| 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 | 43.8 | Very low | 46.4 | Very low | 251 Ų | 251 | 137.7 Ų | 137.7 | 100% | 1.236 | 88% | 0.876 | S | S | * | * | 0 | 125.9 | 0 | -68.1 | 178.4 | -175.2 | 0 | 0 | 107.7 | |||||
| 2 | G | 45.2 | Very low | 46.4 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 85% | 0.845 | 88% | 0.875 | S | S | * | * | trans | 81.6 | 108.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3 | F | 47 | Very low | 46.2 | Very low | 216 Ų | 216 | 139.2 Ų | 139.2 | 95% | 0.947 | 88% | 0.875 | S | S | * | * | trans | -73.2 | 171.6 | 170.2 | -90.6 | -89.7 | 0 | 0 | 0 | 113.5 | ||||
| 4 | P | 50.3 | Low | 46.2 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 86% | 0.863 | S | S | * | * | trans | -113.1 | -160.9 | -147.7 | 46.4 | -40.7 | 0 | 0 | 0 | 114.8 | ||||
| 5 | A | 46.2 | Very low | 46.2 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 86% | 0.857 | S | S | * | * | trans | 118.7 | 120.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 6 | A | 47.2 | Very low | 46.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | 178 | 117.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 7 | A | 46.3 | Very low | 46.5 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | trans | 65.1 | 121.9 | 134.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 8 | L | 45.5 | Very low | 46.7 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 85% | 0.854 | S | S | * | * | trans | -64.4 | 166.7 | 163.7 | -79.7 | 90.5 | 0 | 0 | 0 | 114 | ||||
| 9 | L | 43.6 | Very low | 46.6 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 85% | 0.851 | S | S | * | * | trans | 93.4 | 95.1 | 152.8 | -65.8 | 128.8 | 0 | 0 | 0 | 118.3 | ||||
| 10 | C | 47.1 | Very low | 46.7 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 91% | 0.912 | 85% | 0.848 | S | S | * | * | trans | -169.3 | 109.6 | 141.8 | -110 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | A | 48.2 | Very low | 46.6 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | trans | 173.9 | 75.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | C13 | A11-C13 PolarHBondContact O-N 3.5Š| ||
| 12 | L | 46.3 | Very low | 46.3 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | trans | -75.6 | 109.2 | 150.9 | -91.5 | 94.8 | 0 | 0 | 0 | 107.3 | ||||
| 13 | C | 43.6 | Very low | 46.1 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | -97.8 | 90.1 | 161.2 | -89.8 | 0 | 0 | 0 | 0 | 108.8 | A11 G15 | A11-C13 PolarHBondContact O-N 3.5Å; C13-G15 PolarHBondContact O-N 3.22Å | ||
| 14 | C | 47 | Very low | 45.4 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | trans | -69.2 | 101.5 | 163 | -75.4 | 0 | 0 | 0 | 0 | 109.5 | L16 | C14-L16 PolarHBondContact O-N 3.28Š| ||
| 15 | G | 46.2 | Very low | 44.8 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 98 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | C13 L17 | C13-G15 PolarHBondContact O-N 3.22Å; G15-L17 PolarHBondContact O-N 3.28Å | ||
| 16 | L | 48.3 | Very low | 44.5 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -63.2 | 111.1 | 174.3 | -75.4 | 150.2 | 0 | 0 | 0 | 110.8 | C14 | C14-L16 PolarHBondContact O-N 3.28Š| ||
| 17 | L | 48 | Very low | 44.5 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -112.2 | 92.7 | 156.7 | -76.9 | 169.1 | 0 | 0 | 0 | 107.3 | G15 | G15-L17 PolarHBondContact O-N 3.28Š| ||
| 18 | A | 50.7 | Low | 45 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 124.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 19 | P | 45.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 130.5 | 173.6 | 30 | -30 | 0 | 0 | 0 | 108.7 | A21 | P19-A21 PolarHBondContact O-N 3.02Å; P19-A21 VanDerWaalsContact O-N 3.08Å |
| 20 | A | 49.4 | Very low | 48.5 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R22 | A20-R22 PolarHBondContact O-N 3.08Š|
| 21 | A | 43.7 | Very low | 50.7 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -58.1 | 110.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P19 A23 | P19-A21 PolarHBondContact O-N 3.02Å; P19-A21 VanDerWaalsContact O-N 3.08Å; A21-A23 PolarHBondContact O-N 3.07Å; A21-A23 VanDerWaalsContact O-N 3.07Å | ||
| 22 | R | 37.3 | Very low | 53 | Low | 243 Ų | 243 | 119.3 Ų | 119.3 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 108 | 168.5 | -74.4 | -174.2 | 164.9 | 109.9 | -2.1 | 107.3 | A20 G24 | A20-R22 PolarHBondContact O-N 3.08Å; R22-G24 PolarHBondContact O-N 3.03Å | ||
| 23 | A | 41.4 | Very low | 55.3 | Low | 90 Ų | 90 | 118 Ų | 118 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | trans | -58.7 | 109.3 | 163 | 0 | 0 | 0 | 0 | 0 | 107.3 | A21 Y25 | A21-A23 PolarHBondContact O-N 3.07Å; A21-A23 VanDerWaalsContact O-N 3.07Å; A23-Y25 PolarHBondContact O-N 3.09Å; A23-Y25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | G | 33.1 | Very low | 57.6 | Low | 72 Ų | 72 | 112.5 Ų | 112.5 | 74% | 0.742 | 65% | 0.653 | S | S | * | * | trans | -59.7 | 113.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | R22 S26 | R22-G24 PolarHBondContact O-N 3.03Å; G24-S26 VanDerWaalsContact C-N 3.26Å; G24-S26 PolarHBondContact O-N 2.91Å | ||
| 25 | Y | 37.9 | Very low | 59.8 | Low | 189 Ų | 189 | 109.3 Ų | 109.3 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | -65.2 | 90.6 | 166 | -100.5 | -75.1 | 0 | 0 | 0 | 107.6 | A23 R29 | A23-Y25 PolarHBondContact O-N 3.09Å; A23-Y25 VanDerWaalsContact O-N 3.09Å; Y25-R29 VanDerWaalsContact CD1-CZ 3.46Å | ||
| 26 | S | 39.8 | Very low | 61.9 | Low | 86 Ų | 86 | 105.7 Ų | 105.7 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | trans | -69.1 | 133.9 | 171.6 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | G24 E28 | G24-S26 VanDerWaalsContact C-N 3.26Å; G24-S26 PolarHBondContact O-N 2.91Å; S26-E28 PolarHBondContact O-N 2.64Å | ||
| 27 | E | 45.5 | Very low | 63.7 | Low | 193 Ų | 193 | 103.9 Ų | 103.9 | 90% | 0.902 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -67.3 | -8.9 | -177.4 | -73.5 | -156 | 139.5 | 0 | 0 | 114.1 | R29 | E27-R29 PolarHBondContact O-N 3.31Š|
| 28 | E | 57.1 | Low | 65.5 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | trans | -94.2 | 68.6 | 177.5 | -57 | -170 | 166.9 | 0 | 0 | 111.2 | S26 C30 S31 | S26-E28 PolarHBondContact O-N 2.64Å; E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.98Å; E28-S31 VanDerWaalsContact CB-O 3.31Å; E28-S31 WeakPolarHBondContact CB-O 3.19Å | ||
| 29 | R | 73 | Confident | 67 | Low | 139 Ų | 139 | 99 Ų | 99 | 53% | 0.525 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -74.9 | -15.9 | -177.5 | -65.9 | -167 | -167.7 | -164.6 | 10.4 | 114.9 | Y25 E27 A50 | Y25-R29 VanDerWaalsContact CD1-CZ 3.46Å; E27-R29 PolarHBondContact O-N 3.31Å; R29-A50 PolarHBondContact O-N 3.06Å |
| 30 | C | 90.3 | Very high | 68.9 | Low | 52 Ų | 52 | 100 Ų | 100 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -104.5 | -38.1 | -175.9 | -56 | 0 | 0 | 0 | 0 | 112.4 | E28 C51 G54 F148 | E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.98Å; C30-C51 WeakPolarHBondContact CA-SG 3.11Å; C30-C51 HydrophobicContact CB-CB 3.49Å; C30-C51 VanDerWaalsContact CB-CB 3.49Å; C30-C51 WeakPolarHBondContact CB-SG 3.32Å; C30-C51 WeakPolarHBondContact SG-CB 3.39Å; C30-C51 CovalentContact SG-SG 2.03Å; C30-C51 PolarHBondContact SG-SG 2.85Å; C30-G54 WeakPolarHBondContact O-CA 3.38Å; C30-F148 WeakPolarHBondContact O-CE1 3.27Å; C30-F148 WeakPolarHBondContact O-CZ 2.99Å |
| 31 | S | 94.1 | Very high | 70.5 | Confident | 48 Ų | 48 | 101.4 Ų | 101.4 | 34% | 0.336 | 55% | 0.546 | S | S | . | . | trans | -118.8 | 153 | -178.9 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | E28 A55 | E28-S31 VanDerWaalsContact CB-O 3.31Å; E28-S31 WeakPolarHBondContact CB-O 3.19Å; S31-A55 CarbonylContact C-O 3.5Å; S31-A55 WeakPolarHBondContact CA-O 3.28Å; S31-A55 WeakPolarHBondContact CB-O 3.31Å; S31-A55 PolarHBondContact OG-N 3.3Å | ||
| 32 | W | 94.9 | Very high | 72.4 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 21% | 0.212 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.2 | 175.9 | 175.2 | 86 | 0 | 0 | 0 | 110.5 | G34 L47 L49 A55 V56 E57 W58 L65 | W32-G34 VanDerWaalsContact CZ2-CA 3.47Å; W32-L47 HydrophobicContact CD2-CD1 3.53Å; W32-L47 HydrophobicContact CD2-CD2 4.23Å; W32-L47 HydrophobicContact CE3-CD1 3.78Å; W32-L47 HydrophobicContact CG-CD1 4.01Å; W32-L47 HydrophobicContact CG-CD2 4.23Å; W32-L47 HydrophobicContact CH2-CD1 4.06Å; W32-L47 HydrophobicContact CZ2-CD1 3.85Å; W32-L47 HydrophobicContact CZ2-CD2 4.19Å; W32-L47 HydrophobicContact CZ3-CD1 4.04Å; W32-L49 HydrophobicContact CB-CD1 4.41Å; W32-L49 HydrophobicContact CB-CD2 4.14Å; W32-A55 PolarHBondContact N-O 3.19Å; W32-V56 HydrophobicContact CE3-CG1 3.88Å; W32-V56 HydrophobicContact CZ3-CG1 4.24Å; W32-V56 CarbonylContact O-C 3.52Å; W32-V56 WeakPolarHBondContact O-CA 3.24Å; W32-E57 PolarHBondContact O-N 3.12Å; W32-W58 HydrophobicContact CH2-CB 4.42Å; W32-W58 AromaticContact CH2-CD1 3.65Å; W32-W58 HydrophobicContact CH2-CG 4.12Å; W32-W58 HydrophobicContact CZ3-CB 3.88Å; W32-W58 HydrophobicContact CZ3-CG 4.05Å; W32-L65 HydrophobicContact CH2-CD1 3.53Å; W32-L65 HydrophobicContact CZ2-CD1 4.39Å; W32-L65 HydrophobicContact CZ3-CD1 3.74Å |
| 33 | R | 95.1 | Very high | 74.7 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.2 | 169.5 | -179.9 | 171.8 | 168 | 143.3 | -14.7 | 109.5 | E57 L59 | R33-E57 WeakPolarHBondContact CA-O 3.32Å; R33-E57 HydrophobicContact CB-CB 4.17Å; R33-E57 HydrophobicContact CG-CB 3.99Å; R33-E57 IonicContact CZ-OE2 2.76Å; R33-E57 IonicContact NE-OE2 3.02Å; R33-E57 IonicContact NH1-OE2 3.76Å; R33-E57 PolarHBondContact NH1-OE2 2.78Å; R33-L59 HydrophobicContact CG-CD1 4.39Å |
| 34 | G | 93 | Very high | 77.2 | Confident | 16 Ų | 16 | 89.9 Ų | 89.9 | 17% | 0.165 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W32 E57 L59 | W32-G34 VanDerWaalsContact CZ2-CA 3.47Å; G34-E57 PolarHBondContact N-O 3.27Å; G34-E57 VanDerWaalsContact N-O 3.08Å; G34-L59 PolarHBondContact O-N 3.23Å |
| 35 | S | 92.7 | Very high | 80.1 | Confident | 36 Ų | 36 | 87.4 Ų | 87.4 | 25% | 0.252 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.7 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | L37 T38 L59 | S35-L37 VanDerWaalsContact C-N 3.28Å; S35-L37 PolarHBondContact OG-N 3.25Å; S35-T38 PolarHBondContact O-OG1 3.3Å; S35-T38 VanDerWaalsContact O-OG1 3.11Å; S35-L59 CarbonylContact C-O 3.42Å; S35-L59 VanDerWaalsContact CA-O 3.24Å; S35-L59 WeakPolarHBondContact CA-O 3.41Å |
| 36 | G | 90.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.01 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -72.7 | -19.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T38 Q39 L59 Y60 | G36-T38 PolarHBondContact O-N 3.11Å; G36-Q39 VanDerWaalsContact O-CB 3.28Å; G36-Q39 WeakPolarHBondContact O-CB 3.39Å; G36-Q39 PolarHBondContact O-N 2.8Å; G36-Q39 VanDerWaalsContact O-N 3.12Å; G36-L59 PolarHBondContact N-O 3.18Å; G36-Y60 VanDerWaalsContact CA-O 3.26Å; G36-Y60 WeakPolarHBondContact CA-O 3.39Å; G36-Y60 PolarHBondContact N-O 3.41Å |
| 37 | L | 85.7 | Confident | 85.1 | Confident | 125 Ų | 125 | 81.4 Ų | 81.4 | 65% | 0.654 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -69 | -18.9 | -177.6 | -59 | 177.1 | 0 | 0 | 0 | 113.9 | S35 Q39 Y60 | S35-L37 VanDerWaalsContact C-N 3.28Å; S35-L37 PolarHBondContact OG-N 3.25Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Y60 HydrophobicContact CD1-CD1 4.27Å; L37-Y60 HydrophobicContact CD1-CD2 4.01Å; L37-Y60 HydrophobicContact CD1-CG 3.8Å; L37-Y60 HydrophobicContact CG-CG 4.11Å |
| 38 | T | 84.9 | Confident | 87.3 | Confident | 123 Ų | 123 | 76 Ų | 76 | 76% | 0.755 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -90.1 | 0.9 | 177.1 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | S35 G36 | S35-T38 PolarHBondContact O-OG1 3.3Å; S35-T38 VanDerWaalsContact O-OG1 3.11Å; G36-T38 PolarHBondContact O-N 3.11Å |
| 39 | Q | 82.8 | Confident | 89 | Confident | 37 Ų | 37 | 70.6 Ų | 70.6 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -90.4 | 134.7 | -176.4 | -174.8 | 169.7 | -3.7 | 0 | 0 | 110.9 | G36 L37 S43 A62 A64 | G36-Q39 VanDerWaalsContact O-CB 3.28Å; G36-Q39 WeakPolarHBondContact O-CB 3.39Å; G36-Q39 PolarHBondContact O-N 2.8Å; G36-Q39 VanDerWaalsContact O-N 3.12Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; Q39-S43 WeakPolarHBondContact CG-OG 3.41Å; Q39-S43 PolarHBondContact NE2-O 2.87Å; Q39-A62 PolarHBondContact OE1-O 2.77Å; Q39-A64 PolarHBondContact NE2-O 2.89Å |
| 40 | E | 85.6 | Confident | 89.7 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 68% | 0.678 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 131.2 | 175.8 | -72.6 | -62.6 | 156 | 0 | 0 | 110.6 | G42 S43 | E40-G42 PolarHBondContact O-N 3.02Å; E40-S43 VanDerWaalsContact O-CB 3.27Å; E40-S43 WeakPolarHBondContact O-CB 3.34Å; E40-S43 PolarHBondContact O-N 2.79Å; E40-S43 PolarHBondContact O-OG 2.03Å |
| 41 | P | 82 | Confident | 89.7 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 81% | 0.812 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 130.3 | 178.2 | -26.8 | 34.8 | 0 | 0 | 0 | 112.1 | S43 | P41-S43 PolarHBondContact O-N 2.82Š|
| 42 | G | 83.3 | Confident | 89.5 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 85% | 0.845 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -5.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E40 | E40-G42 PolarHBondContact O-N 3.02Š|
| 43 | S | 87.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | trans | -79.1 | 158.2 | 172.1 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | Q39 E40 P41 | Q39-S43 WeakPolarHBondContact CG-OG 3.41Å; Q39-S43 PolarHBondContact NE2-O 2.87Å; E40-S43 VanDerWaalsContact O-CB 3.27Å; E40-S43 WeakPolarHBondContact O-CB 3.34Å; E40-S43 PolarHBondContact O-N 2.79Å; E40-S43 PolarHBondContact O-OG 2.03Å; P41-S43 PolarHBondContact O-N 2.82Å | ||
| 44 | V | 93.1 | Very high | 89.3 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 38% | 0.376 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.6 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | A64 R66 F130 | V44-A64 WeakPolarHBondContact CA-O 3.35Å; V44-A64 HydrophobicContact CG1-CB 4.28Å; V44-A64 HydrophobicContact CG2-CB 4.31Å; V44-R66 HydrophobicContact CG1-CB 3.91Å; V44-F130 HydrophobicContact CG1-CE2 4.05Å; V44-F130 HydrophobicContact CG2-CE2 4.46Å |
| 45 | G | 92.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A64 L65 R66 | G45-A64 PolarHBondContact N-O 3.13Å; G45-L65 CarbonylContact O-C 3.55Å; G45-L65 WeakPolarHBondContact O-CA 3.06Å; G45-R66 PolarHBondContact O-N 3.27Å |
| 46 | Q | 92.5 | Very high | 89.6 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.1 | 179.5 | -60.9 | -67.4 | -44.2 | 0 | 0 | 109.5 | ||
| 47 | L | 92 | Very high | 89.9 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.6 | 177.4 | -60.4 | 175.8 | 0 | 0 | 0 | 109.8 | W32 L65 R66 L67 T68 | W32-L47 HydrophobicContact CD2-CD1 3.53Å; W32-L47 HydrophobicContact CD2-CD2 4.23Å; W32-L47 HydrophobicContact CE3-CD1 3.78Å; W32-L47 HydrophobicContact CG-CD1 4.01Å; W32-L47 HydrophobicContact CG-CD2 4.23Å; W32-L47 HydrophobicContact CH2-CD1 4.06Å; W32-L47 HydrophobicContact CZ2-CD1 3.85Å; W32-L47 HydrophobicContact CZ2-CD2 4.19Å; W32-L47 HydrophobicContact CZ3-CD1 4.04Å; L47-L65 HydrophobicContact CD1-CD1 3.95Å; L47-L65 HydrophobicContact CD1-CD2 4.44Å; L47-R66 PolarHBondContact N-O 2.76Å; L47-L67 HydrophobicContact CB-CD1 3.83Å; L47-L67 CarbonylContact O-C 3.5Å; L47-L67 WeakPolarHBondContact O-CA 3.3Å; L47-T68 PolarHBondContact O-N 3.17Å |
| 48 | A | 91.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 66% | 0.661 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T68 | A48-T68 WeakPolarHBondContact CA-O 3.26Å |
| 49 | L | 92.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 116.7 | 177.6 | -65 | 178.6 | 0 | 0 | 0 | 108.6 | W32 V56 L67 T68 L69 G70 F148 | W32-L49 HydrophobicContact CB-CD1 4.41Å; W32-L49 HydrophobicContact CB-CD2 4.14Å; L49-V56 HydrophobicContact CD1-CG2 3.9Å; L49-L67 HydrophobicContact CB-CD1 4.19Å; L49-L67 HydrophobicContact CD1-CD1 3.72Å; L49-L67 HydrophobicContact CD1-CD2 4.36Å; L49-L67 HydrophobicContact CG-CD1 3.66Å; L49-T68 PolarHBondContact N-O 3.11Å; L49-L69 HydrophobicContact CB-CD2 4.48Å; L49-L69 CarbonylContact O-C 3.51Å; L49-G70 PolarHBondContact O-N 2.78Å; L49-F148 HydrophobicContact CB-CE1 4.42Å; L49-F148 HydrophobicContact CB-CZ 4.01Å; L49-F148 HydrophobicContact CD1-CE1 3.57Å; L49-F148 HydrophobicContact CD1-CZ 4.02Å |
| 50 | A | 88.3 | Confident | 91.3 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | trans | -87.5 | -17.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R29 | R29-A50 PolarHBondContact O-N 3.06Š| ||
| 51 | C | 90.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -77.6 | 159.5 | -172.5 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | C30 E53 | C30-C51 WeakPolarHBondContact CA-SG 3.11Å; C30-C51 HydrophobicContact CB-CB 3.49Å; C30-C51 VanDerWaalsContact CB-CB 3.49Å; C30-C51 WeakPolarHBondContact CB-SG 3.32Å; C30-C51 WeakPolarHBondContact SG-CB 3.39Å; C30-C51 CovalentContact SG-SG 2.03Å; C30-C51 PolarHBondContact SG-SG 2.85Å; C51-E53 VanDerWaalsContact C-N 3.28Å; C51-E53 WeakPolarHBondContact CB-O 3.38Å |
| 52 | A | 88.9 | Confident | 92.2 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -73.8 | -19.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E149 L150 | A52-E149 CarbonylContact O-C 3.54Å; A52-E149 WeakPolarHBondContact O-CA 3.26Å; A52-L150 PolarHBondContact O-N 2.83Å |
| 53 | E | 91.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 43.6 Ų | 43.6 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149 | 175.6 | -171.9 | -173.9 | 165.5 | 0 | 0 | 109.3 | C51 R147 F148 E149 | C51-E53 VanDerWaalsContact C-N 3.28Å; C51-E53 WeakPolarHBondContact CB-O 3.38Å; E53-R147 IonicContact OE1-CZ 2.73Å; E53-R147 IonicContact OE1-NE 2.79Å; E53-R147 IonicContact OE1-NH2 3.06Å; E53-R147 PolarHBondContact OE1-NH2 2.71Å; E53-F148 WeakPolarHBondContact CA-O 3.49Å; E53-F148 WeakPolarHBondContact CG-O 3.41Å; E53-E149 HydrophobicContact CB-CG 4.41Å; E53-E149 HydrophobicContact CG-CG 3.9Å |
| 54 | G | 94.1 | Very high | 93 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -167.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C30 R147 F148 | C30-G54 WeakPolarHBondContact O-CA 3.38Å; G54-R147 WeakPolarHBondContact O-CA 3.43Å; G54-F148 PolarHBondContact N-O 3.08Å; G54-F148 VanDerWaalsContact N-O 3.13Å; G54-F148 WeakPolarHBondContact O-CD1 3.27Å; G54-F148 PolarHBondContact O-N 2.88Å |
| 55 | A | 95.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 21% | 0.207 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | S31 W32 F146 R147 | S31-A55 CarbonylContact C-O 3.5Å; S31-A55 WeakPolarHBondContact CA-O 3.28Å; S31-A55 WeakPolarHBondContact CB-O 3.31Å; S31-A55 PolarHBondContact OG-N 3.3Å; W32-A55 PolarHBondContact N-O 3.19Å; A55-F146 WeakPolarHBondContact CA-O 3.34Å; A55-R147 HydrophobicContact CB-CG 4.24Å |
| 56 | V | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.2 | 174.2 | 178 | 0 | 0 | 0 | 0 | 107.2 | W32 L49 L67 L131 A145 F146 | W32-V56 HydrophobicContact CE3-CG1 3.88Å; W32-V56 HydrophobicContact CZ3-CG1 4.24Å; W32-V56 CarbonylContact O-C 3.52Å; W32-V56 WeakPolarHBondContact O-CA 3.24Å; L49-V56 HydrophobicContact CD1-CG2 3.9Å; V56-L67 HydrophobicContact CG2-CD2 3.63Å; V56-L131 HydrophobicContact CG1-CD2 4.21Å; V56-A145 CarbonylContact O-C 3.59Å; V56-A145 WeakPolarHBondContact O-CA 3.5Å; V56-F146 HydrophobicContact CB-CD1 4.39Å; V56-F146 HydrophobicContact CB-CD2 4.45Å; V56-F146 HydrophobicContact CB-CE1 3.97Å; V56-F146 HydrophobicContact CB-CE2 4.03Å; V56-F146 HydrophobicContact CB-CZ 3.78Å; V56-F146 HydrophobicContact CG1-CE1 4.03Å; V56-F146 HydrophobicContact CG1-CZ 4.06Å; V56-F146 HydrophobicContact CG2-CE1 4.48Å; V56-F146 HydrophobicContact CG2-CE2 3.82Å; V56-F146 HydrophobicContact CG2-CZ 3.79Å; V56-F146 PolarHBondContact N-O 3.33Å; V56-F146 PolarHBondContact O-N 2.82Å |
| 57 | E | 96.7 | Very high | 93.3 | Very high | 69 Ų | 69 | 35 Ų | 35 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 101.9 | 173.5 | -74.9 | -176.6 | -136.4 | 0 | 0 | 109.8 | W32 R33 G34 A145 | W32-E57 PolarHBondContact O-N 3.12Å; R33-E57 WeakPolarHBondContact CA-O 3.32Å; R33-E57 HydrophobicContact CB-CB 4.17Å; R33-E57 HydrophobicContact CG-CB 3.99Å; R33-E57 IonicContact CZ-OE2 2.76Å; R33-E57 IonicContact NE-OE2 3.02Å; R33-E57 IonicContact NH1-OE2 3.76Å; R33-E57 PolarHBondContact NH1-OE2 2.78Å; G34-E57 PolarHBondContact N-O 3.27Å; G34-E57 VanDerWaalsContact N-O 3.08Å; E57-A145 HydrophobicContact CG-CB 3.99Å |
| 58 | W | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 103.5 | 177.4 | -164.7 | 14.7 | 0 | 0 | 0 | 110.5 | W32 P61 A62 L65 A92 L131 A133 V143 A144 | W32-W58 HydrophobicContact CH2-CB 4.42Å; W32-W58 AromaticContact CH2-CD1 3.65Å; W32-W58 HydrophobicContact CH2-CG 4.12Å; W32-W58 HydrophobicContact CZ3-CB 3.88Å; W32-W58 HydrophobicContact CZ3-CG 4.05Å; W58-P61 HydrophobicContact CB-CG 4.32Å; W58-P61 HydrophobicContact CD2-CB 3.67Å; W58-P61 HydrophobicContact CD2-CG 3.94Å; W58-P61 HydrophobicContact CE3-CB 3.63Å; W58-P61 HydrophobicContact CE3-CG 4.03Å; W58-P61 HydrophobicContact CG-CB 4.28Å; W58-P61 HydrophobicContact CG-CG 4.07Å; W58-P61 HydrophobicContact CH2-CB 4.07Å; W58-P61 HydrophobicContact CZ2-CB 4.14Å; W58-P61 HydrophobicContact CZ3-CB 3.83Å; W58-P61 WeakPolarHBondContact O-CG 3.16Å; W58-A62 VanDerWaalsContact CZ2-O 3.26Å; W58-A62 WeakPolarHBondContact CZ2-O 3.48Å; W58-L65 HydrophobicContact CB-CD1 4.44Å; W58-L65 HydrophobicContact CD2-CD1 3.38Å; W58-L65 HydrophobicContact CD2-CG 4.05Å; W58-L65 VanDerWaalsContact CE2-CD1 3.45Å; W58-L65 HydrophobicContact CE3-CD1 3.8Å; W58-L65 HydrophobicContact CE3-CG 4.26Å; W58-L65 HydrophobicContact CG-CD1 3.7Å; W58-L65 HydrophobicContact CH2-CD1 4.32Å; W58-L65 HydrophobicContact CH2-CG 3.92Å; W58-L65 HydrophobicContact CZ2-CD1 3.93Å; W58-L65 HydrophobicContact CZ2-CD2 4.3Å; W58-L65 HydrophobicContact CZ2-CG 3.64Å; W58-L65 HydrophobicContact CZ3-CD1 4.26Å; W58-L65 HydrophobicContact CZ3-CG 4.21Å; W58-A92 HydrophobicContact CE3-CB 4.18Å; W58-A92 HydrophobicContact CZ3-CB 4.15Å; W58-L131 HydrophobicContact CE3-CB 4.27Å; W58-L131 HydrophobicContact CE3-CD2 4.38Å; W58-L131 HydrophobicContact CZ3-CB 3.98Å; W58-A133 HydrophobicContact CH2-CB 3.91Å; W58-A133 HydrophobicContact CZ3-CB 4.26Å; W58-V143 WeakPolarHBondContact O-CA 3.49Å; W58-A144 HydrophobicContact CB-CB 4.33Å; W58-A144 PolarHBondContact N-O 2.91Å; W58-A144 PolarHBondContact O-N 2.79Å |
| 59 | L | 94.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.5 | 176.9 | -57.1 | 172.5 | 0 | 0 | 0 | 109.7 | R33 G34 S35 G36 V143 | R33-L59 HydrophobicContact CG-CD1 4.39Å; G34-L59 PolarHBondContact O-N 3.23Å; S35-L59 CarbonylContact C-O 3.42Å; S35-L59 VanDerWaalsContact CA-O 3.24Å; S35-L59 WeakPolarHBondContact CA-O 3.41Å; G36-L59 PolarHBondContact N-O 3.18Å; L59-V143 HydrophobicContact CD2-CB 4.37Å; L59-V143 HydrophobicContact CD2-CG1 3.9Å; L59-V143 HydrophobicContact CD2-CG2 3.57Å |
| 60 | Y | 92.6 | Very high | 93 | Very high | 88 Ų | 88 | 31.8 Ų | 31.8 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 44.2 | 58 | -179.4 | -53.7 | -81.8 | 0 | 0 | 0 | 112.7 | G36 L37 A62 R141 R142 | G36-Y60 VanDerWaalsContact CA-O 3.26Å; G36-Y60 WeakPolarHBondContact CA-O 3.39Å; G36-Y60 PolarHBondContact N-O 3.41Å; L37-Y60 HydrophobicContact CD1-CD1 4.27Å; L37-Y60 HydrophobicContact CD1-CD2 4.01Å; L37-Y60 HydrophobicContact CD1-CG 3.8Å; L37-Y60 HydrophobicContact CG-CG 4.11Å; Y60-A62 PolarHBondContact O-N 2.77Å; Y60-R141 HydrophobicContact CE1-CB 3.99Å; Y60-R141 HydrophobicContact CE1-CG 4.12Å; Y60-R142 PolarHBondContact N-O 3.42Å |
| 61 | P | 94 | Very high | 92.2 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | trans | -51.1 | 129.8 | -177.9 | -28.6 | 37 | 0 | 0 | 0 | 112.2 | W58 G91 A133 R142 A144 | W58-P61 HydrophobicContact CB-CG 4.32Å; W58-P61 HydrophobicContact CD2-CB 3.67Å; W58-P61 HydrophobicContact CD2-CG 3.94Å; W58-P61 HydrophobicContact CE3-CB 3.63Å; W58-P61 HydrophobicContact CE3-CG 4.03Å; W58-P61 HydrophobicContact CG-CB 4.28Å; W58-P61 HydrophobicContact CG-CG 4.07Å; W58-P61 HydrophobicContact CH2-CB 4.07Å; W58-P61 HydrophobicContact CZ2-CB 4.14Å; W58-P61 HydrophobicContact CZ3-CB 3.83Å; W58-P61 WeakPolarHBondContact O-CG 3.16Å; P61-G91 VanDerWaalsContact CB-O 3.25Å; P61-G91 WeakPolarHBondContact CB-O 3.37Å; P61-A133 VanDerWaalsContact C-CB 3.49Å; P61-A133 HydrophobicContact CB-CB 3.74Å; P61-R142 WeakPolarHBondContact CD-O 3.04Å; P61-A144 HydrophobicContact CG-CB 3.94Å | ||
| 62 | A | 91.9 | Very high | 91 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 31% | 0.314 | 23% | 0.226 | S | C | . | . | trans | -146 | 136.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q39 W58 Y60 | Q39-A62 PolarHBondContact OE1-O 2.77Å; W58-A62 VanDerWaalsContact CZ2-O 3.26Å; W58-A62 WeakPolarHBondContact CZ2-O 3.48Å; Y60-A62 PolarHBondContact O-N 2.77Å | ||
| 63 | G | 92.8 | Very high | 89.8 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 70 | -128.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A133 | G63-A133 WeakPolarHBondContact O-CB 3.45Å; G63-A133 PolarHBondContact O-N 2.84Å |
| 64 | A | 95.2 | Very high | 87.9 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | Q39 V44 G45 F130 L131 | Q39-A64 PolarHBondContact NE2-O 2.89Å; V44-A64 WeakPolarHBondContact CA-O 3.35Å; V44-A64 HydrophobicContact CG1-CB 4.28Å; V44-A64 HydrophobicContact CG2-CB 4.31Å; G45-A64 PolarHBondContact N-O 3.13Å; A64-F130 HydrophobicContact CB-CE1 4.09Å; A64-F130 HydrophobicContact CB-CE2 3.68Å; A64-F130 HydrophobicContact CB-CZ 3.35Å; A64-L131 CarbonylContact C-O 3.51Å; A64-L131 WeakPolarHBondContact CA-O 3.39Å; A64-L131 WeakPolarHBondContact CB-O 3.38Å |
| 65 | L | 95.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.2 | 170.3 | -60.2 | 173.2 | 0 | 0 | 0 | 110.2 | W32 G45 L47 W58 L131 | W32-L65 HydrophobicContact CH2-CD1 3.53Å; W32-L65 HydrophobicContact CZ2-CD1 4.39Å; W32-L65 HydrophobicContact CZ3-CD1 3.74Å; G45-L65 CarbonylContact O-C 3.55Å; G45-L65 WeakPolarHBondContact O-CA 3.06Å; L47-L65 HydrophobicContact CD1-CD1 3.95Å; L47-L65 HydrophobicContact CD1-CD2 4.44Å; W58-L65 HydrophobicContact CB-CD1 4.44Å; W58-L65 HydrophobicContact CD2-CD1 3.38Å; W58-L65 HydrophobicContact CD2-CG 4.05Å; W58-L65 VanDerWaalsContact CE2-CD1 3.45Å; W58-L65 HydrophobicContact CE3-CD1 3.8Å; W58-L65 HydrophobicContact CE3-CG 4.26Å; W58-L65 HydrophobicContact CG-CD1 3.7Å; W58-L65 HydrophobicContact CH2-CD1 4.32Å; W58-L65 HydrophobicContact CH2-CG 3.92Å; W58-L65 HydrophobicContact CZ2-CD1 3.93Å; W58-L65 HydrophobicContact CZ2-CD2 4.3Å; W58-L65 HydrophobicContact CZ2-CG 3.64Å; W58-L65 HydrophobicContact CZ3-CD1 4.26Å; W58-L65 HydrophobicContact CZ3-CG 4.21Å; L65-L131 HydrophobicContact CB-CB 4.23Å; L65-L131 PolarHBondContact N-O 2.92Å; L65-L131 PolarHBondContact O-N 3.21Å |
| 66 | R | 95.2 | Very high | 84.7 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.6 | 169.5 | -176 | 170.3 | -171.4 | -83.9 | -7.1 | 108.9 | V44 G45 L47 E97 L129 | V44-R66 HydrophobicContact CG1-CB 3.91Å; G45-R66 PolarHBondContact O-N 3.27Å; L47-R66 PolarHBondContact N-O 2.76Å; R66-E97 VanDerWaalsContact CD-OE1 3.27Å; R66-E97 WeakPolarHBondContact CD-OE1 3.39Å; R66-E97 WeakPolarHBondContact CG-OE1 3.46Å; R66-E97 IonicContact CZ-OE1 2.91Å; R66-E97 IonicContact CZ-OE2 3.96Å; R66-E97 VanDerWaalsContact NE-CD 3.32Å; R66-E97 IonicContact NE-OE1 3.14Å; R66-E97 PolarHBondContact NE-OE1 3.38Å; R66-E97 IonicContact NE-OE2 2.78Å; R66-E97 PolarHBondContact NE-OE2 2.73Å; R66-E97 IonicContact NH2-OE1 3.86Å; R66-E97 IonicContact NH2-OE2 3.67Å; R66-E97 PolarHBondContact NH2-OE2 3.06Å; R66-L129 CarbonylContact C-O 3.44Å; R66-L129 WeakPolarHBondContact CA-O 3.49Å |
| 67 | L | 94.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.4 | -177.5 | 171.3 | 61.4 | 0 | 0 | 0 | 110.4 | L47 L49 V56 L69 A128 L129 L131 F146 | L47-L67 HydrophobicContact CB-CD1 3.83Å; L47-L67 CarbonylContact O-C 3.5Å; L47-L67 WeakPolarHBondContact O-CA 3.3Å; L49-L67 HydrophobicContact CB-CD1 4.19Å; L49-L67 HydrophobicContact CD1-CD1 3.72Å; L49-L67 HydrophobicContact CD1-CD2 4.36Å; L49-L67 HydrophobicContact CG-CD1 3.66Å; V56-L67 HydrophobicContact CG2-CD2 3.63Å; L67-L69 HydrophobicContact CD1-CD2 4.25Å; L67-L69 HydrophobicContact CD2-CD2 3.88Å; L67-L69 HydrophobicContact CG-CD2 3.9Å; L67-L69 HydrophobicContact CG-CG 4.45Å; L67-A128 CarbonylContact O-C 3.57Å; L67-A128 WeakPolarHBondContact O-CA 3.43Å; L67-L129 HydrophobicContact CB-CB 4.35Å; L67-L129 HydrophobicContact CD2-CD1 4.33Å; L67-L129 PolarHBondContact N-O 2.99Å; L67-L129 PolarHBondContact O-N 2.78Å; L67-L131 HydrophobicContact CB-CD1 4.02Å; L67-F146 HydrophobicContact CD2-CE2 4.48Å; L67-F146 HydrophobicContact CD2-CZ 4.19Å |
| 68 | T | 92.7 | Very high | 82.7 | Confident | 39 Ų | 39 | 52 Ų | 52 | 24% | 0.239 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.4 | 171 | -55.1 | 0 | 0 | 0 | 0 | 110 | L47 A48 L49 | L47-T68 PolarHBondContact O-N 3.17Å; A48-T68 WeakPolarHBondContact CA-O 3.26Å; L49-T68 PolarHBondContact N-O 3.11Å |
| 69 | L | 91.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.3 | 179.6 | -61.2 | 178.7 | 0 | 0 | 0 | 111.7 | L49 L67 A81 R127 L129 F148 L150 | L49-L69 HydrophobicContact CB-CD2 4.48Å; L49-L69 CarbonylContact O-C 3.51Å; L67-L69 HydrophobicContact CD1-CD2 4.25Å; L67-L69 HydrophobicContact CD2-CD2 3.88Å; L67-L69 HydrophobicContact CG-CD2 3.9Å; L67-L69 HydrophobicContact CG-CG 4.45Å; L69-A81 HydrophobicContact CD1-CB 3.8Å; L69-R127 HydrophobicContact CB-CB 4.38Å; L69-R127 PolarHBondContact N-O 2.82Å; L69-R127 WeakPolarHBondContact O-CB 3.35Å; L69-R127 PolarHBondContact O-NE 2.94Å; L69-R127 VanDerWaalsContact O-NE 3.11Å; L69-L129 HydrophobicContact CD1-CD1 3.8Å; L69-L129 HydrophobicContact CD1-CG 4.21Å; L69-L129 HydrophobicContact CG-CD1 4.42Å; L69-F148 HydrophobicContact CD1-CD2 4.5Å; L69-F148 HydrophobicContact CD2-CD1 4.32Å; L69-F148 HydrophobicContact CD2-CD2 3.95Å; L69-F148 HydrophobicContact CD2-CE1 4.36Å; L69-F148 HydrophobicContact CD2-CE2 3.99Å; L69-F148 HydrophobicContact CD2-CG 4.12Å; L69-F148 HydrophobicContact CD2-CZ 4.2Å; L69-L150 HydrophobicContact CB-CD2 4.41Å |
| 70 | G | 84.6 | Confident | 81.8 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 82.3 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L49 | L49-G70 PolarHBondContact O-N 2.78Š|
| 71 | G | 71.7 | Confident | 81.7 | Confident | 32 Ų | 32 | 47 Ų | 47 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | trans | -66.6 | 160.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D73 R127 | G71-D73 PolarHBondContact O-N 2.78Å; G71-R127 PolarHBondContact O-NH2 2.8Å | ||
| 72 | P | 64.6 | Low | 81.6 | Confident | 136 Ų | 136 | 46.6 Ų | 46.6 | 88% | 0.883 | 26% | 0.264 | S | S | * | . | trans | -73.2 | 20.6 | -177.7 | 32.6 | -37.5 | 0 | 0 | 0 | 114.2 | P74 | P72-P74 WeakPolarHBondContact O-CD 3.38Å; P72-P74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | D | 64.6 | Low | 81.6 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | trans | -55.5 | 117.5 | -169.3 | -177.8 | 4.7 | 0 | 0 | 0 | 111.7 | G71 R75 A76 | G71-D73 PolarHBondContact O-N 2.78Å; D73-R75 PolarHBondContact O-N 2.83Å; D73-R75 VanDerWaalsContact O-N 3.13Å; D73-R75 PolarHBondContact OD1-N 2.97Å; D73-A76 WeakPolarHBondContact O-CB 3.37Å; D73-A76 PolarHBondContact O-N 3.13Å | ||
| 74 | P | 51.4 | Low | 81.6 | Confident | 127 Ų | 127 | 45 Ų | 45 | 83% | 0.825 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.9 | 178.2 | 25.7 | -34.3 | 0 | 0 | 0 | 113.5 | P72 A76 | P72-P74 WeakPolarHBondContact O-CD 3.38Å; P72-P74 VanDerWaalsContact O-N 3.14Å; P74-A76 VanDerWaalsContact C-N 3.31Å |
| 75 | R | 60.8 | Low | 81.4 | Confident | 212 Ų | 212 | 45.2 Ų | 45.2 | 80% | 0.8 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 12.2 | 172.6 | -61.5 | -169.2 | -176.6 | -147.4 | 2 | 113.5 | D73 R77 | D73-R75 PolarHBondContact O-N 2.83Å; D73-R75 VanDerWaalsContact O-N 3.13Å; D73-R75 PolarHBondContact OD1-N 2.97Å; R75-R77 PolarHBondContact O-N 2.91Å |
| 76 | A | 62.6 | Low | 81.2 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | trans | -24.4 | 94.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D73 P74 R124 | D73-A76 WeakPolarHBondContact O-CB 3.37Å; D73-A76 PolarHBondContact O-N 3.13Å; P74-A76 VanDerWaalsContact C-N 3.31Å; A76-R124 PolarHBondContact O-N 2.86Å | ||
| 77 | R | 73.2 | Confident | 80.9 | Confident | 147 Ų | 147 | 52.7 Ų | 52.7 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | trans | -59.4 | 154 | 173.4 | -72.6 | 175.2 | 174.5 | 179.5 | -3.4 | 108.4 | R75 G79 E152 | R75-R77 PolarHBondContact O-N 2.91Å; R77-G79 PolarHBondContact O-N 2.86Å; R77-E152 VanDerWaalsContact CD-OE2 3.31Å; R77-E152 WeakPolarHBondContact CD-OE2 3.43Å; R77-E152 IonicContact CZ-OE2 2.76Å; R77-E152 IonicContact NH1-OE2 3.33Å; R77-E152 PolarHBondContact NH1-OE2 3.02Å | ||
| 78 | P | 77.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | trans | -44.1 | 137 | 166.8 | -28.7 | 38.1 | 0 | 0 | 0 | 110 | W121 P123 D153 P156 | P78-W121 WeakPolarHBondContact CA-O 3.48Å; P78-P123 HydrophobicContact CG-CB 4.23Å; P78-P123 HydrophobicContact CG-CG 3.71Å; P78-D153 HydrophobicContact CB-CB 3.83Å; P78-D153 WeakPolarHBondContact O-CB 3.17Å; P78-D153 PolarHBondContact O-N 2.95Å; P78-P156 HydrophobicContact CB-CB 4.14Å; P78-P156 HydrophobicContact CG-CB 3.82Å; P78-P156 HydrophobicContact CG-CG 4.16Å | ||
| 79 | G | 83.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R77 R120 W121 R151 | R77-G79 PolarHBondContact O-N 2.86Å; G79-R120 WeakPolarHBondContact O-CA 3.37Å; G79-W121 PolarHBondContact N-O 3.35Å; G79-W121 VanDerWaalsContact N-O 3.11Å; G79-W121 PolarHBondContact O-N 3.34Å; G79-R151 WeakPolarHBondContact CA-O 3.49Å |
| 80 | I | 87.7 | Confident | 80.5 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.4 | 173.9 | -60 | 163.6 | 0 | 0 | 0 | 106.9 | C118 V119 R120 L150 R151 D153 H163 L165 | I80-C118 HydrophobicContact CG2-CB 4.5Å; I80-V119 WeakPolarHBondContact CA-O 3.17Å; I80-R120 HydrophobicContact CG1-CB 4.36Å; I80-R120 HydrophobicContact CG1-CG 4.09Å; I80-L150 WeakPolarHBondContact O-CA 3.42Å; I80-R151 PolarHBondContact N-O 3.31Å; I80-R151 PolarHBondContact O-N 2.73Å; I80-D153 HydrophobicContact CD1-CB 3.99Å; I80-D153 HydrophobicContact CG1-CB 4.08Å; I80-H163 HydrophobicContact CD1-CB 3.91Å; I80-L165 HydrophobicContact CD1-CD1 3.74Å; I80-L165 HydrophobicContact CD1-CG 4.49Å; I80-L165 HydrophobicContact CG1-CD1 3.85Å; I80-L165 HydrophobicContact CG2-CD1 3.9Å; I80-L165 HydrophobicContact CG2-CD2 3.38Å; I80-L165 HydrophobicContact CG2-CG 4.23Å |
| 81 | A | 90.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L69 C118 V119 W121 E149 L150 | L69-A81 HydrophobicContact CD1-CB 3.8Å; A81-C118 CarbonylContact O-C 3.48Å; A81-C118 WeakPolarHBondContact O-CA 3.25Å; A81-V119 PolarHBondContact N-O 3.23Å; A81-V119 PolarHBondContact O-N 3.34Å; A81-W121 HydrophobicContact CB-CH2 4.06Å; A81-W121 HydrophobicContact CB-CZ3 3.53Å; A81-E149 CarbonylContact C-O 3.27Å; A81-E149 VanDerWaalsContact CA-O 3.22Å; A81-E149 WeakPolarHBondContact CA-O 3.33Å; A81-L150 HydrophobicContact CB-CD1 4.27Å |
| 82 | C | 91.3 | Very high | 82.1 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.1 | 168.4 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | R117 C118 F148 E149 R258 F259 | C82-R117 CarbonylContact C-O 3.46Å; C82-R117 WeakPolarHBondContact CA-O 3.38Å; C82-C118 VanDerWaalsContact CA-SG 3.6Å; C82-C118 HydrophobicContact CB-CB 4.07Å; C82-C118 WeakPolarHBondContact CB-SG 3.25Å; C82-C118 WeakPolarHBondContact SG-CB 3.39Å; C82-C118 CovalentContact SG-SG 2.04Å; C82-C118 PolarHBondContact SG-SG 2.86Å; C82-F148 CarbonylContact O-C 3.5Å; C82-F148 VanDerWaalsContact O-CA 3.23Å; C82-F148 WeakPolarHBondContact O-CA 3.18Å; C82-E149 PolarHBondContact N-O 3Å; C82-E149 PolarHBondContact O-N 2.89Å; C82-R258 HydrophobicContact CB-CG 4.26Å; C82-R258 PolarHBondContact SG-NE 2.97Å; C82-R258 VanDerWaalsContact SG-NE 3.43Å; C82-F259 HydrophobicContact CB-CE2 4.08Å; C82-F259 HydrophobicContact CB-CZ 4.22Å; C82-F259 WeakPolarHBondContact O-CZ 3.21Å |
| 83 | L | 92.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.9 | 177.6 | -51.3 | -176 | 0 | 0 | 0 | 109.3 | V94 L106 L107 G116 R117 L129 F146 R147 F148 | L83-V94 HydrophobicContact CD1-CG1 3.87Å; L83-L106 HydrophobicContact CD1-CB 4.26Å; L83-L106 HydrophobicContact CD1-CD1 3.64Å; L83-L106 HydrophobicContact CG-CD1 4.4Å; L83-L107 HydrophobicContact CB-CD1 4.06Å; L83-L107 HydrophobicContact CB-CG 4.47Å; L83-L107 HydrophobicContact CD1-CD1 4.2Å; L83-L107 HydrophobicContact CD1-CG 4.4Å; L83-G116 CarbonylContact O-C 3.58Å; L83-G116 WeakPolarHBondContact O-CA 3.43Å; L83-R117 PolarHBondContact N-O 2.66Å; L83-R117 PolarHBondContact O-N 3.23Å; L83-L129 HydrophobicContact CD1-CD1 3.84Å; L83-L129 HydrophobicContact CD1-CD2 4.3Å; L83-L129 HydrophobicContact CD2-CD1 3.86Å; L83-L129 HydrophobicContact CG-CD1 4.47Å; L83-F146 HydrophobicContact CB-CD2 4.44Å; L83-F146 HydrophobicContact CD1-CE2 4.5Å; L83-F146 HydrophobicContact CD2-CD2 4.01Å; L83-F146 HydrophobicContact CD2-CE2 3.94Å; L83-R147 CarbonylContact C-O 3.48Å; L83-R147 WeakPolarHBondContact CA-O 3.38Å; L83-F148 HydrophobicContact CD2-CB 3.61Å |
| 84 | R | 91.3 | Very high | 85 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 110.9 | 172.4 | 177.7 | 176 | -70.3 | -176.6 | -3.9 | 109 | F146 R147 R258 F259 E261 | R84-F146 CarbonylContact O-C 3.52Å; R84-F146 VanDerWaalsContact O-CA 3.25Å; R84-F146 WeakPolarHBondContact O-CA 3.17Å; R84-F146 WeakPolarHBondContact O-CB 3.22Å; R84-R147 PolarHBondContact N-O 2.76Å; R84-R147 PolarHBondContact O-N 2.68Å; R84-R258 PolarHBondContact NH2-O 3.08Å; R84-F259 HydrophobicContact CB-CD1 4.46Å; R84-F259 HydrophobicContact CB-CD2 3.81Å; R84-F259 HydrophobicContact CB-CE1 4.12Å; R84-F259 HydrophobicContact CB-CE2 3.46Å; R84-F259 VanDerWaalsContact CB-CE2 3.46Å; R84-F259 HydrophobicContact CB-CG 4.32Å; R84-F259 HydrophobicContact CB-CZ 3.61Å; R84-F259 VanDerWaalsContact CZ-CD2 3.5Å; R84-F259 VanDerWaalsContact NE-CD2 3.3Å; R84-E261 IonicContact CZ-OE1 3.65Å; R84-E261 VanDerWaalsContact CZ-OE1 3.28Å; R84-E261 IonicContact CZ-OE2 3.66Å; R84-E261 IonicContact NH1-OE1 2.94Å; R84-E261 PolarHBondContact NH1-OE1 2.79Å; R84-E261 IonicContact NH1-OE2 3.86Å; R84-E261 IonicContact NH2-OE1 3.97Å; R84-E261 PolarHBondContact NH2-OE1 2.88Å; R84-E261 IonicContact NH2-OE2 2.81Å; R84-E261 PolarHBondContact NH2-OE2 3.47Å |
| 85 | P | 92.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.6 | 178.6 | 27.7 | -32.7 | 0 | 0 | 0 | 111.5 | F89 L107 | P85-F89 HydrophobicContact CB-CB 3.84Å; P85-F89 HydrophobicContact CB-CD2 3.75Å; P85-F89 HydrophobicContact CB-CG 3.96Å; P85-L107 HydrophobicContact CB-CD1 4.25Å; P85-L107 HydrophobicContact CB-CD2 4.39Å; P85-L107 HydrophobicContact CG-CD2 4.07Å |
| 86 | V | 91.6 | Very high | 88.8 | Confident | 83 Ų | 83 | 33.7 Ų | 33.7 | 50% | 0.503 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 134.7 | 156.1 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | P88 F89 A145 | V86-P88 CarbonylContact O-C 3.56Å; V86-P88 VanDerWaalsContact O-C 3.25Å; V86-F89 WeakPolarHBondContact O-CA 3.37Å; V86-F89 PolarHBondContact O-N 2.53Å; V86-A145 HydrophobicContact CB-CB 3.94Å; V86-A145 HydrophobicContact CG2-CB 3.64Å; V86-A145 PolarHBondContact N-O 3.19Å |
| 87 | R | 87 | Confident | 90.3 | Very high | 132 Ų | 132 | 34.5 Ų | 34.5 | 50% | 0.498 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -102.4 | 141.8 | -176.3 | -64.1 | -159.4 | -58 | -96.7 | 3.4 | 112.1 | A114 | R87-A114 PolarHBondContact NH1-O 2.94Š|
| 88 | P | 87.7 | Confident | 91.1 | Very high | 108 Ų | 108 | 30.7 Ų | 30.7 | 70% | 0.701 | 16% | 0.155 | S | C | * | . | S | Bend | cis | -65.8 | 144.9 | -13.2 | 29.6 | -34.7 | 0 | 0 | 0 | 111.2 | V86 | V86-P88 CarbonylContact O-C 3.56Å; V86-P88 VanDerWaalsContact O-C 3.25Å |
| 89 | F | 91.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -80.8 | 124.8 | 175.2 | -170.8 | -109.8 | 0 | 0 | 0 | 109.3 | P85 V86 A92 V94 L107 G110 A144 A145 F146 | P85-F89 HydrophobicContact CB-CB 3.84Å; P85-F89 HydrophobicContact CB-CD2 3.75Å; P85-F89 HydrophobicContact CB-CG 3.96Å; V86-F89 WeakPolarHBondContact O-CA 3.37Å; V86-F89 PolarHBondContact O-N 2.53Å; F89-A92 WeakPolarHBondContact CE1-O 3.31Å; F89-V94 HydrophobicContact CE1-CG2 4.1Å; F89-V94 HydrophobicContact CZ-CG2 3.64Å; F89-L107 HydrophobicContact CD1-CB 4.11Å; F89-L107 HydrophobicContact CE1-CB 3.83Å; F89-L107 HydrophobicContact CE2-CD1 4.36Å; F89-L107 HydrophobicContact CZ-CB 4.32Å; F89-L107 HydrophobicContact CZ-CD1 4.3Å; F89-G110 PolarHBondContact O-N 2.75Å; F89-A144 HydrophobicContact CE2-CB 4.19Å; F89-A144 HydrophobicContact CZ-CB 4.13Å; F89-A145 WeakPolarHBondContact CD2-O 3.47Å; F89-A145 WeakPolarHBondContact CE2-O 2.95Å; F89-F146 HydrophobicContact CE2-CD1 4.1Å; F89-F146 HydrophobicContact CZ-CD1 4.42Å |
| 90 | A | 92.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 21% | 0.207 | 23% | 0.225 | C | C | . | . | trans | -146.9 | 152.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | A92 V143 A144 | A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.97Å; A90-V143 CarbonylContact O-C 3.33Å; A90-V143 VanDerWaalsContact O-C 3.27Å; A90-V143 VanDerWaalsContact O-O 3.11Å; A90-A144 WeakPolarHBondContact O-CA 3.45Å; A90-A144 WeakPolarHBondContact O-CB 3.33Å; A90-A144 PolarHBondContact O-N 3.03Å | ||
| 91 | G | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 88.3 | -9.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P61 E109 A133 T134 | P61-G91 VanDerWaalsContact CB-O 3.25Å; P61-G91 WeakPolarHBondContact CB-O 3.37Å; G91-E109 WeakPolarHBondContact CA-OE2 3.23Å; G91-E109 PolarHBondContact N-OE2 2.92Å; G91-A133 WeakPolarHBondContact O-CA 3.37Å; G91-T134 PolarHBondContact O-N 3.2Å |
| 92 | A | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W58 F89 A90 Q132 A144 | W58-A92 HydrophobicContact CE3-CB 4.18Å; W58-A92 HydrophobicContact CZ3-CB 4.15Å; F89-A92 WeakPolarHBondContact CE1-O 3.31Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 2.97Å; A92-Q132 CarbonylContact C-O 3.59Å; A92-Q132 WeakPolarHBondContact CA-O 3.42Å; A92-Q132 VanDerWaalsContact CB-O 3.3Å; A92-Q132 WeakPolarHBondContact CB-O 3.41Å; A92-A144 HydrophobicContact CB-CB 3.52Å |
| 93 | Q | 95.3 | Very high | 91.8 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.5 | 164.2 | -62.1 | 176.9 | 40.6 | 0 | 0 | 108.6 | F95 L105 L107 L131 Q132 | Q93-F95 HydrophobicContact CB-CD2 4.45Å; Q93-F95 HydrophobicContact CB-CE2 3.58Å; Q93-F95 HydrophobicContact CB-CZ 3.9Å; Q93-L105 HydrophobicContact CB-CD1 4.14Å; Q93-L107 CarbonylContact C-O 3.57Å; Q93-L107 WeakPolarHBondContact CA-O 3.16Å; Q93-L131 CarbonylContact O-C 3.34Å; Q93-L131 VanDerWaalsContact O-CA 3.31Å; Q93-L131 WeakPolarHBondContact O-CA 3.5Å; Q93-Q132 PolarHBondContact N-O 2.83Å; Q93-Q132 PolarHBondContact O-N 2.91Å |
| 94 | V | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.5 | -179.2 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | L83 F89 L106 L107 L129 L131 F146 | L83-V94 HydrophobicContact CD1-CG1 3.87Å; F89-V94 HydrophobicContact CE1-CG2 4.1Å; F89-V94 HydrophobicContact CZ-CG2 3.64Å; V94-L106 WeakPolarHBondContact O-CA 3.3Å; V94-L106 PolarHBondContact O-N 2.89Å; V94-L107 HydrophobicContact CB-CB 3.97Å; V94-L107 HydrophobicContact CB-CD1 4.35Å; V94-L107 HydrophobicContact CB-CG 4.32Å; V94-L107 HydrophobicContact CG2-CB 4.03Å; V94-L107 HydrophobicContact CG2-CD1 4.06Å; V94-L107 HydrophobicContact CG2-CG 4.45Å; V94-L107 PolarHBondContact N-O 3.07Å; V94-L107 PolarHBondContact O-N 2.86Å; V94-L107 VanDerWaalsContact O-N 3.1Å; V94-L129 HydrophobicContact CG1-CB 4.25Å; V94-L129 HydrophobicContact CG1-CD1 4.23Å; V94-L129 HydrophobicContact CG1-CD2 4.39Å; V94-L131 HydrophobicContact CG1-CD1 4.3Å; V94-L131 HydrophobicContact CG1-CG 4.24Å; V94-L131 HydrophobicContact CG2-CG 4.11Å; V94-F146 HydrophobicContact CG1-CZ 4.49Å; V94-F146 HydrophobicContact CG2-CD1 4.2Å; V94-F146 HydrophobicContact CG2-CE1 3.86Å |
| 95 | F | 96 | Very high | 91.9 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.9 | 179.5 | -55.6 | -95.9 | 0 | 0 | 0 | 110.2 | Q93 L103 E104 L105 L129 F130 Q132 | Q93-F95 HydrophobicContact CB-CD2 4.45Å; Q93-F95 HydrophobicContact CB-CE2 3.58Å; Q93-F95 HydrophobicContact CB-CZ 3.9Å; F95-L103 HydrophobicContact CB-CB 3.97Å; F95-L103 HydrophobicContact CB-CD2 4.24Å; F95-L103 HydrophobicContact CB-CG 4.5Å; F95-L103 HydrophobicContact CD1-CB 3.99Å; F95-L103 HydrophobicContact CG-CB 4.16Å; F95-E104 CarbonylContact C-O 3.59Å; F95-E104 WeakPolarHBondContact CA-O 3.12Å; F95-L105 HydrophobicContact CD1-CB 3.91Å; F95-L105 HydrophobicContact CD1-CD1 3.98Å; F95-L105 HydrophobicContact CE1-CB 3.87Å; F95-L105 HydrophobicContact CE1-CD1 3.59Å; F95-L105 HydrophobicContact CE1-CG 4.28Å; F95-L105 HydrophobicContact CE2-CD1 4.43Å; F95-L105 HydrophobicContact CZ-CD1 3.83Å; F95-L129 CarbonylContact O-C 3.59Å; F95-L129 WeakPolarHBondContact O-CA 3.16Å; F95-F130 HydrophobicContact CB-CB 4.38Å; F95-F130 HydrophobicContact CD2-CD1 4.22Å; F95-F130 WeakPolarHBondContact CD2-O 3.07Å; F95-F130 PolarHBondContact N-O 3.35Å; F95-F130 PolarHBondContact O-N 2.78Å; F95-Q132 HydrophobicContact CE2-CB 4.15Å |
| 96 | A | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L103 E104 L106 V119 W121 L129 | A96-L103 WeakPolarHBondContact O-CA 3.37Å; A96-E104 HydrophobicContact CB-CB 4.39Å; A96-E104 PolarHBondContact N-O 2.8Å; A96-E104 PolarHBondContact O-N 3.29Å; A96-L106 HydrophobicContact CB-CD1 3.98Å; A96-L106 HydrophobicContact CB-CD2 4.41Å; A96-L106 HydrophobicContact CB-CG 4.2Å; A96-V119 HydrophobicContact CB-CB 4.32Å; A96-V119 HydrophobicContact CB-CG1 4.21Å; A96-V119 HydrophobicContact CB-CG2 3.68Å; A96-W121 HydrophobicContact CB-CZ2 3.73Å; A96-L129 HydrophobicContact CB-CD2 4.25Å |
| 97 | E | 93.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.4 | 168.1 | -68 | -179.3 | -156.5 | 0 | 0 | 109.4 | R66 L103 W121 A128 F130 | R66-E97 VanDerWaalsContact CD-OE1 3.27Å; R66-E97 WeakPolarHBondContact CD-OE1 3.39Å; R66-E97 WeakPolarHBondContact CG-OE1 3.46Å; R66-E97 IonicContact CZ-OE1 2.91Å; R66-E97 IonicContact CZ-OE2 3.96Å; R66-E97 VanDerWaalsContact NE-CD 3.32Å; R66-E97 IonicContact NE-OE1 3.14Å; R66-E97 PolarHBondContact NE-OE1 3.38Å; R66-E97 IonicContact NE-OE2 2.78Å; R66-E97 PolarHBondContact NE-OE2 2.73Å; R66-E97 IonicContact NH2-OE1 3.86Å; R66-E97 IonicContact NH2-OE2 3.67Å; R66-E97 PolarHBondContact NH2-OE2 3.06Å; E97-L103 HydrophobicContact CB-CD2 4.48Å; E97-L103 HydrophobicContact CG-CD2 3.75Å; E97-W121 PolarHBondContact O-NE1 2.82Å; E97-A128 HydrophobicContact CB-CB 4.14Å; E97-A128 HydrophobicContact CG-CB 4.22Å; E97-A128 PolarHBondContact N-O 2.94Å; E97-F130 HydrophobicContact CG-CB 4.35Å |
| 98 | R | 91.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 162.8 | 176 | -56.4 | -52.7 | -54.6 | -164.4 | 20.1 | 111.2 | G100 G101 A102 E104 R120 E125 | R98-G100 PolarHBondContact O-N 2.79Å; R98-G101 PolarHBondContact O-N 2.94Å; R98-A102 HydrophobicContact CB-CB 4.24Å; R98-A102 WeakPolarHBondContact CB-O 3.31Å; R98-A102 PolarHBondContact N-O 2.81Å; R98-E104 WeakPolarHBondContact CD-OE2 3.42Å; R98-E104 HydrophobicContact CG-CB 4.12Å; R98-E104 IonicContact CZ-OE2 3.62Å; R98-E104 IonicContact NE-OE2 3.66Å; R98-E104 IonicContact NH1-OE2 3.05Å; R98-E104 PolarHBondContact NH1-OE2 3.45Å; R98-R120 PolarHBondContact NH1-O 3.43Å; R98-R120 PolarHBondContact NH2-O 3.29Å; R98-E125 IonicContact CZ-OE2 3.68Å; R98-E125 IonicContact NE-OE2 3.24Å; R98-E125 IonicContact NH2-OE1 3.36Å; R98-E125 IonicContact NH2-OE2 2.69Å; R98-E125 PolarHBondContact NH2-OE2 2.83Å |
| 99 | A | 85.4 | Confident | 92.2 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -50.5 | 133.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E125 | A99-E125 HydrophobicContact CB-CG 4.09Š|
| 100 | G | 85.1 | Confident | 91.8 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 96% | 0.959 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 85.2 | 0.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R98 | R98-G100 PolarHBondContact O-N 2.79Š|
| 101 | G | 87.2 | Confident | 90.8 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 63% | 0.629 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 86.5 | 4.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R98 | R98-G101 PolarHBondContact O-N 2.94Š|
| 102 | A | 92.5 | Very high | 89.5 | Confident | 60 Ų | 60 | 50 Ų | 50 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | trans | -66 | 147 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | R98 | R98-A102 HydrophobicContact CB-CB 4.24Å; R98-A102 WeakPolarHBondContact CB-O 3.31Å; R98-A102 PolarHBondContact N-O 2.81Å | ||
| 103 | L | 94.2 | Very high | 88 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.4 | 178.8 | -65.7 | -178.4 | 0 | 0 | 0 | 110.1 | F95 A96 E97 F130 | F95-L103 HydrophobicContact CB-CB 3.97Å; F95-L103 HydrophobicContact CB-CD2 4.24Å; F95-L103 HydrophobicContact CB-CG 4.5Å; F95-L103 HydrophobicContact CD1-CB 3.99Å; F95-L103 HydrophobicContact CG-CB 4.16Å; A96-L103 WeakPolarHBondContact O-CA 3.37Å; E97-L103 HydrophobicContact CB-CD2 4.48Å; E97-L103 HydrophobicContact CG-CD2 3.75Å; L103-F130 HydrophobicContact CD1-CD1 3.97Å; L103-F130 HydrophobicContact CD1-CE1 4.48Å; L103-F130 HydrophobicContact CD1-CG 4.45Å; L103-F130 HydrophobicContact CD2-CB 4.02Å |
| 104 | E | 93.7 | Very high | 86.4 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.4 | 176.4 | -178.1 | -171 | 160.6 | 0 | 0 | 109.5 | F95 A96 R98 L106 | F95-E104 CarbonylContact C-O 3.59Å; F95-E104 WeakPolarHBondContact CA-O 3.12Å; A96-E104 HydrophobicContact CB-CB 4.39Å; A96-E104 PolarHBondContact N-O 2.8Å; A96-E104 PolarHBondContact O-N 3.29Å; R98-E104 WeakPolarHBondContact CD-OE2 3.42Å; R98-E104 HydrophobicContact CG-CB 4.12Å; R98-E104 IonicContact CZ-OE2 3.62Å; R98-E104 IonicContact NE-OE2 3.66Å; R98-E104 IonicContact NH1-OE2 3.05Å; R98-E104 PolarHBondContact NH1-OE2 3.45Å; E104-L106 PolarHBondContact O-N 2.68Å |
| 105 | L | 92.7 | Very high | 85 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.4 | -179.1 | 179.9 | 65.8 | 0 | 0 | 0 | 111.4 | Q93 F95 L107 A108 | Q93-L105 HydrophobicContact CB-CD1 4.14Å; F95-L105 HydrophobicContact CD1-CB 3.91Å; F95-L105 HydrophobicContact CD1-CD1 3.98Å; F95-L105 HydrophobicContact CE1-CB 3.87Å; F95-L105 HydrophobicContact CE1-CD1 3.59Å; F95-L105 HydrophobicContact CE1-CG 4.28Å; F95-L105 HydrophobicContact CE2-CD1 4.43Å; F95-L105 HydrophobicContact CZ-CD1 3.83Å; L105-L107 WeakPolarHBondContact CD1-O 3.33Å; L105-A108 HydrophobicContact CD2-CB 4.24Å |
| 106 | L | 91.2 | Very high | 84.1 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -50 | 176.7 | -58.6 | -176.5 | 0 | 0 | 0 | 112.3 | L83 V94 A96 E104 R117 V119 L129 | L83-L106 HydrophobicContact CD1-CB 4.26Å; L83-L106 HydrophobicContact CD1-CD1 3.64Å; L83-L106 HydrophobicContact CG-CD1 4.4Å; V94-L106 WeakPolarHBondContact O-CA 3.3Å; V94-L106 PolarHBondContact O-N 2.89Å; A96-L106 HydrophobicContact CB-CD1 3.98Å; A96-L106 HydrophobicContact CB-CD2 4.41Å; A96-L106 HydrophobicContact CB-CG 4.2Å; E104-L106 PolarHBondContact O-N 2.68Å; L106-R117 WeakPolarHBondContact O-CG 3.34Å; L106-V119 HydrophobicContact CD1-CB 4.08Å; L106-V119 HydrophobicContact CD1-CG1 3.66Å; L106-V119 HydrophobicContact CD2-CB 3.84Å; L106-V119 HydrophobicContact CD2-CG1 4.36Å; L106-V119 HydrophobicContact CD2-CG2 4.39Å; L106-L129 HydrophobicContact CD1-CD2 3.68Å |
| 107 | L | 92.8 | Very high | 83.6 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.4 | -179.9 | -56.3 | 176.8 | 0 | 0 | 0 | 109.3 | L83 P85 F89 Q93 V94 L105 R117 F146 | L83-L107 HydrophobicContact CB-CD1 4.06Å; L83-L107 HydrophobicContact CB-CG 4.47Å; L83-L107 HydrophobicContact CD1-CD1 4.2Å; L83-L107 HydrophobicContact CD1-CG 4.4Å; P85-L107 HydrophobicContact CB-CD1 4.25Å; P85-L107 HydrophobicContact CB-CD2 4.39Å; P85-L107 HydrophobicContact CG-CD2 4.07Å; F89-L107 HydrophobicContact CD1-CB 4.11Å; F89-L107 HydrophobicContact CE1-CB 3.83Å; F89-L107 HydrophobicContact CE2-CD1 4.36Å; F89-L107 HydrophobicContact CZ-CB 4.32Å; F89-L107 HydrophobicContact CZ-CD1 4.3Å; Q93-L107 CarbonylContact C-O 3.57Å; Q93-L107 WeakPolarHBondContact CA-O 3.16Å; V94-L107 HydrophobicContact CB-CB 3.97Å; V94-L107 HydrophobicContact CB-CD1 4.35Å; V94-L107 HydrophobicContact CB-CG 4.32Å; V94-L107 HydrophobicContact CG2-CB 4.03Å; V94-L107 HydrophobicContact CG2-CD1 4.06Å; V94-L107 HydrophobicContact CG2-CG 4.45Å; V94-L107 PolarHBondContact N-O 3.07Å; V94-L107 PolarHBondContact O-N 2.86Å; V94-L107 VanDerWaalsContact O-N 3.1Å; L105-L107 WeakPolarHBondContact CD1-O 3.33Å; L107-R117 HydrophobicContact CD2-CB 4.36Å; L107-R117 HydrophobicContact CD2-CG 4.37Å; L107-F146 HydrophobicContact CD1-CB 4.02Å; L107-F146 HydrophobicContact CD1-CD1 4.28Å; L107-F146 HydrophobicContact CD1-CG 4.16Å |
| 108 | A | 91.1 | Very high | 83.4 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | trans | -107.8 | 151 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L105 | L105-A108 HydrophobicContact CD2-CB 4.24Š| ||
| 109 | E | 90.3 | Very high | 83.2 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -62.3 | 139.4 | 170.4 | 175.7 | 166.8 | 141.9 | 0 | 0 | 111.5 | G91 T134 R142 | G91-E109 WeakPolarHBondContact CA-OE2 3.23Å; G91-E109 PolarHBondContact N-OE2 2.92Å; E109-T134 WeakPolarHBondContact OE2-CB 3.32Å; E109-T134 WeakPolarHBondContact OE2-CG2 3.33Å; E109-T134 PolarHBondContact OE2-OG1 2.81Å; E109-R142 IonicContact OE1-CZ 2.88Å; E109-R142 IonicContact OE1-NH1 2.7Å; E109-R142 PolarHBondContact OE1-NH1 2.84Å; E109-R142 IonicContact OE1-NH2 2.75Å; E109-R142 PolarHBondContact OE1-NH2 2.72Å; E109-R142 IonicContact OE2-CZ 2.73Å; E109-R142 IonicContact OE2-NH1 3.46Å; E109-R142 IonicContact OE2-NH2 3.59Å; E109-R142 PolarHBondContact OE2-NH2 2.83Å |
| 110 | G | 83.3 | Confident | 83.3 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | 113.5 | -158.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F89 G112 | F89-G110 PolarHBondContact O-N 2.75Å; G110-G112 PolarHBondContact O-N 2.68Å |
| 111 | P | 71.4 | Confident | 83.4 | Confident | 140 Ų | 140 | 45.9 Ų | 45.9 | 91% | 0.909 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -77.3 | 59 | 178 | 35 | -34.6 | 0 | 0 | 0 | 109.2 | ||
| 112 | G | 66.5 | Low | 83.2 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | -61.7 | 168.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G110 A114 | G110-G112 PolarHBondContact O-N 2.68Å; G112-A114 PolarHBondContact O-N 3.05Å; G112-A114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | P | 63.2 | Low | 82.6 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | trans | -53.2 | 124.7 | 177.2 | 27.9 | -38.4 | 0 | 0 | 0 | 109.5 | G115 R117 | P113-G115 PolarHBondContact O-N 3.46Å; P113-G115 VanDerWaalsContact O-O 3.14Å; P113-R117 HydrophobicContact CG-CG 4.37Å; P113-R117 VanDerWaalsContact CG-NH1 3.33Å | ||
| 114 | A | 62 | Low | 81.9 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.3 | -24.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R87 G112 L203 | R87-A114 PolarHBondContact NH1-O 2.94Å; G112-A114 PolarHBondContact O-N 3.05Å; G112-A114 VanDerWaalsContact O-N 3.13Å; A114-L203 HydrophobicContact CB-CB 4.37Å; A114-L203 HydrophobicContact CB-CD2 3.26Å; A114-L203 HydrophobicContact CB-CG 4.34Å |
| 115 | G | 66.1 | Low | 81.5 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -75.4 | 147.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P113 R117 | P113-G115 PolarHBondContact O-N 3.46Å; P113-G115 VanDerWaalsContact O-O 3.14Å; G115-R117 PolarHBondContact O-NH1 2.83Å |
| 116 | G | 76.8 | Confident | 81.1 | Confident | 8 Ų | 8 | 55 Ų | 55 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | trans | -60.4 | 155.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L83 | L83-G116 CarbonylContact O-C 3.58Å; L83-G116 WeakPolarHBondContact O-CA 3.43Å | ||
| 117 | R | 85.9 | Confident | 81 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.8 | 176.8 | -74.4 | -75.1 | -177.5 | -82.6 | 14 | 109.4 | C82 L83 L106 L107 P113 G115 | C82-R117 CarbonylContact C-O 3.46Å; C82-R117 WeakPolarHBondContact CA-O 3.38Å; L83-R117 PolarHBondContact N-O 2.66Å; L83-R117 PolarHBondContact O-N 3.23Å; L106-R117 WeakPolarHBondContact O-CG 3.34Å; L107-R117 HydrophobicContact CD2-CB 4.36Å; L107-R117 HydrophobicContact CD2-CG 4.37Å; P113-R117 HydrophobicContact CG-CG 4.37Å; P113-R117 VanDerWaalsContact CG-NH1 3.33Å; G115-R117 PolarHBondContact O-NH1 2.83Å |
| 118 | C | 87.8 | Confident | 81 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 146.5 | 179.5 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | I80 A81 C82 L165 R258 | I80-C118 HydrophobicContact CG2-CB 4.5Å; A81-C118 CarbonylContact O-C 3.48Å; A81-C118 WeakPolarHBondContact O-CA 3.25Å; C82-C118 VanDerWaalsContact CA-SG 3.6Å; C82-C118 HydrophobicContact CB-CB 4.07Å; C82-C118 WeakPolarHBondContact CB-SG 3.25Å; C82-C118 WeakPolarHBondContact SG-CB 3.39Å; C82-C118 CovalentContact SG-SG 2.04Å; C82-C118 PolarHBondContact SG-SG 2.86Å; C118-L165 HydrophobicContact CB-CD2 3.41Å; C118-L165 VanDerWaalsContact CB-CD2 3.41Å; C118-R258 PolarHBondContact SG-NE 3.23Å; C118-R258 PolarHBondContact SG-NH1 2.63Å; C118-R258 PolarHBondContact SG-NH2 3.35Å |
| 119 | V | 88.3 | Confident | 81.2 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.5 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 108.8 | I80 A81 A96 L106 W121 | I80-V119 WeakPolarHBondContact CA-O 3.17Å; A81-V119 PolarHBondContact N-O 3.23Å; A81-V119 PolarHBondContact O-N 3.34Å; A96-V119 HydrophobicContact CB-CB 4.32Å; A96-V119 HydrophobicContact CB-CG1 4.21Å; A96-V119 HydrophobicContact CB-CG2 3.68Å; L106-V119 HydrophobicContact CD1-CB 4.08Å; L106-V119 HydrophobicContact CD1-CG1 3.66Å; L106-V119 HydrophobicContact CD2-CB 3.84Å; L106-V119 HydrophobicContact CD2-CG1 4.36Å; L106-V119 HydrophobicContact CD2-CG2 4.39Å; V119-W121 HydrophobicContact CB-CH2 4.49Å; V119-W121 HydrophobicContact CG1-CE3 4.13Å; V119-W121 HydrophobicContact CG1-CH2 3.2Å; V119-W121 HydrophobicContact CG1-CZ2 3.71Å; V119-W121 HydrophobicContact CG1-CZ3 3.44Å; V119-W121 VanDerWaalsContact CG1-CZ3 3.44Å; V119-W121 HydrophobicContact CG2-CZ2 4.38Å |
| 120 | R | 87.3 | Confident | 81.5 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.9 | 177.4 | -175.2 | 175.7 | 179.2 | -151.5 | -13.8 | 109.7 | G79 I80 R98 D153 P156 L165 | G79-R120 WeakPolarHBondContact O-CA 3.37Å; I80-R120 HydrophobicContact CG1-CB 4.36Å; I80-R120 HydrophobicContact CG1-CG 4.09Å; R98-R120 PolarHBondContact NH1-O 3.43Å; R98-R120 PolarHBondContact NH2-O 3.29Å; R120-D153 IonicContact CZ-OD2 3.69Å; R120-D153 IonicContact NE-OD2 3.2Å; R120-D153 PolarHBondContact NE-OD2 3.32Å; R120-D153 IonicContact NH2-OD2 2.75Å; R120-D153 PolarHBondContact NH2-OD2 3.48Å; R120-P156 VanDerWaalsContact NH2-C 3.26Å; R120-P156 VanDerWaalsContact NH2-CB 3.25Å; R120-P156 PolarHBondContact NH2-O 3.03Å; R120-L165 HydrophobicContact CB-CD1 4.09Å |
| 121 | W | 87.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.3 | 169.5 | -70.7 | -81.7 | 0 | 0 | 0 | 109.8 | P78 G79 A81 A96 E97 V119 E125 R126 R127 L129 | P78-W121 WeakPolarHBondContact CA-O 3.48Å; G79-W121 PolarHBondContact N-O 3.35Å; G79-W121 VanDerWaalsContact N-O 3.11Å; G79-W121 PolarHBondContact O-N 3.34Å; A81-W121 HydrophobicContact CB-CH2 4.06Å; A81-W121 HydrophobicContact CB-CZ3 3.53Å; A96-W121 HydrophobicContact CB-CZ2 3.73Å; E97-W121 PolarHBondContact O-NE1 2.82Å; V119-W121 HydrophobicContact CB-CH2 4.49Å; V119-W121 HydrophobicContact CG1-CE3 4.13Å; V119-W121 HydrophobicContact CG1-CH2 3.2Å; V119-W121 HydrophobicContact CG1-CZ2 3.71Å; V119-W121 HydrophobicContact CG1-CZ3 3.44Å; V119-W121 VanDerWaalsContact CG1-CZ3 3.44Å; V119-W121 HydrophobicContact CG2-CZ2 4.38Å; W121-E125 HydrophobicContact CB-CB 3.83Å; W121-E125 HydrophobicContact CG-CB 4.28Å; W121-R126 PolarHBondContact NE1-O 3.21Å; W121-R127 HydrophobicContact CB-CG 4.32Å; W121-R127 HydrophobicContact CD2-CB 4.27Å; W121-R127 HydrophobicContact CD2-CG 4.17Å; W121-R127 HydrophobicContact CE3-CB 4.12Å; W121-R127 HydrophobicContact CE3-CG 3.96Å; W121-R127 HydrophobicContact CG-CG 4.35Å; W121-R127 HydrophobicContact CZ3-CB 4.32Å; W121-L129 HydrophobicContact CH2-CD2 3.89Å; W121-L129 HydrophobicContact CH2-CG 4.48Å; W121-L129 HydrophobicContact CZ2-CD2 3.97Å |
| 122 | G | 83 | Confident | 83.3 | Confident | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | trans | -70 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R124 E125 | G122-R124 PolarHBondContact O-N 3.45Å; G122-E125 VanDerWaalsContact N-CD 3.27Å; G122-E125 PolarHBondContact N-OE1 2.88Å; G122-E125 PolarHBondContact N-OE2 3.34Å; G122-E125 PolarHBondContact O-N 3.11Å | ||
| 123 | P | 79.5 | Confident | 84.7 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 137.4 | 172.6 | -13.8 | 24.4 | 0 | 0 | 0 | 110.2 | P78 E125 | P78-P123 HydrophobicContact CG-CB 4.23Å; P78-P123 HydrophobicContact CG-CG 3.71Å; P123-E125 PolarHBondContact O-N 2.87Å; P123-E125 VanDerWaalsContact O-N 3.07Å |
| 124 | R | 78.8 | Confident | 86.1 | Confident | 228 Ų | 228 | 45.6 Ų | 45.6 | 86% | 0.86 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | -3.3 | 179.4 | -48.9 | 176.3 | 177.4 | 169.6 | -0.7 | 116 | A76 G122 | A76-R124 PolarHBondContact O-N 2.86Å; G122-R124 PolarHBondContact O-N 3.45Å |
| 125 | E | 85.1 | Confident | 87.3 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | trans | -68.7 | 137.5 | 169.4 | -75.9 | -178.6 | -141.7 | 0 | 0 | 109.6 | R98 A99 W121 G122 P123 R127 | R98-E125 IonicContact CZ-OE2 3.68Å; R98-E125 IonicContact NE-OE2 3.24Å; R98-E125 IonicContact NH2-OE1 3.36Å; R98-E125 IonicContact NH2-OE2 2.69Å; R98-E125 PolarHBondContact NH2-OE2 2.83Å; A99-E125 HydrophobicContact CB-CG 4.09Å; W121-E125 HydrophobicContact CB-CB 3.83Å; W121-E125 HydrophobicContact CG-CB 4.28Å; G122-E125 VanDerWaalsContact N-CD 3.27Å; G122-E125 PolarHBondContact N-OE1 2.88Å; G122-E125 PolarHBondContact N-OE2 3.34Å; G122-E125 PolarHBondContact O-N 3.11Å; P123-E125 PolarHBondContact O-N 2.87Å; P123-E125 VanDerWaalsContact O-N 3.07Å; E125-R127 PolarHBondContact O-N 3.17Å | ||
| 126 | R | 84.6 | Confident | 88.2 | Confident | 184 Ų | 184 | 54.5 Ų | 54.5 | 69% | 0.694 | 26% | 0.26 | S | S | * | . | trans | -74.7 | 123.3 | 174 | -68.6 | -177 | -178.9 | -101.2 | 2.8 | 108.1 | W121 A128 | W121-R126 PolarHBondContact NE1-O 3.21Å; R126-A128 HydrophobicContact CB-CB 4.45Å; R126-A128 PolarHBondContact O-N 2.9Å | ||
| 127 | R | 90 | Very high | 88.3 | Confident | 25 Ų | 25 | 64 Ų | 64 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | trans | -72.1 | 68.7 | 173.6 | -59.8 | 174.1 | -68 | -156.8 | -6.6 | 109.8 | L69 G71 W121 E125 | L69-R127 HydrophobicContact CB-CB 4.38Å; L69-R127 PolarHBondContact N-O 2.82Å; L69-R127 WeakPolarHBondContact O-CB 3.35Å; L69-R127 PolarHBondContact O-NE 2.94Å; L69-R127 VanDerWaalsContact O-NE 3.11Å; G71-R127 PolarHBondContact O-NH2 2.8Å; W121-R127 HydrophobicContact CB-CG 4.32Å; W121-R127 HydrophobicContact CD2-CB 4.27Å; W121-R127 HydrophobicContact CD2-CG 4.17Å; W121-R127 HydrophobicContact CE3-CB 4.12Å; W121-R127 HydrophobicContact CE3-CG 3.96Å; W121-R127 HydrophobicContact CG-CG 4.35Å; W121-R127 HydrophobicContact CZ3-CB 4.32Å; E125-R127 PolarHBondContact O-N 3.17Å | ||
| 128 | A | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L67 E97 R126 | L67-A128 CarbonylContact O-C 3.57Å; L67-A128 WeakPolarHBondContact O-CA 3.43Å; E97-A128 HydrophobicContact CB-CB 4.14Å; E97-A128 HydrophobicContact CG-CB 4.22Å; E97-A128 PolarHBondContact N-O 2.94Å; R126-A128 HydrophobicContact CB-CB 4.45Å; R126-A128 PolarHBondContact O-N 2.9Å |
| 129 | L | 95.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136 | 170.9 | -61.6 | 176.5 | 0 | 0 | 0 | 108.9 | R66 L67 L69 L83 V94 F95 A96 L106 W121 L131 F146 | R66-L129 CarbonylContact C-O 3.44Å; R66-L129 WeakPolarHBondContact CA-O 3.49Å; L67-L129 HydrophobicContact CB-CB 4.35Å; L67-L129 HydrophobicContact CD2-CD1 4.33Å; L67-L129 PolarHBondContact N-O 2.99Å; L67-L129 PolarHBondContact O-N 2.78Å; L69-L129 HydrophobicContact CD1-CD1 3.8Å; L69-L129 HydrophobicContact CD1-CG 4.21Å; L69-L129 HydrophobicContact CG-CD1 4.42Å; L83-L129 HydrophobicContact CD1-CD1 3.84Å; L83-L129 HydrophobicContact CD1-CD2 4.3Å; L83-L129 HydrophobicContact CD2-CD1 3.86Å; L83-L129 HydrophobicContact CG-CD1 4.47Å; V94-L129 HydrophobicContact CG1-CB 4.25Å; V94-L129 HydrophobicContact CG1-CD1 4.23Å; V94-L129 HydrophobicContact CG1-CD2 4.39Å; F95-L129 CarbonylContact O-C 3.59Å; F95-L129 WeakPolarHBondContact O-CA 3.16Å; A96-L129 HydrophobicContact CB-CD2 4.25Å; L106-L129 HydrophobicContact CD1-CD2 3.68Å; W121-L129 HydrophobicContact CH2-CD2 3.89Å; W121-L129 HydrophobicContact CH2-CG 4.48Å; W121-L129 HydrophobicContact CZ2-CD2 3.97Å; L129-L131 HydrophobicContact CB-CD1 3.98Å; L129-F146 HydrophobicContact CD1-CE2 4.34Å; L129-F146 HydrophobicContact CD1-CZ 4.42Å |
| 130 | F | 96.5 | Very high | 87.7 | Confident | 38 Ų | 38 | 73.3 Ų | 73.3 | 17% | 0.167 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 170.3 | -173.5 | -101.2 | 0 | 0 | 0 | 108.6 | V44 A64 F95 E97 L103 Q132 | V44-F130 HydrophobicContact CG1-CE2 4.05Å; V44-F130 HydrophobicContact CG2-CE2 4.46Å; A64-F130 HydrophobicContact CB-CE1 4.09Å; A64-F130 HydrophobicContact CB-CE2 3.68Å; A64-F130 HydrophobicContact CB-CZ 3.35Å; F95-F130 HydrophobicContact CB-CB 4.38Å; F95-F130 HydrophobicContact CD2-CD1 4.22Å; F95-F130 WeakPolarHBondContact CD2-O 3.07Å; F95-F130 PolarHBondContact N-O 3.35Å; F95-F130 PolarHBondContact O-N 2.78Å; E97-F130 HydrophobicContact CG-CB 4.35Å; L103-F130 HydrophobicContact CD1-CD1 3.97Å; L103-F130 HydrophobicContact CD1-CE1 4.48Å; L103-F130 HydrophobicContact CD1-CG 4.45Å; L103-F130 HydrophobicContact CD2-CB 4.02Å; F130-Q132 HydrophobicContact CD1-CB 4.36Å; F130-Q132 HydrophobicContact CE1-CB 3.94Å; F130-Q132 HydrophobicContact CE1-CG 4.45Å |
| 131 | L | 96.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.1 | 177.2 | -65.3 | 68 | 0 | 0 | 0 | 107.4 | V56 W58 A64 L65 L67 Q93 V94 L129 F146 | V56-L131 HydrophobicContact CG1-CD2 4.21Å; W58-L131 HydrophobicContact CE3-CB 4.27Å; W58-L131 HydrophobicContact CE3-CD2 4.38Å; W58-L131 HydrophobicContact CZ3-CB 3.98Å; A64-L131 CarbonylContact C-O 3.51Å; A64-L131 WeakPolarHBondContact CA-O 3.39Å; A64-L131 WeakPolarHBondContact CB-O 3.38Å; L65-L131 HydrophobicContact CB-CB 4.23Å; L65-L131 PolarHBondContact N-O 2.92Å; L65-L131 PolarHBondContact O-N 3.21Å; L67-L131 HydrophobicContact CB-CD1 4.02Å; Q93-L131 CarbonylContact O-C 3.34Å; Q93-L131 VanDerWaalsContact O-CA 3.31Å; Q93-L131 WeakPolarHBondContact O-CA 3.5Å; V94-L131 HydrophobicContact CG1-CD1 4.3Å; V94-L131 HydrophobicContact CG1-CG 4.24Å; V94-L131 HydrophobicContact CG2-CG 4.11Å; L129-L131 HydrophobicContact CB-CD1 3.98Å; L131-F146 HydrophobicContact CD2-CE1 3.68Å; L131-F146 HydrophobicContact CD2-CZ 4.05Å; L131-F146 HydrophobicContact CG-CE1 4.31Å |
| 132 | Q | 95.7 | Very high | 88 | Confident | 83 Ų | 83 | 79.9 Ų | 79.9 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.4 | 177.7 | -173.7 | 178.3 | -44.6 | 0 | 0 | 109.2 | A92 Q93 F95 F130 | A92-Q132 CarbonylContact C-O 3.59Å; A92-Q132 WeakPolarHBondContact CA-O 3.42Å; A92-Q132 VanDerWaalsContact CB-O 3.3Å; A92-Q132 WeakPolarHBondContact CB-O 3.41Å; Q93-Q132 PolarHBondContact N-O 2.83Å; Q93-Q132 PolarHBondContact O-N 2.91Å; F95-Q132 HydrophobicContact CE2-CB 4.15Å; F130-Q132 HydrophobicContact CD1-CB 4.36Å; F130-Q132 HydrophobicContact CE1-CB 3.94Å; F130-Q132 HydrophobicContact CE1-CG 4.45Å |
| 133 | A | 94.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 137.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | W58 P61 G63 G91 | W58-A133 HydrophobicContact CH2-CB 3.91Å; W58-A133 HydrophobicContact CZ3-CB 4.26Å; P61-A133 VanDerWaalsContact C-CB 3.49Å; P61-A133 HydrophobicContact CB-CB 3.74Å; G63-A133 WeakPolarHBondContact O-CB 3.45Å; G63-A133 PolarHBondContact O-N 2.84Å; G91-A133 WeakPolarHBondContact O-CA 3.37Å |
| 134 | T | 93.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 124.3 | 171.6 | -53.9 | 0 | 0 | 0 | 0 | 108.3 | G91 E109 H136 | G91-T134 PolarHBondContact O-N 3.2Å; E109-T134 WeakPolarHBondContact OE2-CB 3.32Å; E109-T134 WeakPolarHBondContact OE2-CG2 3.33Å; E109-T134 PolarHBondContact OE2-OG1 2.81Å; T134-H136 PolarHBondContact O-N 2.75Å |
| 135 | P | 87.3 | Confident | 90.2 | Very high | 116 Ų | 116 | 66.4 Ų | 66.4 | 75% | 0.753 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 133.1 | 175.8 | -23.9 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 136 | H | 84 | Confident | 90.7 | Very high | 91 Ų | 91 | 64.4 Ų | 64.4 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | trans | -143.7 | 139.3 | -179.9 | -160.5 | 68.7 | 0 | 0 | 0 | 109.3 | T134 D138 R142 | T134-H136 PolarHBondContact O-N 2.75Å; H136-D138 IonicContact CD2-OD1 3.76Å; H136-D138 PolarHBondContact CD2-OD1 3.1Å; H136-D138 IonicContact CD2-OD2 3.82Å; H136-D138 IonicContact CE1-OD2 3.62Å; H136-D138 IonicContact NE2-OD1 3.95Å; H136-D138 PolarHBondContact NE2-OD1 2.8Å; H136-D138 IonicContact NE2-OD2 3.68Å; H136-D138 PolarHBondContact NE2-OD2 2.85Å; H136-R142 PolarHBondContact ND1-NH1 3.24Å | ||
| 137 | Q | 79.9 | Confident | 91.2 | Very high | 206 Ų | 206 | 61 Ų | 61 | 96% | 0.963 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -94.9 | -19.6 | -170.5 | -67.5 | -172.2 | -4.8 | 0 | 0 | 114 | ||
| 138 | D | 83 | Confident | 91.3 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -93.3 | 166.4 | 176.9 | 73.4 | 36.3 | 0 | 0 | 0 | 111.9 | H136 S140 | H136-D138 IonicContact CD2-OD1 3.76Å; H136-D138 PolarHBondContact CD2-OD1 3.1Å; H136-D138 IonicContact CD2-OD2 3.82Å; H136-D138 IonicContact CE1-OD2 3.62Å; H136-D138 IonicContact NE2-OD1 3.95Å; H136-D138 PolarHBondContact NE2-OD1 2.8Å; H136-D138 IonicContact NE2-OD2 3.68Å; H136-D138 PolarHBondContact NE2-OD2 2.85Å; D138-S140 PolarHBondContact O-N 2.82Å; D138-S140 WeakPolarHBondContact OD1-CA 3.44Å; D138-S140 WeakPolarHBondContact OD1-CB 3.38Å; D138-S140 PolarHBondContact OD1-N 2.86Å; D138-S140 PolarHBondContact OD1-OG 2.79Å |
| 139 | I | 78.8 | Confident | 91.3 | Very high | 173 Ų | 173 | 61.3 Ų | 61.3 | 89% | 0.887 | 30% | 0.303 | S | S | * | . | trans | -87.7 | 17 | 176.7 | 58.8 | 170.9 | 0 | 0 | 0 | 112.6 | ||||
| 140 | S | 87 | Confident | 91 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -63.7 | 147.8 | -178.4 | 70 | 0 | 0 | 0 | 0 | 110.7 | D138 R142 | D138-S140 PolarHBondContact O-N 2.82Å; D138-S140 WeakPolarHBondContact OD1-CA 3.44Å; D138-S140 WeakPolarHBondContact OD1-CB 3.38Å; D138-S140 PolarHBondContact OD1-N 2.86Å; D138-S140 PolarHBondContact OD1-OG 2.79Å; S140-R142 PolarHBondContact O-N 3.43Å | ||
| 141 | R | 90.2 | Very high | 90.4 | Very high | 163 Ų | 163 | 65.2 Ų | 65.2 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | trans | -69.8 | 115.7 | 175.2 | -178.4 | 179.3 | 176 | -170.5 | -1.5 | 109.3 | Y60 V143 | Y60-R141 HydrophobicContact CE1-CB 3.99Å; Y60-R141 HydrophobicContact CE1-CG 4.12Å; R141-V143 HydrophobicContact CG-CG2 4.21Å | ||
| 142 | R | 92.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | trans | -114.9 | 140.9 | 170.7 | -50.4 | -165.7 | 69.4 | -179.9 | 0.7 | 109.4 | Y60 P61 E109 H136 S140 | Y60-R142 PolarHBondContact N-O 3.42Å; P61-R142 WeakPolarHBondContact CD-O 3.04Å; E109-R142 IonicContact OE1-CZ 2.88Å; E109-R142 IonicContact OE1-NH1 2.7Å; E109-R142 PolarHBondContact OE1-NH1 2.84Å; E109-R142 IonicContact OE1-NH2 2.75Å; E109-R142 PolarHBondContact OE1-NH2 2.72Å; E109-R142 IonicContact OE2-CZ 2.73Å; E109-R142 IonicContact OE2-NH1 3.46Å; E109-R142 IonicContact OE2-NH2 3.59Å; E109-R142 PolarHBondContact OE2-NH2 2.83Å; H136-R142 PolarHBondContact ND1-NH1 3.24Å; S140-R142 PolarHBondContact O-N 3.43Å | ||
| 143 | V | 94.6 | Very high | 88.5 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 114.4 | 179.8 | -175.6 | 0 | 0 | 0 | 0 | 109 | W58 L59 A90 R141 A145 | W58-V143 WeakPolarHBondContact O-CA 3.49Å; L59-V143 HydrophobicContact CD2-CB 4.37Å; L59-V143 HydrophobicContact CD2-CG1 3.9Å; L59-V143 HydrophobicContact CD2-CG2 3.57Å; A90-V143 CarbonylContact O-C 3.33Å; A90-V143 VanDerWaalsContact O-C 3.27Å; A90-V143 VanDerWaalsContact O-O 3.11Å; R141-V143 HydrophobicContact CG-CG2 4.21Å; V143-A145 HydrophobicContact CG1-CB 4.19Å |
| 144 | A | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 108.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | W58 P61 F89 A90 A92 | W58-A144 HydrophobicContact CB-CB 4.33Å; W58-A144 PolarHBondContact N-O 2.91Å; W58-A144 PolarHBondContact O-N 2.79Å; P61-A144 HydrophobicContact CG-CB 3.94Å; F89-A144 HydrophobicContact CE2-CB 4.19Å; F89-A144 HydrophobicContact CZ-CB 4.13Å; A90-A144 WeakPolarHBondContact O-CA 3.45Å; A90-A144 WeakPolarHBondContact O-CB 3.33Å; A90-A144 PolarHBondContact O-N 3.03Å; A92-A144 HydrophobicContact CB-CB 3.52Å |
| 145 | A | 95.9 | Very high | 85.9 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 E57 V86 F89 V143 | V56-A145 CarbonylContact O-C 3.59Å; V56-A145 WeakPolarHBondContact O-CA 3.5Å; E57-A145 HydrophobicContact CG-CB 3.99Å; V86-A145 HydrophobicContact CB-CB 3.94Å; V86-A145 HydrophobicContact CG2-CB 3.64Å; V86-A145 PolarHBondContact N-O 3.19Å; F89-A145 WeakPolarHBondContact CD2-O 3.47Å; F89-A145 WeakPolarHBondContact CE2-O 2.95Å; V143-A145 HydrophobicContact CG1-CB 4.19Å |
| 146 | F | 95.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 154.1 | 174.3 | 60.8 | -92.3 | 0 | 0 | 0 | 111.3 | A55 V56 L67 L83 R84 F89 V94 L107 L129 L131 | A55-F146 WeakPolarHBondContact CA-O 3.34Å; V56-F146 HydrophobicContact CB-CD1 4.39Å; V56-F146 HydrophobicContact CB-CD2 4.45Å; V56-F146 HydrophobicContact CB-CE1 3.97Å; V56-F146 HydrophobicContact CB-CE2 4.03Å; V56-F146 HydrophobicContact CB-CZ 3.78Å; V56-F146 HydrophobicContact CG1-CE1 4.03Å; V56-F146 HydrophobicContact CG1-CZ 4.06Å; V56-F146 HydrophobicContact CG2-CE1 4.48Å; V56-F146 HydrophobicContact CG2-CE2 3.82Å; V56-F146 HydrophobicContact CG2-CZ 3.79Å; V56-F146 PolarHBondContact N-O 3.33Å; V56-F146 PolarHBondContact O-N 2.82Å; L67-F146 HydrophobicContact CD2-CE2 4.48Å; L67-F146 HydrophobicContact CD2-CZ 4.19Å; L83-F146 HydrophobicContact CB-CD2 4.44Å; L83-F146 HydrophobicContact CD1-CE2 4.5Å; L83-F146 HydrophobicContact CD2-CD2 4.01Å; L83-F146 HydrophobicContact CD2-CE2 3.94Å; R84-F146 CarbonylContact O-C 3.52Å; R84-F146 VanDerWaalsContact O-CA 3.25Å; R84-F146 WeakPolarHBondContact O-CA 3.17Å; R84-F146 WeakPolarHBondContact O-CB 3.22Å; F89-F146 HydrophobicContact CE2-CD1 4.1Å; F89-F146 HydrophobicContact CZ-CD1 4.42Å; V94-F146 HydrophobicContact CG1-CZ 4.49Å; V94-F146 HydrophobicContact CG2-CD1 4.2Å; V94-F146 HydrophobicContact CG2-CE1 3.86Å; L107-F146 HydrophobicContact CD1-CB 4.02Å; L107-F146 HydrophobicContact CD1-CD1 4.28Å; L107-F146 HydrophobicContact CD1-CG 4.16Å; L129-F146 HydrophobicContact CD1-CE2 4.34Å; L129-F146 HydrophobicContact CD1-CZ 4.42Å; L131-F146 HydrophobicContact CD2-CE1 3.68Å; L131-F146 HydrophobicContact CD2-CZ 4.05Å; L131-F146 HydrophobicContact CG-CE1 4.31Å |
| 147 | R | 95 | Very high | 83.7 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 151.5 | 166.4 | -67.8 | 177.1 | 67.2 | 170.8 | 0.4 | 109.8 | E53 G54 A55 L83 R84 F259 | E53-R147 IonicContact OE1-CZ 2.73Å; E53-R147 IonicContact OE1-NE 2.79Å; E53-R147 IonicContact OE1-NH2 3.06Å; E53-R147 PolarHBondContact OE1-NH2 2.71Å; G54-R147 WeakPolarHBondContact O-CA 3.43Å; A55-R147 HydrophobicContact CB-CG 4.24Å; L83-R147 CarbonylContact C-O 3.48Å; L83-R147 WeakPolarHBondContact CA-O 3.38Å; R84-R147 PolarHBondContact N-O 2.76Å; R84-R147 PolarHBondContact O-N 2.68Å; R147-F259 HydrophobicContact CB-CD1 4.26Å; R147-F259 HydrophobicContact CB-CE1 3.85Å |
| 148 | F | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148 | 172.6 | 71.3 | -88.2 | 0 | 0 | 0 | 111.2 | C30 L49 E53 G54 L69 C82 L83 | C30-F148 WeakPolarHBondContact O-CE1 3.27Å; C30-F148 WeakPolarHBondContact O-CZ 2.99Å; L49-F148 HydrophobicContact CB-CE1 4.42Å; L49-F148 HydrophobicContact CB-CZ 4.01Å; L49-F148 HydrophobicContact CD1-CE1 3.57Å; L49-F148 HydrophobicContact CD1-CZ 4.02Å; E53-F148 WeakPolarHBondContact CA-O 3.49Å; E53-F148 WeakPolarHBondContact CG-O 3.41Å; G54-F148 PolarHBondContact N-O 3.08Å; G54-F148 VanDerWaalsContact N-O 3.13Å; G54-F148 WeakPolarHBondContact O-CD1 3.27Å; G54-F148 PolarHBondContact O-N 2.88Å; L69-F148 HydrophobicContact CD1-CD2 4.5Å; L69-F148 HydrophobicContact CD2-CD1 4.32Å; L69-F148 HydrophobicContact CD2-CD2 3.95Å; L69-F148 HydrophobicContact CD2-CE1 4.36Å; L69-F148 HydrophobicContact CD2-CE2 3.99Å; L69-F148 HydrophobicContact CD2-CG 4.12Å; L69-F148 HydrophobicContact CD2-CZ 4.2Å; C82-F148 CarbonylContact O-C 3.5Å; C82-F148 VanDerWaalsContact O-CA 3.23Å; C82-F148 WeakPolarHBondContact O-CA 3.18Å; L83-F148 HydrophobicContact CD2-CB 3.61Å |
| 149 | E | 92.2 | Very high | 81.6 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.4 | 165.5 | -80.1 | 179 | 163.3 | 0 | 0 | 107.9 | A52 E53 A81 C82 R258 F259 | A52-E149 CarbonylContact O-C 3.54Å; A52-E149 WeakPolarHBondContact O-CA 3.26Å; E53-E149 HydrophobicContact CB-CG 4.41Å; E53-E149 HydrophobicContact CG-CG 3.9Å; A81-E149 CarbonylContact C-O 3.27Å; A81-E149 VanDerWaalsContact CA-O 3.22Å; A81-E149 WeakPolarHBondContact CA-O 3.33Å; C82-E149 PolarHBondContact N-O 3Å; C82-E149 PolarHBondContact O-N 2.89Å; E149-R258 WeakPolarHBondContact OE2-CA 2.9Å; E149-F259 HydrophobicContact CB-CE1 4.08Å; E149-F259 HydrophobicContact CB-CZ 4.37Å; E149-F259 HydrophobicContact CG-CD1 3.64Å; E149-F259 HydrophobicContact CG-CE1 3.61Å; E149-F259 HydrophobicContact CG-CG 4.39Å; E149-F259 HydrophobicContact CG-CZ 4.32Å; E149-F259 WeakPolarHBondContact OE1-CA 3.39Å; E149-F259 PolarHBondContact OE1-N 2.91Å; E149-F259 PolarHBondContact OE2-N 3.14Å |
| 150 | L | 89.5 | Confident | 80.7 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.1 | 179.5 | 174.6 | 68.1 | 0 | 0 | 0 | 108.6 | A52 L69 I80 A81 | A52-L150 PolarHBondContact O-N 2.83Å; L69-L150 HydrophobicContact CB-CD2 4.41Å; I80-L150 WeakPolarHBondContact O-CA 3.42Å; A81-L150 HydrophobicContact CB-CD1 4.27Å |
| 151 | R | 84.2 | Confident | 79.2 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.9 | 173.5 | -65.5 | 176.2 | 65.8 | 156.8 | 5.3 | 109.3 | G79 I80 D187 | G79-R151 WeakPolarHBondContact CA-O 3.49Å; I80-R151 PolarHBondContact N-O 3.31Å; I80-R151 PolarHBondContact O-N 2.73Å; R151-D187 IonicContact CZ-OD1 3.35Å; R151-D187 IonicContact CZ-OD2 2.63Å; R151-D187 IonicContact NH1-OD1 2.71Å; R151-D187 PolarHBondContact NH1-OD1 3.3Å; R151-D187 IonicContact NH1-OD2 3.13Å; R151-D187 PolarHBondContact NH1-OD2 3.22Å; R151-D187 IonicContact NH2-OD1 3.43Å; R151-D187 PolarHBondContact NH2-OD1 2.04Å; R151-D187 IonicContact NH2-OD2 3.9Å |
| 152 | E | 80.1 | Confident | 77.3 | Confident | 106 Ų | 106 | 50.9 Ų | 50.9 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.3 | 161.4 | -65.9 | -169.6 | 176.4 | 0 | 0 | 108.5 | R77 G154 | R77-E152 VanDerWaalsContact CD-OE2 3.31Å; R77-E152 WeakPolarHBondContact CD-OE2 3.43Å; R77-E152 IonicContact CZ-OE2 2.76Å; R77-E152 IonicContact NH1-OE2 3.33Å; R77-E152 PolarHBondContact NH1-OE2 3.02Å; E152-G154 PolarHBondContact O-N 3.43Å |
| 153 | D | 72.8 | Confident | 75.6 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | trans | -85.2 | 90.4 | 169.7 | 170 | 16 | 0 | 0 | 0 | 107.8 | P78 I80 R120 R155 P156 H163 | P78-D153 HydrophobicContact CB-CB 3.83Å; P78-D153 WeakPolarHBondContact O-CB 3.17Å; P78-D153 PolarHBondContact O-N 2.95Å; I80-D153 HydrophobicContact CD1-CB 3.99Å; I80-D153 HydrophobicContact CG1-CB 4.08Å; R120-D153 IonicContact CZ-OD2 3.69Å; R120-D153 IonicContact NE-OD2 3.2Å; R120-D153 PolarHBondContact NE-OD2 3.32Å; R120-D153 IonicContact NH2-OD2 2.75Å; R120-D153 PolarHBondContact NH2-OD2 3.48Å; D153-R155 PolarHBondContact O-N 3.47Å; D153-R155 PolarHBondContact OD1-N 3.28Å; D153-P156 WeakPolarHBondContact OD1-CA 3.08Å; D153-P156 WeakPolarHBondContact OD2-CA 3.36Å; D153-H163 IonicContact OD1-CD2 2.66Å; D153-H163 IonicContact OD1-CE1 3.79Å; D153-H163 IonicContact OD1-NE2 3.66Å; D153-H163 PolarHBondContact OD1-NE2 3.24Å; D153-H163 VanDerWaalsContact OD1-NE2 3.14Å | ||
| 154 | G | 66.1 | Low | 73.8 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74.6 | -3.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E152 | E152-G154 PolarHBondContact O-N 3.43Š|
| 155 | R | 66.4 | Low | 72 | Confident | 111 Ų | 111 | 51 Ų | 51 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | trans | -142.9 | 67.7 | -179.3 | -62.3 | -172.4 | -177.9 | -165.5 | 0.6 | 109.9 | D153 E157 L158 H163 | D153-R155 PolarHBondContact O-N 3.47Å; D153-R155 PolarHBondContact OD1-N 3.28Å; R155-E157 PolarHBondContact O-N 2.78Å; R155-L158 HydrophobicContact CB-CB 4.49Å; R155-L158 HydrophobicContact CB-CD1 3.57Å; R155-L158 HydrophobicContact CB-CG 3.77Å; R155-L158 HydrophobicContact CG-CD1 4.2Å; R155-L158 WeakPolarHBondContact O-CB 3.04Å; R155-L158 PolarHBondContact O-N 2.7Å; R155-H163 PolarHBondContact O-CE1 2.74Å; R155-H163 PolarHBondContact O-NE2 3.22Å | ||
| 156 | P | 61.9 | Low | 69.9 | Low | 42 Ų | 42 | 51.7 Ų | 51.7 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.4 | -172.1 | 27.5 | -35.6 | 0 | 0 | 0 | 114 | P78 R120 D153 L158 | P78-P156 HydrophobicContact CB-CB 4.14Å; P78-P156 HydrophobicContact CG-CB 3.82Å; P78-P156 HydrophobicContact CG-CG 4.16Å; R120-P156 VanDerWaalsContact NH2-C 3.26Å; R120-P156 VanDerWaalsContact NH2-CB 3.25Å; R120-P156 PolarHBondContact NH2-O 3.03Å; D153-P156 WeakPolarHBondContact OD1-CA 3.08Å; D153-P156 WeakPolarHBondContact OD2-CA 3.36Å; P156-L158 PolarHBondContact O-N 3.36Å |
| 157 | E | 62.7 | Low | 67.9 | Low | 157 Ų | 157 | 54.9 Ų | 54.9 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.2 | 174.9 | -52.2 | 77 | -162.8 | 0 | 0 | 112 | R155 | R155-E157 PolarHBondContact O-N 2.78Š|
| 158 | L | 60.4 | Low | 65.5 | Low | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -79 | 145.5 | -175 | -64.5 | -177.3 | 0 | 0 | 0 | 112.8 | R155 P156 A162 H163 L181 T185 | R155-L158 HydrophobicContact CB-CB 4.49Å; R155-L158 HydrophobicContact CB-CD1 3.57Å; R155-L158 HydrophobicContact CB-CG 3.77Å; R155-L158 HydrophobicContact CG-CD1 4.2Å; R155-L158 WeakPolarHBondContact O-CB 3.04Å; R155-L158 PolarHBondContact O-N 2.7Å; P156-L158 PolarHBondContact O-N 3.36Å; L158-A162 HydrophobicContact CB-CB 4Å; L158-A162 HydrophobicContact CD1-CB 4.45Å; L158-H163 VanDerWaalsContact CB-CE1 3.45Å; L158-H163 WeakPolarHBondContact CB-CE1 3.18Å; L158-H163 PolarHBondContact O-CE1 3.45Å; L158-H163 VanDerWaalsContact O-CE1 3.22Å; L158-H163 PolarHBondContact O-ND1 2.86Å; L158-L181 HydrophobicContact CD1-CD1 4.02Å; L158-L181 HydrophobicContact CD1-CD2 4.14Å; L158-L181 HydrophobicContact CD1-CG 4.39Å; L158-L181 HydrophobicContact CD2-CD1 3.91Å; L158-L181 HydrophobicContact CD2-CD2 3.31Å; L158-L181 HydrophobicContact CD2-CG 4.19Å; L158-L181 HydrophobicContact CG-CD2 4.25Å; L158-T185 HydrophobicContact CD1-CG2 3.87Å |
| 159 | P | 58.9 | Low | 63.6 | Low | 54 Ų | 54 | 58.1 Ų | 58.1 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | trans | -57 | 150.9 | 177.7 | -24 | 32.8 | 0 | 0 | 0 | 112.2 | Q161 A162 H163 | P159-Q161 PolarHBondContact O-N 2.85Å; P159-A162 WeakPolarHBondContact O-CB 3.5Å; P159-A162 PolarHBondContact O-N 3.47Å; P159-H163 PolarHBondContact O-ND1 2.69Å | ||
| 160 | P | 59.9 | Low | 62.3 | Low | 64 Ų | 64 | 58.2 Ų | 58.2 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -53.8 | -29.1 | 173.8 | -25.7 | 33.7 | 0 | 0 | 0 | 113.4 | H163 G164 L165 | P160-H163 CarbonylContact O-C 3.59Å; P160-H163 WeakPolarHBondContact O-CB 3.31Å; P160-H163 PolarHBondContact O-N 2.9Å; P160-H163 VanDerWaalsContact O-N 3.17Å; P160-G164 PolarHBondContact O-N 2.75Å; P160-L165 HydrophobicContact CB-CB 4.12Å; P160-L165 WeakPolarHBondContact O-CB 3.44Å; P160-L165 PolarHBondContact O-N 3.29Å |
| 161 | Q | 56.6 | Low | 62 | Low | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -63.9 | -40.9 | 175.2 | -66.8 | 154.8 | 36.6 | 0 | 0 | 111.9 | P159 H163 G164 W256 | P159-Q161 PolarHBondContact O-N 2.85Å; Q161-H163 PolarHBondContact O-N 3.11Å; Q161-H163 VanDerWaalsContact O-N 3.13Å; Q161-G164 PolarHBondContact O-N 3.42Å; Q161-W256 WeakPolarHBondContact O-CH2 3.26Å; Q161-W256 VanDerWaalsContact O-CZ2 3.31Å; Q161-W256 WeakPolarHBondContact O-CZ2 3.27Å |
| 162 | A | 49.2 | Very low | 62.2 | Low | 17 Ų | 17 | 60.6 Ų | 60.6 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -66.2 | -12.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L158 P159 L181 W256 | L158-A162 HydrophobicContact CB-CB 4Å; L158-A162 HydrophobicContact CD1-CB 4.45Å; P159-A162 WeakPolarHBondContact O-CB 3.5Å; P159-A162 PolarHBondContact O-N 3.47Å; A162-L181 HydrophobicContact CB-CD2 4.35Å; A162-W256 VanDerWaalsContact O-CE2 3.27Å; A162-W256 WeakPolarHBondContact O-CZ2 3.32Å; A162-W256 PolarHBondContact O-NE1 3.07Å |
| 163 | H | 55.9 | Low | 62.6 | Low | 31 Ų | 31 | 61.1 Ų | 61.1 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -105.5 | 3 | 174.9 | -58.8 | 105.6 | 0 | 0 | 0 | 112.8 | I80 D153 R155 L158 P159 P160 Q161 L165 | I80-H163 HydrophobicContact CD1-CB 3.91Å; D153-H163 IonicContact OD1-CD2 2.66Å; D153-H163 IonicContact OD1-CE1 3.79Å; D153-H163 IonicContact OD1-NE2 3.66Å; D153-H163 PolarHBondContact OD1-NE2 3.24Å; D153-H163 VanDerWaalsContact OD1-NE2 3.14Å; R155-H163 PolarHBondContact O-CE1 2.74Å; R155-H163 PolarHBondContact O-NE2 3.22Å; L158-H163 VanDerWaalsContact CB-CE1 3.45Å; L158-H163 WeakPolarHBondContact CB-CE1 3.18Å; L158-H163 PolarHBondContact O-CE1 3.45Å; L158-H163 VanDerWaalsContact O-CE1 3.22Å; L158-H163 PolarHBondContact O-ND1 2.86Å; P159-H163 PolarHBondContact O-ND1 2.69Å; P160-H163 CarbonylContact O-C 3.59Å; P160-H163 WeakPolarHBondContact O-CB 3.31Å; P160-H163 PolarHBondContact O-N 2.9Å; P160-H163 VanDerWaalsContact O-N 3.17Å; Q161-H163 PolarHBondContact O-N 3.11Å; Q161-H163 VanDerWaalsContact O-N 3.13Å; H163-L165 HydrophobicContact CB-CD1 3.79Å; H163-L165 HydrophobicContact CB-CG 3.7Å; H163-L165 PolarHBondContact O-N 2.82Å |
| 164 | G | 57.2 | Low | 63.4 | Low | 20 Ų | 20 | 62.4 Ų | 62.4 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 20.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P160 Q161 W256 R258 | P160-G164 PolarHBondContact O-N 2.75Å; Q161-G164 PolarHBondContact O-N 3.42Å; G164-W256 VanDerWaalsContact CA-CZ3 3.46Å; G164-R258 PolarHBondContact O-NH2 3.2Å |
| 165 | L | 59 | Low | 64.5 | Low | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -94.3 | -20 | -175.2 | -54.6 | 177.7 | 0 | 0 | 0 | 113.8 | I80 C118 R120 P160 H163 V167 | I80-L165 HydrophobicContact CD1-CD1 3.74Å; I80-L165 HydrophobicContact CD1-CG 4.49Å; I80-L165 HydrophobicContact CG1-CD1 3.85Å; I80-L165 HydrophobicContact CG2-CD1 3.9Å; I80-L165 HydrophobicContact CG2-CD2 3.38Å; I80-L165 HydrophobicContact CG2-CG 4.23Å; C118-L165 HydrophobicContact CB-CD2 3.41Å; C118-L165 VanDerWaalsContact CB-CD2 3.41Å; R120-L165 HydrophobicContact CB-CD1 4.09Å; P160-L165 HydrophobicContact CB-CB 4.12Å; P160-L165 WeakPolarHBondContact O-CB 3.44Å; P160-L165 PolarHBondContact O-N 3.29Å; H163-L165 HydrophobicContact CB-CD1 3.79Å; H163-L165 HydrophobicContact CB-CG 3.7Å; H163-L165 PolarHBondContact O-N 2.82Å; L165-V167 PolarHBondContact O-N 3.06Å | ||
| 166 | G | 52.2 | Low | 65.8 | Low | 23 Ų | 23 | 61.1 Ų | 61.1 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | -76.3 | 116.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A170 | G166-A170 WeakPolarHBondContact O-CB 3.36Š| ||
| 167 | V | 52 | Low | 67.2 | Low | 69 Ų | 69 | 62.5 Ų | 62.5 | 42% | 0.418 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -72.4 | -42.4 | 166 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | L165 R241 | L165-V167 PolarHBondContact O-N 3.06Å; V167-R241 VanDerWaalsContact CG1-NH2 3.31Å; V167-R241 PolarHBondContact O-NH2 3.13Å |
| 168 | D | 44.7 | Very low | 68.5 | Low | 163 Ų | 163 | 56.9 Ų | 56.9 | 87% | 0.872 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -23.7 | -170.8 | -56.6 | -35.8 | 0 | 0 | 0 | 114.3 | ||
| 169 | G | 52.7 | Low | 70 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C171 | G169-C171 VanDerWaalsContact C-N 3.26Å; G169-C171 PolarHBondContact O-N 3.38Å |
| 170 | A | 66.7 | Low | 71.6 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 28% | 0.281 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G166 P239 | G166-A170 WeakPolarHBondContact O-CB 3.36Å; A170-P239 HydrophobicContact CB-CG 4.12Å |
| 171 | C | 83.4 | Confident | 73.1 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -4.3 | -167.1 | -53.4 | 0 | 0 | 0 | 0 | 114.4 | G169 C242 | G169-C171 VanDerWaalsContact C-N 3.26Å; G169-C171 PolarHBondContact O-N 3.38Å; C171-C242 VanDerWaalsContact CA-SG 3.5Å; C171-C242 HydrophobicContact CB-CB 3.67Å; C171-C242 WeakPolarHBondContact CB-SG 3.39Å; C171-C242 WeakPolarHBondContact SG-CA 3.45Å; C171-C242 WeakPolarHBondContact SG-CB 2.88Å; C171-C242 PolarHBondContact SG-N 3.1Å; C171-C242 CovalentContact SG-SG 2.04Å; C171-C242 PolarHBondContact SG-SG 2.91Å |
| 172 | R | 87.1 | Confident | 74.7 | Confident | 115 Ų | 115 | 49.6 Ų | 49.6 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -76.3 | 149.3 | 176.6 | 70.7 | 170.4 | 178.5 | 90.9 | -5.2 | 110.2 | C174 E178 | R172-C174 PolarHBondContact O-N 3.35Å; R172-E178 IonicContact CZ-OE1 3.35Å; R172-E178 IonicContact CZ-OE2 3.45Å; R172-E178 IonicContact NH1-OE1 3.45Å; R172-E178 IonicContact NH1-OE2 2.73Å; R172-E178 PolarHBondContact NH1-OE2 3.44Å; R172-E178 VanDerWaalsContact NH2-CD 3.33Å; R172-E178 IonicContact NH2-OE1 3.56Å; R172-E178 PolarHBondContact NH2-OE1 3.45Å; R172-E178 IonicContact NH2-OE2 2.68Å; R172-E178 PolarHBondContact NH2-OE2 3.13Å |
| 173 | P | 87.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 49 Ų | 49 | 75% | 0.753 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -56 | 137.6 | 167.4 | -23.8 | 34.4 | 0 | 0 | 0 | 111 | ||
| 174 | C | 89.9 | Confident | 78.4 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 137.3 | 173 | -60.7 | 0 | 0 | 0 | 0 | 109.3 | R172 E178 L179 C266 | R172-C174 PolarHBondContact O-N 3.35Å; C174-E178 HydrophobicContact CB-CB 4.05Å; C174-L179 HydrophobicContact CB-CD2 3.54Å; C174-L179 HydrophobicContact CB-CG 4.04Å; C174-C266 HydrophobicContact CB-CB 3.97Å; C174-C266 WeakPolarHBondContact CB-SG 3.09Å; C174-C266 WeakPolarHBondContact SG-CB 3.25Å; C174-C266 CovalentContact SG-SG 2.05Å; C174-C266 PolarHBondContact SG-SG 3.13Å |
| 175 | S | 90.7 | Very high | 79.9 | Confident | 55 Ų | 55 | 48 Ų | 48 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 163.1 | 170.4 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | A177 E178 L179 | S175-A177 VanDerWaalsContact C-N 3.27Å; S175-A177 PolarHBondContact O-N 3.46Å; S175-E178 WeakPolarHBondContact CB-OE2 3.5Å; S175-E178 PolarHBondContact N-OE2 2.98Å; S175-E178 CarbonylContact O-C 3.57Å; S175-E178 WeakPolarHBondContact O-CA 3.38Å; S175-E178 WeakPolarHBondContact O-CB 3.45Å; S175-E178 PolarHBondContact O-N 2.93Å; S175-E178 VanDerWaalsContact OG-CD 3.28Å; S175-E178 VanDerWaalsContact OG-CG 3.26Å; S175-E178 WeakPolarHBondContact OG-CG 3.37Å; S175-E178 PolarHBondContact OG-OE2 3.22Å; S175-L179 WeakPolarHBondContact O-CG 3.45Å; S175-L179 PolarHBondContact O-N 2.92Å |
| 176 | D | 92.7 | Very high | 81.4 | Confident | 92 Ų | 92 | 46.5 Ų | 46.5 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.2 | -44.7 | 178.5 | -71.8 | -9.4 | 0 | 0 | 0 | 112.6 | E178 L179 L180 A276 | D176-E178 VanDerWaalsContact C-N 3.26Å; D176-E178 PolarHBondContact O-N 3.04Å; D176-L179 WeakPolarHBondContact O-CB 3.01Å; D176-L179 PolarHBondContact O-N 3.04Å; D176-L180 WeakPolarHBondContact O-CG 3.01Å; D176-L180 PolarHBondContact O-N 2.72Å; D176-A276 HydrophobicContact CB-CB 4.12Å |
| 177 | A | 90.6 | Very high | 83.2 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 60% | 0.595 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.1 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S175 L181 | S175-A177 VanDerWaalsContact C-N 3.27Å; S175-A177 PolarHBondContact O-N 3.46Å; A177-L181 VanDerWaalsContact O-CB 3.3Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.35Å; A177-L181 VanDerWaalsContact O-N 3.08Å |
| 178 | E | 90.2 | Very high | 85.1 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.6 | -35.4 | 178.9 | -66.4 | 171.9 | 130.7 | 0 | 0 | 112.5 | R172 C174 S175 D176 L181 A182 | R172-E178 IonicContact CZ-OE1 3.35Å; R172-E178 IonicContact CZ-OE2 3.45Å; R172-E178 IonicContact NH1-OE1 3.45Å; R172-E178 IonicContact NH1-OE2 2.73Å; R172-E178 PolarHBondContact NH1-OE2 3.44Å; R172-E178 VanDerWaalsContact NH2-CD 3.33Å; R172-E178 IonicContact NH2-OE1 3.56Å; R172-E178 PolarHBondContact NH2-OE1 3.45Å; R172-E178 IonicContact NH2-OE2 2.68Å; R172-E178 PolarHBondContact NH2-OE2 3.13Å; C174-E178 HydrophobicContact CB-CB 4.05Å; S175-E178 WeakPolarHBondContact CB-OE2 3.5Å; S175-E178 PolarHBondContact N-OE2 2.98Å; S175-E178 CarbonylContact O-C 3.57Å; S175-E178 WeakPolarHBondContact O-CA 3.38Å; S175-E178 WeakPolarHBondContact O-CB 3.45Å; S175-E178 PolarHBondContact O-N 2.93Å; S175-E178 VanDerWaalsContact OG-CD 3.28Å; S175-E178 VanDerWaalsContact OG-CG 3.26Å; S175-E178 WeakPolarHBondContact OG-CG 3.37Å; S175-E178 PolarHBondContact OG-OE2 3.22Å; D176-E178 VanDerWaalsContact C-N 3.26Å; D176-E178 PolarHBondContact O-N 3.04Å; E178-L181 PolarHBondContact O-N 2.98Å; E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.96Å |
| 179 | L | 92.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 173.3 | -68.4 | -177.2 | 0 | 0 | 0 | 110.9 | C174 S175 D176 L181 A182 A183 M254 C266 P268 F273 | C174-L179 HydrophobicContact CB-CD2 3.54Å; C174-L179 HydrophobicContact CB-CG 4.04Å; S175-L179 WeakPolarHBondContact O-CG 3.45Å; S175-L179 PolarHBondContact O-N 2.92Å; D176-L179 WeakPolarHBondContact O-CB 3.01Å; D176-L179 PolarHBondContact O-N 3.04Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.18Å; L179-A182 PolarHBondContact O-N 2.01Å; L179-A183 PolarHBondContact O-N 2.86Å; L179-M254 HydrophobicContact CD2-CE 3.81Å; L179-C266 HydrophobicContact CD2-CB 3.82Å; L179-P268 HydrophobicContact CD1-CB 3.81Å; L179-P268 HydrophobicContact CD1-CG 4.12Å; L179-P268 HydrophobicContact CD2-CB 3.92Å; L179-P268 HydrophobicContact CD2-CG 3.62Å; L179-P268 HydrophobicContact CG-CG 4.45Å; L179-F273 HydrophobicContact CB-CD2 4.11Å; L179-F273 HydrophobicContact CB-CE2 4.38Å |
| 180 | L | 93.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 179 | -64.6 | 169.5 | 0 | 0 | 0 | 111.2 | D176 C184 Y277 A280 P287 | D176-L180 WeakPolarHBondContact O-CG 3.01Å; D176-L180 PolarHBondContact O-N 2.72Å; L180-C184 PolarHBondContact O-SG 3.22Å; L180-Y277 HydrophobicContact CD2-CD2 3.84Å; L180-Y277 HydrophobicContact CD2-CG 4.42Å; L180-A280 HydrophobicContact CD1-CB 3.46Å; L180-A280 VanDerWaalsContact CD1-CB 3.46Å; L180-A280 HydrophobicContact CD2-CB 4.1Å; L180-A280 HydrophobicContact CG-CB 4.44Å; L180-P287 HydrophobicContact CB-CG 3.98Å; L180-P287 WeakPolarHBondContact O-CG 3.28Å |
| 181 | L | 90 | Very high | 90.7 | Very high | 32 Ų | 32 | 34 Ų | 34 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 177.8 | 177.7 | 64.4 | 0 | 0 | 0 | 111.9 | L158 A162 A177 E178 L179 A183 C184 T185 | L158-L181 HydrophobicContact CD1-CD1 4.02Å; L158-L181 HydrophobicContact CD1-CD2 4.14Å; L158-L181 HydrophobicContact CD1-CG 4.39Å; L158-L181 HydrophobicContact CD2-CD1 3.91Å; L158-L181 HydrophobicContact CD2-CD2 3.31Å; L158-L181 HydrophobicContact CD2-CG 4.19Å; L158-L181 HydrophobicContact CG-CD2 4.25Å; A162-L181 HydrophobicContact CB-CD2 4.35Å; A177-L181 VanDerWaalsContact O-CB 3.3Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 PolarHBondContact O-N 3.35Å; A177-L181 VanDerWaalsContact O-N 3.08Å; E178-L181 PolarHBondContact O-N 2.98Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.18Å; L181-A183 VanDerWaalsContact C-N 3.3Å; L181-A183 PolarHBondContact O-N 3.07Å; L181-C184 CarbonylContact O-C 3.58Å; L181-C184 WeakPolarHBondContact O-CA 3.08Å; L181-C184 WeakPolarHBondContact O-CB 3.31Å; L181-C184 PolarHBondContact O-N 3.05Å; L181-T185 HydrophobicContact CD1-CG2 3.73Å; L181-T185 HydrophobicContact CG-CG2 4.28Å; L181-T185 PolarHBondContact O-N 3.13Å; L181-T185 PolarHBondContact O-OG1 2.84Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å |
| 182 | A | 90.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E178 L179 C184 T185 S186 M254 C266 | E178-A182 WeakPolarHBondContact O-CB 3.46Å; E178-A182 PolarHBondContact O-N 2.96Å; L179-A182 PolarHBondContact O-N 2.01Å; A182-C184 PolarHBondContact O-N 2.96Å; A182-C184 VanDerWaalsContact O-N 3.08Å; A182-T185 PolarHBondContact O-N 3.17Å; A182-S186 WeakPolarHBondContact O-CB 3.11Å; A182-S186 PolarHBondContact O-N 2.74Å; A182-S186 PolarHBondContact O-OG 3.08Å; A182-M254 HydrophobicContact CB-CB 4.29Å; A182-M254 HydrophobicContact CB-CE 4.44Å; A182-M254 HydrophobicContact CB-SD 4.07Å; A182-C266 HydrophobicContact CB-CB 4.48Å |
| 183 | A | 93 | Very high | 91.5 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -29.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L179 L181 M254 F273 V290 | L179-A183 PolarHBondContact O-N 2.86Å; L181-A183 VanDerWaalsContact C-N 3.3Å; L181-A183 PolarHBondContact O-N 3.07Å; A183-M254 VanDerWaalsContact CA-SD 3.55Å; A183-M254 HydrophobicContact CB-SD 3.74Å; A183-M254 PolarHBondContact N-SD 2.96Å; A183-M254 VanDerWaalsContact N-SD 3.38Å; A183-F273 HydrophobicContact CB-CE2 3.8Å; A183-F273 HydrophobicContact CB-CZ 3.63Å; A183-V290 HydrophobicContact CB-CG2 4.04Å |
| 184 | C | 90.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -95 | -19.8 | -178.2 | -57.6 | 0 | 0 | 0 | 0 | 114.5 | L180 L181 A182 R217 C288 | L180-C184 PolarHBondContact O-SG 3.22Å; L181-C184 CarbonylContact O-C 3.58Å; L181-C184 WeakPolarHBondContact O-CA 3.08Å; L181-C184 WeakPolarHBondContact O-CB 3.31Å; L181-C184 PolarHBondContact O-N 3.05Å; A182-C184 PolarHBondContact O-N 2.96Å; A182-C184 VanDerWaalsContact O-N 3.08Å; C184-R217 PolarHBondContact O-NH1 3.47Å; C184-C288 WeakPolarHBondContact CA-SG 3.39Å; C184-C288 HydrophobicContact CB-CB 3.83Å; C184-C288 WeakPolarHBondContact CB-SG 3.35Å; C184-C288 WeakPolarHBondContact SG-CB 3.29Å; C184-C288 PolarHBondContact SG-N 3.47Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.27Å |
| 185 | T | 88.2 | Confident | 92 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -115.2 | -18 | -174.3 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | L158 L181 A182 | L158-T185 HydrophobicContact CD1-CG2 3.87Å; L181-T185 HydrophobicContact CD1-CG2 3.73Å; L181-T185 HydrophobicContact CG-CG2 4.28Å; L181-T185 PolarHBondContact O-N 3.13Å; L181-T185 PolarHBondContact O-OG1 2.84Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å; A182-T185 PolarHBondContact O-N 3.17Å |
| 186 | S | 89.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -64.1 | 147.2 | 178.3 | -74.8 | 0 | 0 | 0 | 0 | 111.7 | A182 F188 R217 G255 | A182-S186 WeakPolarHBondContact O-CB 3.11Å; A182-S186 PolarHBondContact O-N 2.74Å; A182-S186 PolarHBondContact O-OG 3.08Å; S186-F188 VanDerWaalsContact CB-O 3.26Å; S186-F188 WeakPolarHBondContact CB-O 3.18Å; S186-F188 PolarHBondContact O-N 3.42Å; S186-R217 PolarHBondContact O-NE 3.48Å; S186-G255 CarbonylContact C-O 3.56Å; S186-G255 WeakPolarHBondContact CA-O 3.35Å; S186-G255 WeakPolarHBondContact CB-O 3.4Å; S186-G255 PolarHBondContact OG-N 2.78Å |
| 187 | D | 89.9 | Confident | 92.4 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -67.1 | -30.4 | 174 | -63.7 | -31.1 | 0 | 0 | 0 | 110.4 | R151 Q218 T219 G255 W256 S257 | R151-D187 IonicContact CZ-OD1 3.35Å; R151-D187 IonicContact CZ-OD2 2.63Å; R151-D187 IonicContact NH1-OD1 2.71Å; R151-D187 PolarHBondContact NH1-OD1 3.3Å; R151-D187 IonicContact NH1-OD2 3.13Å; R151-D187 PolarHBondContact NH1-OD2 3.22Å; R151-D187 IonicContact NH2-OD1 3.43Å; R151-D187 PolarHBondContact NH2-OD1 2.04Å; R151-D187 IonicContact NH2-OD2 3.9Å; D187-Q218 CarbonylContact O-C 3.45Å; D187-Q218 WeakPolarHBondContact O-CA 2.97Å; D187-T219 PolarHBondContact O-N 3.37Å; D187-T219 PolarHBondContact O-OG1 2.8Å; D187-G255 PolarHBondContact N-O 3.36Å; D187-W256 VanDerWaalsContact OD2-CA 3.31Å; D187-W256 WeakPolarHBondContact OD2-CA 3.5Å; D187-W256 WeakPolarHBondContact OD2-CB 3.45Å; D187-S257 PolarHBondContact OD2-N 3.26Å |
| 188 | F | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.4 | 175 | 68.7 | -97.7 | 0 | 0 | 0 | 113 | S186 I190 R217 Q218 L222 F223 I236 F253 M254 G255 A262 | S186-F188 VanDerWaalsContact CB-O 3.26Å; S186-F188 WeakPolarHBondContact CB-O 3.18Å; S186-F188 PolarHBondContact O-N 3.42Å; F188-I190 HydrophobicContact CD2-CG2 4.43Å; F188-R217 CarbonylContact C-O 3.57Å; F188-R217 VanDerWaalsContact CA-O 3.25Å; F188-R217 WeakPolarHBondContact CA-O 3.31Å; F188-Q218 HydrophobicContact CB-CB 4.39Å; F188-L222 HydrophobicContact CD1-CD1 4.09Å; F188-F223 HydrophobicContact CB-CD2 4.28Å; F188-F223 HydrophobicContact CB-CE2 3.59Å; F188-F223 HydrophobicContact CD1-CE2 4.04Å; F188-F223 HydrophobicContact CD1-CZ 4.18Å; F188-F223 AromaticContact CD2-CE2 3.51Å; F188-F223 HydrophobicContact CD2-CE2 3.51Å; F188-F223 AromaticContact CD2-CZ 3.94Å; F188-F223 HydrophobicContact CD2-CZ 3.94Å; F188-F223 HydrophobicContact CE1-CZ 4.34Å; F188-F223 HydrophobicContact CE2-CE2 4.15Å; F188-F223 HydrophobicContact CE2-CZ 4.11Å; F188-F223 AromaticContact CG-CE2 3.44Å; F188-F223 HydrophobicContact CG-CE2 3.44Å; F188-F223 VanDerWaalsContact CG-CE2 3.44Å; F188-F223 AromaticContact CG-CZ 3.98Å; F188-F223 HydrophobicContact CG-CZ 3.98Å; F188-F223 HydrophobicContact CZ-CZ 4.31Å; F188-I236 HydrophobicContact CE2-CD1 4.05Å; F188-I236 HydrophobicContact CZ-CD1 4.41Å; F188-I236 HydrophobicContact CZ-CG2 4.23Å; F188-F253 HydrophobicContact CE2-CB 4.46Å; F188-M254 WeakPolarHBondContact O-CA 3.44Å; F188-G255 VanDerWaalsContact CZ-CA 3.49Å; F188-G255 PolarHBondContact N-O 2.92Å; F188-G255 PolarHBondContact O-N 2.81Å; F188-A262 HydrophobicContact CD1-CB 4.42Å; F188-A262 HydrophobicContact CE1-CB 3.69Å; F188-A262 HydrophobicContact CZ-CB 3.93Å |
| 189 | V | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 113.6 | 170.7 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | L216 R217 L252 F253 M254 | V189-L216 HydrophobicContact CB-CB 4.2Å; V189-L216 HydrophobicContact CG1-CB 4.03Å; V189-L216 HydrophobicContact CG1-CD2 4.31Å; V189-L216 PolarHBondContact O-N 3.03Å; V189-R217 HydrophobicContact CB-CB 4.14Å; V189-R217 HydrophobicContact CG2-CB 4.18Å; V189-R217 PolarHBondContact N-O 3.38Å; V189-R217 PolarHBondContact O-N 3.38Å; V189-R217 VanDerWaalsContact O-N 3.16Å; V189-L252 HydrophobicContact CG1-CD1 3.78Å; V189-L252 HydrophobicContact CG1-CD2 4.01Å; V189-L252 HydrophobicContact CG1-CG 3.88Å; V189-F253 CarbonylContact C-O 3.52Å; V189-F253 WeakPolarHBondContact CA-O 3.26Å; V189-M254 HydrophobicContact CB-CG 4.39Å; V189-M254 HydrophobicContact CG1-CG 3.94Å; V189-M254 HydrophobicContact CG2-CG 4.08Å |
| 190 | I | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.8 | -179.1 | 68.7 | 167.5 | 0 | 0 | 0 | 111.3 | F188 V210 A212 R214 V215 F223 T234 I236 L252 F253 | F188-I190 HydrophobicContact CD2-CG2 4.43Å; I190-V210 HydrophobicContact CD1-CG1 4.11Å; I190-A212 HydrophobicContact CD1-CB 4.47Å; I190-R214 CarbonylContact C-O 3.53Å; I190-R214 WeakPolarHBondContact CA-O 3.45Å; I190-V215 HydrophobicContact CG2-CB 4.36Å; I190-V215 HydrophobicContact CG2-CG1 4.17Å; I190-V215 HydrophobicContact CG2-CG2 3.99Å; I190-F223 HydrophobicContact CD1-CE2 4.29Å; I190-F223 HydrophobicContact CD1-CZ 4.41Å; I190-F223 HydrophobicContact CG2-CD2 3.46Å; I190-F223 VanDerWaalsContact CG2-CD2 3.46Å; I190-F223 HydrophobicContact CG2-CE2 3.63Å; I190-F223 HydrophobicContact CG2-CG 4.36Å; I190-T234 HydrophobicContact CD1-CG2 3.99Å; I190-I236 HydrophobicContact CD1-CD1 3.86Å; I190-I236 HydrophobicContact CG1-CD1 4.44Å; I190-L252 CarbonylContact O-C 3.52Å; I190-L252 WeakPolarHBondContact O-CA 3.21Å; I190-F253 HydrophobicContact CD1-CB 4.35Å; I190-F253 HydrophobicContact CD1-CD2 4.27Å; I190-F253 HydrophobicContact CG1-CB 3.71Å; I190-F253 HydrophobicContact CG1-CD2 3.95Å; I190-F253 HydrophobicContact CG1-CG 4.25Å; I190-F253 PolarHBondContact N-O 3Å; I190-F253 PolarHBondContact O-N 2.84Å |
| 191 | H | 94 | Very high | 92.5 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.7 | 169.2 | 172 | -129.2 | 0 | 0 | 0 | 108.6 | A213 R214 L216 T250 F251 L252 F270 | H191-A213 PolarHBondContact O-N 3.16Å; H191-R214 HydrophobicContact CB-CB 4.42Å; H191-R214 PolarHBondContact N-O 2.84Å; H191-R214 PolarHBondContact O-N 3.37Å; H191-L216 HydrophobicContact CB-CD1 3.74Å; H191-T250 VanDerWaalsContact NE2-CB 3.34Å; H191-T250 WeakPolarHBondContact NE2-CB 3.33Å; H191-T250 PolarHBondContact NE2-OG1 2.84Å; H191-F251 WeakPolarHBondContact CA-O 3.25Å; H191-L252 HydrophobicContact CB-CD1 4.15Å; H191-F270 AromaticContact CD2-CD2 3.48Å; H191-F270 VanDerWaalsContact CD2-CD2 3.48Å; H191-F270 WeakPolarHBondContact CD2-CD2 3.11Å; H191-F270 AromaticContact CD2-CG 3.74Å; H191-F270 AromaticContact NE2-CD2 3.89Å; H191-F270 AromaticContact NE2-CG 3.71Å |
| 192 | G | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -172.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V211 T250 F251 | G192-V211 WeakPolarHBondContact CA-O 3.38Å; G192-T250 WeakPolarHBondContact O-CA 3.38Å; G192-F251 PolarHBondContact N-O 2.85Å; G192-F251 PolarHBondContact O-N 2.71Å |
| 193 | I | 94 | Very high | 91.8 | Very high | 84 Ų | 84 | 41 Ų | 41 | 43% | 0.431 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.6 | -178.8 | -60.4 | 169.7 | 0 | 0 | 0 | 108.6 | H195 V210 V211 T250 | I193-H195 PolarHBondContact O-N 3.48Å; I193-V210 CarbonylContact O-C 3.58Å; I193-V210 WeakPolarHBondContact O-CA 3.3Å; I193-V211 PolarHBondContact N-O 3.24Å; I193-V211 VanDerWaalsContact N-O 3.07Å; I193-V211 PolarHBondContact O-N 3.49Å; I193-T250 HydrophobicContact CD1-CG2 4.29Å; I193-T250 HydrophobicContact CG1-CG2 3.88Å |
| 194 | I | 94.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 114.3 | 172.2 | -57.4 | 174.6 | 0 | 0 | 0 | 108.1 | V197 I208 F251 F253 | I194-V197 HydrophobicContact CG2-CG2 3.94Å; I194-I208 HydrophobicContact CG1-CG2 4.12Å; I194-I208 HydrophobicContact CG2-CG2 3.98Å; I194-F251 HydrophobicContact CD1-CD2 4.15Å; I194-F251 HydrophobicContact CD1-CE2 3.87Å; I194-F251 HydrophobicContact CD1-CZ 4.24Å; I194-F251 HydrophobicContact CG1-CD2 4.07Å; I194-F251 HydrophobicContact CG1-CE2 4.12Å; I194-F253 HydrophobicContact CD1-CZ 4.5Å; I194-F253 HydrophobicContact CG1-CE1 4.18Å; I194-F253 HydrophobicContact CG1-CZ 3.73Å |
| 195 | H | 93.3 | Very high | 91.4 | Very high | 118 Ų | 118 | 46.4 Ų | 46.4 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -40.4 | 172.7 | -177.6 | 71.6 | 0 | 0 | 0 | 111.4 | I193 T209 V211 L233 | I193-H195 PolarHBondContact O-N 3.48Å; H195-T209 HydrophobicContact CB-CG2 4.17Å; H195-T209 WeakPolarHBondContact CB-O 3.45Å; H195-T209 PolarHBondContact N-O 2.69Å; H195-V211 HydrophobicContact CB-CG2 4.14Å; H195-L233 HydrophobicContact CB-CD2 3.89Å |
| 196 | G | 94.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 167.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T209 | G196-T209 PolarHBondContact N-O 3.34Å; G196-T209 PolarHBondContact O-N 2.77Å |
| 197 | V | 96.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.6 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | I194 V207 I208 V244 P246 | I194-V197 HydrophobicContact CG2-CG2 3.94Å; V197-V207 WeakPolarHBondContact CA-O 3.34Å; V197-I208 HydrophobicContact CG2-CG1 4.48Å; V197-I208 HydrophobicContact CG2-CG2 4.35Å; V197-V244 HydrophobicContact CG1-CG1 4.49Å; V197-V244 HydrophobicContact CG2-CG1 4.19Å; V197-P246 HydrophobicContact CB-CG 4.1Å; V197-P246 HydrophobicContact CG2-CG 3.95Å |
| 198 | T | 96 | Very high | 92 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.5 | 172.5 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | S206 V207 | T198-S206 CarbonylContact O-C 3.57Å; T198-S206 WeakPolarHBondContact O-CA 3.41Å; T198-V207 PolarHBondContact N-O 3.2Å; T198-V207 PolarHBondContact O-N 3.1Å |
| 199 | H | 94.8 | Very high | 92.2 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.5 | -177 | -56.6 | -62.6 | 0 | 0 | 0 | 110.1 | S206 L240 | H199-S206 PolarHBondContact ND1-OG 2.85Å; H199-L240 HydrophobicContact CB-CD1 3.76Å; H199-L240 WeakPolarHBondContact ND1-CD1 3.39Å |
| 200 | D | 90.5 | Very high | 92.1 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 98.3 | 172.6 | -170.8 | -33.2 | 0 | 0 | 0 | 108.2 | E202 L203 Q204 E205 | D200-E202 VanDerWaalsContact C-N 3.31Å; D200-E202 PolarHBondContact OD1-N 2.81Å; D200-E202 VanDerWaalsContact OD1-N 3.16Å; D200-L203 HydrophobicContact CB-CB 4.08Å; D200-L203 HydrophobicContact CB-CD1 4.38Å; D200-L203 HydrophobicContact CB-CG 4.36Å; D200-L203 VanDerWaalsContact CG-CG 3.45Å; D200-L203 PolarHBondContact O-N 3.02Å; D200-L203 WeakPolarHBondContact OD1-CG 3.48Å; D200-L203 PolarHBondContact OD1-N 3.47Å; D200-L203 WeakPolarHBondContact OD2-CD1 3.42Å; D200-L203 VanDerWaalsContact OD2-CG 3.25Å; D200-L203 WeakPolarHBondContact OD2-CG 2.98Å; D200-Q204 WeakPolarHBondContact O-CA 3.42Å; D200-Q204 PolarHBondContact O-N 3.41Å; D200-E205 PolarHBondContact N-O 2.78Å; D200-E205 PolarHBondContact O-N 3.16Å |
| 201 | V | 88.2 | Confident | 92 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -28.6 | -177.2 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | Q204 L240 | V201-Q204 PolarHBondContact O-N 2.88Å; V201-Q204 PolarHBondContact O-NE2 2.87Å; V201-L240 HydrophobicContact CG1-CD2 4.3Å |
| 202 | E | 83.5 | Confident | 91.8 | Very high | 160 Ų | 160 | 48.7 Ų | 48.7 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -41.6 | 176.2 | -62.5 | -174.1 | 176.2 | 0 | 0 | 110.2 | D200 Q204 | D200-E202 VanDerWaalsContact C-N 3.31Å; D200-E202 PolarHBondContact OD1-N 2.81Å; D200-E202 VanDerWaalsContact OD1-N 3.16Å; E202-Q204 VanDerWaalsContact C-N 3.3Å |
| 203 | L | 82 | Confident | 91.6 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.1 | 177.2 | -63 | -176.7 | 0 | 0 | 0 | 114.2 | A114 D200 E205 | A114-L203 HydrophobicContact CB-CB 4.37Å; A114-L203 HydrophobicContact CB-CD2 3.26Å; A114-L203 HydrophobicContact CB-CG 4.34Å; D200-L203 HydrophobicContact CB-CB 4.08Å; D200-L203 HydrophobicContact CB-CD1 4.38Å; D200-L203 HydrophobicContact CB-CG 4.36Å; D200-L203 VanDerWaalsContact CG-CG 3.45Å; D200-L203 PolarHBondContact O-N 3.02Å; D200-L203 WeakPolarHBondContact OD1-CG 3.48Å; D200-L203 PolarHBondContact OD1-N 3.47Å; D200-L203 WeakPolarHBondContact OD2-CD1 3.42Å; D200-L203 VanDerWaalsContact OD2-CG 3.25Å; D200-L203 WeakPolarHBondContact OD2-CG 2.98Å; L203-E205 HydrophobicContact CB-CB 4.05Å; L203-E205 HydrophobicContact CB-CG 4.02Å; L203-E205 PolarHBondContact O-N 2.95Å |
| 204 | Q | 86.5 | Confident | 91.5 | Very high | 116 Ų | 116 | 51.8 Ų | 51.8 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 41.8 | -166.6 | -64.6 | -71.6 | -60 | 0 | 0 | 111.3 | D200 V201 E202 L240 | D200-Q204 WeakPolarHBondContact O-CA 3.42Å; D200-Q204 PolarHBondContact O-N 3.41Å; V201-Q204 PolarHBondContact O-N 2.88Å; V201-Q204 PolarHBondContact O-NE2 2.87Å; E202-Q204 VanDerWaalsContact C-N 3.3Å; Q204-L240 WeakPolarHBondContact O-CB 3.41Å; Q204-L240 PolarHBondContact O-N 3.05Å |
| 205 | E | 88.3 | Confident | 91.2 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | -177.9 | -69.1 | -179.8 | 175.8 | 0 | 0 | 111.6 | D200 L203 R237 T238 R263 | D200-E205 PolarHBondContact N-O 2.78Å; D200-E205 PolarHBondContact O-N 3.16Å; L203-E205 HydrophobicContact CB-CB 4.05Å; L203-E205 HydrophobicContact CB-CG 4.02Å; L203-E205 PolarHBondContact O-N 2.95Å; E205-R237 WeakPolarHBondContact OE2-CD 3.39Å; E205-R237 IonicContact OE2-CZ 3.61Å; E205-R237 IonicContact OE2-NH1 2.72Å; E205-R237 PolarHBondContact OE2-NH1 2.88Å; E205-T238 CarbonylContact C-O 3.25Å; E205-T238 WeakPolarHBondContact CA-O 3.15Å; E205-R263 IonicContact OE1-CZ 3.28Å; E205-R263 IonicContact OE1-NH1 3.84Å; E205-R263 PolarHBondContact OE1-NH1 3.39Å; E205-R263 IonicContact OE1-NH2 3.79Å; E205-R263 PolarHBondContact OE1-NH2 3.3Å; E205-R263 IonicContact OE2-NH1 3.17Å; E205-R263 PolarHBondContact OE2-NH1 3.44Å |
| 206 | S | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.7 | 163.6 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | T198 H199 R237 T238 L240 | T198-S206 CarbonylContact O-C 3.57Å; T198-S206 WeakPolarHBondContact O-CA 3.41Å; H199-S206 PolarHBondContact ND1-OG 2.85Å; S206-R237 WeakPolarHBondContact O-CA 3.36Å; S206-T238 PolarHBondContact N-O 3.25Å; S206-T238 PolarHBondContact O-N 3.02Å; S206-L240 WeakPolarHBondContact OG-CD1 3.45Å |
| 207 | V | 94.5 | Very high | 90.9 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.4 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | V197 T198 R237 | V197-V207 WeakPolarHBondContact CA-O 3.34Å; T198-V207 PolarHBondContact N-O 3.2Å; T198-V207 PolarHBondContact O-N 3.1Å; V207-R237 HydrophobicContact CG2-CG 4.37Å |
| 208 | I | 95.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.2 | 176.2 | -50.3 | 170.2 | 0 | 0 | 0 | 107 | I194 V197 V210 S235 I236 T238 V244 F253 L264 | I194-I208 HydrophobicContact CG1-CG2 4.12Å; I194-I208 HydrophobicContact CG2-CG2 3.98Å; V197-I208 HydrophobicContact CG2-CG1 4.48Å; V197-I208 HydrophobicContact CG2-CG2 4.35Å; I208-V210 HydrophobicContact CG2-CG2 3.76Å; I208-S235 WeakPolarHBondContact O-CA 3.34Å; I208-I236 PolarHBondContact N-O 3.49Å; I208-I236 PolarHBondContact O-N 2.96Å; I208-T238 HydrophobicContact CD1-CG2 4.15Å; I208-T238 HydrophobicContact CG1-CG2 4.47Å; I208-V244 HydrophobicContact CD1-CG1 3.85Å; I208-V244 HydrophobicContact CG1-CG1 4.01Å; I208-F253 HydrophobicContact CG2-CE1 4.43Å; I208-L264 HydrophobicContact CD1-CD2 3.88Å |
| 209 | T | 95 | Very high | 90.1 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 18% | 0.184 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.9 | 171.1 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | H195 G196 L233 T234 | H195-T209 HydrophobicContact CB-CG2 4.17Å; H195-T209 WeakPolarHBondContact CB-O 3.45Å; H195-T209 PolarHBondContact N-O 2.69Å; G196-T209 PolarHBondContact N-O 3.34Å; G196-T209 PolarHBondContact O-N 2.77Å; T209-L233 HydrophobicContact CG2-CB 4.36Å; T209-L233 HydrophobicContact CG2-CD2 3.72Å; T209-T234 CarbonylContact C-O 3.54Å; T209-T234 WeakPolarHBondContact CA-O 3.39Å |
| 210 | V | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134 | -174.4 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | I190 I193 I208 L233 T234 I236 F253 | I190-V210 HydrophobicContact CD1-CG1 4.11Å; I193-V210 CarbonylContact O-C 3.58Å; I193-V210 WeakPolarHBondContact O-CA 3.3Å; I208-V210 HydrophobicContact CG2-CG2 3.76Å; V210-L233 CarbonylContact O-C 3.6Å; V210-L233 WeakPolarHBondContact O-CA 3.33Å; V210-T234 HydrophobicContact CB-CG2 4.05Å; V210-T234 PolarHBondContact N-O 2.88Å; V210-T234 PolarHBondContact O-N 2.77Å; V210-I236 HydrophobicContact CG2-CD1 4.12Å; V210-I236 HydrophobicContact CG2-CG1 4.46Å; V210-F253 HydrophobicContact CB-CE2 4.35Å; V210-F253 HydrophobicContact CG1-CD2 3.95Å; V210-F253 HydrophobicContact CG1-CE2 3.47Å; V210-F253 VanDerWaalsContact CG1-CE2 3.47Å; V210-F253 HydrophobicContact CG1-CZ 4.05Å; V210-F253 HydrophobicContact CG2-CD1 4.39Å; V210-F253 HydrophobicContact CG2-CD2 4.34Å; V210-F253 HydrophobicContact CG2-CE1 3.93Å; V210-F253 HydrophobicContact CG2-CE2 3.87Å; V210-F253 HydrophobicContact CG2-CZ 3.63Å |
| 211 | V | 91.8 | Very high | 89.2 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 109.4 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | G192 I193 H195 A213 L233 | G192-V211 WeakPolarHBondContact CA-O 3.38Å; I193-V211 PolarHBondContact N-O 3.24Å; I193-V211 VanDerWaalsContact N-O 3.07Å; I193-V211 PolarHBondContact O-N 3.49Å; H195-V211 HydrophobicContact CB-CG2 4.14Å; V211-A213 PolarHBondContact O-N 2.89Å; V211-L233 HydrophobicContact CG2-CD2 3.52Å; V211-L233 HydrophobicContact CG2-CG 4.42Å |
| 212 | A | 90.3 | Very high | 88.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 110.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I190 G232 T234 | I190-A212 HydrophobicContact CD1-CB 4.47Å; A212-G232 PolarHBondContact N-O 2.87Å; A212-T234 HydrophobicContact CB-CG2 4.42Å |
| 213 | A | 89 | Confident | 88.7 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 61% | 0.612 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H191 V211 | H191-A213 PolarHBondContact O-N 3.16Å; V211-A213 PolarHBondContact O-N 2.89Å |
| 214 | R | 90 | Very high | 88 | Confident | 76 Ų | 76 | 52 Ų | 52 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 138.7 | 176 | -169.4 | 166.9 | 74.1 | -159.4 | 6.8 | 111.3 | I190 H191 L216 A291 L292 H293 | I190-R214 CarbonylContact C-O 3.53Å; I190-R214 WeakPolarHBondContact CA-O 3.45Å; H191-R214 HydrophobicContact CB-CB 4.42Å; H191-R214 PolarHBondContact N-O 2.84Å; H191-R214 PolarHBondContact O-N 3.37Å; R214-L216 HydrophobicContact CB-CD1 4.43Å; R214-L216 HydrophobicContact CG-CD1 4.42Å; R214-A291 PolarHBondContact NH2-O 2.94Å; R214-L292 PolarHBondContact NH2-O 3.3Å; R214-H293 PolarHBondContact NH1-O 3.5Å; R214-H293 PolarHBondContact NH1-OXT 3.13Å |
| 215 | V | 90.2 | Very high | 86.6 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.4 | 167.6 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | I190 Q218 F223 A225 | I190-V215 HydrophobicContact CG2-CB 4.36Å; I190-V215 HydrophobicContact CG2-CG1 4.17Å; I190-V215 HydrophobicContact CG2-CG2 3.99Å; V215-Q218 HydrophobicContact CG1-CB 4.02Å; V215-Q218 HydrophobicContact CG1-CG 3.89Å; V215-F223 HydrophobicContact CG2-CB 4.12Å; V215-A225 HydrophobicContact CG2-CB 4.27Å |
| 216 | L | 90.9 | Very high | 84.9 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -33.7 | 179.1 | -70.3 | 77.3 | 0 | 0 | 0 | 110.7 | V189 H191 R214 L252 V290 L292 | V189-L216 HydrophobicContact CB-CB 4.2Å; V189-L216 HydrophobicContact CG1-CB 4.03Å; V189-L216 HydrophobicContact CG1-CD2 4.31Å; V189-L216 PolarHBondContact O-N 3.03Å; H191-L216 HydrophobicContact CB-CD1 3.74Å; R214-L216 HydrophobicContact CB-CD1 4.43Å; R214-L216 HydrophobicContact CG-CD1 4.42Å; L216-L252 HydrophobicContact CD1-CD1 3.96Å; L216-L252 HydrophobicContact CD2-CD1 4.07Å; L216-V290 HydrophobicContact CD2-CG1 3.91Å; L216-L292 HydrophobicContact CD2-CD2 4.09Å |
| 217 | R | 90.6 | Very high | 82.4 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 36% | 0.362 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 142.7 | 177.3 | 175.7 | 175.1 | 170.8 | 167.2 | -7 | 109.9 | C184 S186 F188 V189 | C184-R217 PolarHBondContact O-NH1 3.47Å; S186-R217 PolarHBondContact O-NE 3.48Å; F188-R217 CarbonylContact C-O 3.57Å; F188-R217 VanDerWaalsContact CA-O 3.25Å; F188-R217 WeakPolarHBondContact CA-O 3.31Å; V189-R217 HydrophobicContact CB-CB 4.14Å; V189-R217 HydrophobicContact CG2-CB 4.18Å; V189-R217 PolarHBondContact N-O 3.38Å; V189-R217 PolarHBondContact O-N 3.38Å; V189-R217 VanDerWaalsContact O-N 3.16Å |
| 218 | Q | 90.1 | Very high | 79.7 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 138.9 | 161.3 | 62.6 | -176.7 | -36.7 | 0 | 0 | 109.6 | D187 F188 V215 P220 L222 F223 | D187-Q218 CarbonylContact O-C 3.45Å; D187-Q218 WeakPolarHBondContact O-CA 2.97Å; F188-Q218 HydrophobicContact CB-CB 4.39Å; V215-Q218 HydrophobicContact CG1-CB 4.02Å; V215-Q218 HydrophobicContact CG1-CG 3.89Å; Q218-P220 PolarHBondContact OE1-O 2.67Å; Q218-L222 VanDerWaalsContact OE1-N 3.14Å; Q218-F223 PolarHBondContact NE2-O 2.86Å; Q218-F223 VanDerWaalsContact NE2-O 3.1Å; Q218-F223 VanDerWaalsContact OE1-N 3.14Å; Q218-F223 PolarHBondContact OE1-O 3Å |
| 219 | T | 85.6 | Confident | 77.5 | Confident | 92 Ų | 92 | 72 Ų | 72 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -94 | -61.6 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | D187 | D187-T219 PolarHBondContact O-N 3.37Å; D187-T219 PolarHBondContact O-OG1 2.8Å |
| 220 | P | 82.5 | Confident | 75.5 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 25% | 0.253 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -79 | 144.1 | 159.7 | 28.4 | -26.1 | 0 | 0 | 0 | 110.3 | Q218 L222 | Q218-P220 PolarHBondContact OE1-O 2.67Å; P220-L222 HydrophobicContact CB-CD2 4.28Å; P220-L222 HydrophobicContact CB-CG 4.28Å; P220-L222 HydrophobicContact CG-CD1 4.19Å; P220-L222 HydrophobicContact CG-CD2 4.24Å; P220-L222 HydrophobicContact CG-CG 3.95Å; P220-L222 PolarHBondContact O-N 2.98Å |
| 221 | P | 83.4 | Confident | 73.7 | Confident | 122 Ų | 122 | 83.7 Ų | 83.7 | 79% | 0.792 | 49% | 0.491 | S | S | * | . | trans | -74.8 | 76.1 | 177.4 | 32.3 | -35.2 | 0 | 0 | 0 | 110.6 | ||||
| 222 | L | 80.5 | Confident | 72.9 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 23% | 0.225 | 49% | 0.485 | C | S | . | . | trans | -82.1 | -24.4 | 178.9 | -60.4 | 178.9 | 0 | 0 | 0 | 112.5 | F188 Q218 P220 G260 A262 | F188-L222 HydrophobicContact CD1-CD1 4.09Å; Q218-L222 VanDerWaalsContact OE1-N 3.14Å; P220-L222 HydrophobicContact CB-CD2 4.28Å; P220-L222 HydrophobicContact CB-CG 4.28Å; P220-L222 HydrophobicContact CG-CD1 4.19Å; P220-L222 HydrophobicContact CG-CD2 4.24Å; P220-L222 HydrophobicContact CG-CG 3.95Å; P220-L222 PolarHBondContact O-N 2.98Å; L222-G260 WeakPolarHBondContact CD2-O 3.13Å; L222-A262 HydrophobicContact CD1-CB 4.06Å | ||
| 223 | F | 79.8 | Confident | 72.6 | Confident | 9 Ų | 9 | 84.5 Ų | 84.5 | 4% | 0.039 | 50% | 0.495 | C | S | . | . | trans | -128.4 | 127.8 | -168.7 | -48.8 | -50.3 | 0 | 0 | 0 | 111 | F188 I190 V215 Q218 T234 I236 A262 | F188-F223 HydrophobicContact CB-CD2 4.28Å; F188-F223 HydrophobicContact CB-CE2 3.59Å; F188-F223 HydrophobicContact CD1-CE2 4.04Å; F188-F223 HydrophobicContact CD1-CZ 4.18Å; F188-F223 AromaticContact CD2-CE2 3.51Å; F188-F223 HydrophobicContact CD2-CE2 3.51Å; F188-F223 AromaticContact CD2-CZ 3.94Å; F188-F223 HydrophobicContact CD2-CZ 3.94Å; F188-F223 HydrophobicContact CE1-CZ 4.34Å; F188-F223 HydrophobicContact CE2-CE2 4.15Å; F188-F223 HydrophobicContact CE2-CZ 4.11Å; F188-F223 AromaticContact CG-CE2 3.44Å; F188-F223 HydrophobicContact CG-CE2 3.44Å; F188-F223 VanDerWaalsContact CG-CE2 3.44Å; F188-F223 AromaticContact CG-CZ 3.98Å; F188-F223 HydrophobicContact CG-CZ 3.98Å; F188-F223 HydrophobicContact CZ-CZ 4.31Å; I190-F223 HydrophobicContact CD1-CE2 4.29Å; I190-F223 HydrophobicContact CD1-CZ 4.41Å; I190-F223 HydrophobicContact CG2-CD2 3.46Å; I190-F223 VanDerWaalsContact CG2-CD2 3.46Å; I190-F223 HydrophobicContact CG2-CE2 3.63Å; I190-F223 HydrophobicContact CG2-CG 4.36Å; V215-F223 HydrophobicContact CG2-CB 4.12Å; Q218-F223 PolarHBondContact NE2-O 2.86Å; Q218-F223 VanDerWaalsContact NE2-O 3.1Å; Q218-F223 VanDerWaalsContact OE1-N 3.14Å; Q218-F223 PolarHBondContact OE1-O 3Å; F223-T234 HydrophobicContact CD1-CG2 3.81Å; F223-T234 WeakPolarHBondContact CD1-OG1 3.44Å; F223-T234 HydrophobicContact CE1-CG2 3.97Å; F223-T234 WeakPolarHBondContact CE1-OG1 3.45Å; F223-I236 HydrophobicContact CZ-CG1 4.45Å; F223-A262 HydrophobicContact CE1-CB 3.81Å; F223-A262 HydrophobicContact CZ-CB 3.54Å | ||
| 224 | Q | 67.6 | Low | 72.6 | Confident | 158 Ų | 158 | 81.8 Ų | 81.8 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | trans | -92.6 | 112.6 | 171.1 | -62 | -173.1 | 15.3 | 0 | 0 | 108.9 | G226 | Q224-G226 PolarHBondContact O-N 2.82Š| ||
| 225 | A | 58 | Low | 72.8 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | trans | -78.9 | 108.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V215 R227 | V215-A225 HydrophobicContact CG2-CB 4.27Å; A225-R227 PolarHBondContact O-N 2.75Å; A225-R227 VanDerWaalsContact O-N 3.13Å | ||
| 226 | G | 52 | Low | 72.9 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 77% | 0.773 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 57.9 | 33.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q224 | Q224-G226 PolarHBondContact O-N 2.82Š|
| 227 | R | 40.3 | Very low | 73 | Confident | 218 Ų | 218 | 80.3 Ų | 80.3 | 82% | 0.823 | 47% | 0.468 | S | S | * | . | trans | -109.1 | 97.5 | 168.4 | -74.9 | -178.1 | 72.2 | 151.6 | 0 | 111.1 | A225 | A225-R227 PolarHBondContact O-N 2.75Å; A225-R227 VanDerWaalsContact O-N 3.13Å | ||
| 228 | S | 37.8 | Very low | 73 | Confident | 121 Ų | 121 | 76 Ų | 76 | 85% | 0.846 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 60.3 | 115.2 | 162.4 | -63.8 | 0 | 0 | 0 | 0 | 119 | D230 | S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 PolarHBondContact O-N 3.19Å; S228-D230 VanDerWaalsContact O-N 3.13Å |
| 229 | G | 48 | Very low | 72.9 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 96% | 0.959 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 88.1 | -35.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 230 | D | 53 | Low | 73 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 73% | 0.733 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -103.3 | 136.6 | 175.2 | -143.5 | -6.7 | 0 | 0 | 0 | 108.9 | S228 G232 | S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 PolarHBondContact O-N 3.19Å; S228-D230 VanDerWaalsContact O-N 3.13Å; D230-G232 PolarHBondContact O-N 2.94Å |
| 231 | Q | 56.6 | Low | 73.3 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | trans | -68.1 | 26.2 | -163.5 | -70.1 | -179.2 | 14.3 | 0 | 0 | 115.9 | L233 | Q231-L233 HydrophobicContact CB-CD1 3.92Å; Q231-L233 HydrophobicContact CB-CG 3.92Å; Q231-L233 PolarHBondContact O-N 2.81Å; Q231-L233 VanDerWaalsContact O-N 3.1Å | ||
| 232 | G | 73.8 | Confident | 73.6 | Confident | 17 Ų | 17 | 72 Ų | 72 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | S | Bend | trans | 59 | 23.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A212 D230 | A212-G232 PolarHBondContact N-O 2.87Å; D230-G232 PolarHBondContact O-N 2.94Å |
| 233 | L | 85.1 | Confident | 74.1 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.2 | 178.9 | -71.8 | 164 | 0 | 0 | 0 | 108.4 | H195 T209 V210 V211 Q231 | H195-L233 HydrophobicContact CB-CD2 3.89Å; T209-L233 HydrophobicContact CG2-CB 4.36Å; T209-L233 HydrophobicContact CG2-CD2 3.72Å; V210-L233 CarbonylContact O-C 3.6Å; V210-L233 WeakPolarHBondContact O-CA 3.33Å; V211-L233 HydrophobicContact CG2-CD2 3.52Å; V211-L233 HydrophobicContact CG2-CG 4.42Å; Q231-L233 HydrophobicContact CB-CD1 3.92Å; Q231-L233 HydrophobicContact CB-CG 3.92Å; Q231-L233 PolarHBondContact O-N 2.81Å; Q231-L233 VanDerWaalsContact O-N 3.1Å |
| 234 | T | 89.4 | Confident | 74.6 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.104 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.9 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | I190 T209 V210 A212 F223 | I190-T234 HydrophobicContact CD1-CG2 3.99Å; T209-T234 CarbonylContact C-O 3.54Å; T209-T234 WeakPolarHBondContact CA-O 3.39Å; V210-T234 HydrophobicContact CB-CG2 4.05Å; V210-T234 PolarHBondContact N-O 2.88Å; V210-T234 PolarHBondContact O-N 2.77Å; A212-T234 HydrophobicContact CB-CG2 4.42Å; F223-T234 HydrophobicContact CD1-CG2 3.81Å; F223-T234 WeakPolarHBondContact CD1-OG1 3.44Å; F223-T234 HydrophobicContact CE1-CG2 3.97Å; F223-T234 WeakPolarHBondContact CE1-OG1 3.45Å |
| 235 | S | 93.3 | Very high | 75.6 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.2 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | I208 | I208-S235 WeakPolarHBondContact O-CA 3.34Å |
| 236 | I | 93.7 | Very high | 77.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.4 | 172.8 | -53.9 | 179.8 | 0 | 0 | 0 | 108.8 | F188 I190 I208 V210 F223 F253 A262 L264 | F188-I236 HydrophobicContact CE2-CD1 4.05Å; F188-I236 HydrophobicContact CZ-CD1 4.41Å; F188-I236 HydrophobicContact CZ-CG2 4.23Å; I190-I236 HydrophobicContact CD1-CD1 3.86Å; I190-I236 HydrophobicContact CG1-CD1 4.44Å; I208-I236 PolarHBondContact N-O 3.49Å; I208-I236 PolarHBondContact O-N 2.96Å; V210-I236 HydrophobicContact CG2-CD1 4.12Å; V210-I236 HydrophobicContact CG2-CG1 4.46Å; F223-I236 HydrophobicContact CZ-CG1 4.45Å; I236-F253 HydrophobicContact CD1-CB 3.61Å; I236-F253 HydrophobicContact CD1-CD1 4.01Å; I236-F253 HydrophobicContact CD1-CG 3.82Å; I236-A262 HydrophobicContact CG1-CB 4.24Å; I236-A262 HydrophobicContact CG2-CB 4.46Å; I236-L264 HydrophobicContact CG2-CB 3.73Å; I236-L264 HydrophobicContact CG2-CD1 4.07Å; I236-L264 HydrophobicContact CG2-CG 4.49Å |
| 237 | R | 91.6 | Very high | 78.6 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 21% | 0.211 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.9 | -178.8 | -67.2 | 172.8 | 174.5 | -92.2 | -2.9 | 111.5 | E205 S206 V207 E261 A262 R263 L264 | E205-R237 WeakPolarHBondContact OE2-CD 3.39Å; E205-R237 IonicContact OE2-CZ 3.61Å; E205-R237 IonicContact OE2-NH1 2.72Å; E205-R237 PolarHBondContact OE2-NH1 2.88Å; S206-R237 WeakPolarHBondContact O-CA 3.36Å; V207-R237 HydrophobicContact CG2-CG 4.37Å; R237-E261 IonicContact NE-OE2 2.58Å; R237-A262 PolarHBondContact N-O 2.83Å; R237-R263 CarbonylContact O-C 3.49Å; R237-R263 WeakPolarHBondContact O-CA 3.4Å; R237-L264 PolarHBondContact O-N 2.91Å |
| 238 | T | 90.3 | Very high | 81 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 4% | 0.037 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.2 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 110 | E205 S206 I208 L240 V244 | E205-T238 CarbonylContact C-O 3.25Å; E205-T238 WeakPolarHBondContact CA-O 3.15Å; S206-T238 PolarHBondContact N-O 3.25Å; S206-T238 PolarHBondContact O-N 3.02Å; I208-T238 HydrophobicContact CD1-CG2 4.15Å; I208-T238 HydrophobicContact CG1-CG2 4.47Å; T238-L240 PolarHBondContact O-N 2.86Å; T238-V244 HydrophobicContact CG2-CB 4.42Å; T238-V244 HydrophobicContact CG2-CG2 3.64Å |
| 239 | P | 88.1 | Confident | 83.6 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 138.5 | 178.2 | -25.1 | 35.4 | 0 | 0 | 0 | 113.3 | A170 R241 C242 | A170-P239 HydrophobicContact CB-CG 4.12Å; P239-R241 VanDerWaalsContact C-N 3.26Å; P239-R241 HydrophobicContact CB-CG 4.07Å; P239-R241 PolarHBondContact O-N 2.77Å; P239-C242 WeakPolarHBondContact O-CB 3.43Å; P239-C242 PolarHBondContact O-N 3.01Å |
| 240 | L | 89.1 | Confident | 85.9 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 20% | 0.199 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.7 | -37.9 | -179 | -178.6 | 61 | 0 | 0 | 0 | 112.9 | H199 V201 Q204 S206 T238 C242 G243 | H199-L240 HydrophobicContact CB-CD1 3.76Å; H199-L240 WeakPolarHBondContact ND1-CD1 3.39Å; V201-L240 HydrophobicContact CG1-CD2 4.3Å; Q204-L240 WeakPolarHBondContact O-CB 3.41Å; Q204-L240 PolarHBondContact O-N 3.05Å; S206-L240 WeakPolarHBondContact OG-CD1 3.45Å; T238-L240 PolarHBondContact O-N 2.86Å; L240-C242 PolarHBondContact O-N 2.8Å; L240-G243 PolarHBondContact O-N 2.82Å |
| 241 | R | 88.7 | Confident | 87.9 | Confident | 139 Ų | 139 | 54.3 Ų | 54.3 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -59.1 | -16.2 | 176.8 | 67.2 | 174.7 | 176.5 | -74.3 | -11.8 | 114.7 | V167 P239 G243 | V167-R241 VanDerWaalsContact CG1-NH2 3.31Å; V167-R241 PolarHBondContact O-NH2 3.13Å; P239-R241 VanDerWaalsContact C-N 3.26Å; P239-R241 HydrophobicContact CB-CG 4.07Å; P239-R241 PolarHBondContact O-N 2.77Å; R241-G243 PolarHBondContact O-N 3.3Å |
| 242 | C | 89.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -72.9 | -12 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | C171 P239 L240 V244 | C171-C242 VanDerWaalsContact CA-SG 3.5Å; C171-C242 HydrophobicContact CB-CB 3.67Å; C171-C242 WeakPolarHBondContact CB-SG 3.39Å; C171-C242 WeakPolarHBondContact SG-CA 3.45Å; C171-C242 WeakPolarHBondContact SG-CB 2.88Å; C171-C242 PolarHBondContact SG-N 3.1Å; C171-C242 CovalentContact SG-SG 2.04Å; C171-C242 PolarHBondContact SG-SG 2.91Å; P239-C242 WeakPolarHBondContact O-CB 3.43Å; P239-C242 PolarHBondContact O-N 3.01Å; L240-C242 PolarHBondContact O-N 2.8Å; C242-V244 HydrophobicContact CB-CG2 4.24Å; C242-V244 PolarHBondContact O-N 2.8Å |
| 243 | G | 90.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 47 Ų | 47 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | trans | 59.1 | 46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L240 R241 H245 | L240-G243 PolarHBondContact O-N 2.82Å; R241-G243 PolarHBondContact O-N 3.3Å; G243-H245 PolarHBondContact O-CE1 3.07Å; G243-H245 PolarHBondContact O-N 2.89Å; G243-H245 PolarHBondContact O-ND1 3.27Å | ||
| 244 | V | 91.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -72.8 | 130.9 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | V197 I208 T238 C242 | V197-V244 HydrophobicContact CG1-CG1 4.49Å; V197-V244 HydrophobicContact CG2-CG1 4.19Å; I208-V244 HydrophobicContact CD1-CG1 3.85Å; I208-V244 HydrophobicContact CG1-CG1 4.01Å; T238-V244 HydrophobicContact CG2-CB 4.42Å; T238-V244 HydrophobicContact CG2-CG2 3.64Å; C242-V244 HydrophobicContact CB-CG2 4.24Å; C242-V244 PolarHBondContact O-N 2.8Å | ||
| 245 | H | 88.6 | Confident | 91.3 | Very high | 136 Ų | 136 | 43.1 Ų | 43.1 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | trans | -123.2 | 149.7 | 177.3 | -61.4 | 85.9 | 0 | 0 | 0 | 109.8 | G243 | G243-H245 PolarHBondContact O-CE1 3.07Å; G243-H245 PolarHBondContact O-N 2.89Å; G243-H245 PolarHBondContact O-ND1 3.27Å | ||
| 246 | P | 87.7 | Confident | 91 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | trans | -57 | 140.2 | 169.6 | -19.6 | 31 | 0 | 0 | 0 | 110.5 | V197 | V197-P246 HydrophobicContact CB-CG 4.1Å; V197-P246 HydrophobicContact CG2-CG 3.95Å | ||
| 247 | G | 84.2 | Confident | 90.7 | Very high | 28 Ų | 28 | 42 Ų | 42 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -150.5 | 150.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 248 | P | 90.5 | Very high | 90.5 | Very high | 112 Ų | 112 | 40.6 Ų | 40.6 | 73% | 0.727 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71 | 153.7 | 178.9 | 31 | -35.5 | 0 | 0 | 0 | 111.3 | ||
| 249 | G | 93.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 41 Ų | 41 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 115.8 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 250 | T | 95 | Very high | 90.3 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | trans | -106.7 | 141.1 | 175.6 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | H191 G192 I193 F270 | H191-T250 VanDerWaalsContact NE2-CB 3.34Å; H191-T250 WeakPolarHBondContact NE2-CB 3.33Å; H191-T250 PolarHBondContact NE2-OG1 2.84Å; G192-T250 WeakPolarHBondContact O-CA 3.38Å; I193-T250 HydrophobicContact CD1-CG2 4.29Å; I193-T250 HydrophobicContact CG1-CG2 3.88Å; T250-F270 PolarHBondContact O-N 3.35Å; T250-F270 WeakPolarHBondContact OG1-CB 3.09Å | ||
| 251 | F | 95.7 | Very high | 90.3 | Very high | 26 Ų | 26 | 43 Ų | 43 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153 | -174.5 | -60.4 | -93.3 | 0 | 0 | 0 | 110 | H191 G192 I194 F253 P268 R269 | H191-F251 WeakPolarHBondContact CA-O 3.25Å; G192-F251 PolarHBondContact N-O 2.85Å; G192-F251 PolarHBondContact O-N 2.71Å; I194-F251 HydrophobicContact CD1-CD2 4.15Å; I194-F251 HydrophobicContact CD1-CE2 3.87Å; I194-F251 HydrophobicContact CD1-CZ 4.24Å; I194-F251 HydrophobicContact CG1-CD2 4.07Å; I194-F251 HydrophobicContact CG1-CE2 4.12Å; F251-F253 HydrophobicContact CB-CD2 4.21Å; F251-F253 HydrophobicContact CB-CE1 4.13Å; F251-F253 HydrophobicContact CB-CE2 3.66Å; F251-F253 HydrophobicContact CB-CZ 3.61Å; F251-F253 HydrophobicContact CD2-CZ 4.27Å; F251-F253 HydrophobicContact CG-CZ 4.18Å; F251-P268 WeakPolarHBondContact CA-O 3.1Å; F251-R269 HydrophobicContact CD1-CG 4.21Å; F251-R269 HydrophobicContact CE1-CG 3.88Å |
| 252 | L | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 105.5 | 167.4 | -166.7 | 74.6 | 0 | 0 | 0 | 108.1 | V189 I190 H191 L216 M254 A267 P268 F270 F273 | V189-L252 HydrophobicContact CG1-CD1 3.78Å; V189-L252 HydrophobicContact CG1-CD2 4.01Å; V189-L252 HydrophobicContact CG1-CG 3.88Å; I190-L252 CarbonylContact O-C 3.52Å; I190-L252 WeakPolarHBondContact O-CA 3.21Å; H191-L252 HydrophobicContact CB-CD1 4.15Å; L216-L252 HydrophobicContact CD1-CD1 3.96Å; L216-L252 HydrophobicContact CD2-CD1 4.07Å; L252-M254 HydrophobicContact CD2-CE 4.24Å; L252-M254 HydrophobicContact CD2-CG 4.4Å; L252-M254 HydrophobicContact CD2-SD 3.98Å; L252-M254 HydrophobicContact CG-CG 4.36Å; L252-A267 WeakPolarHBondContact O-CA 3.1Å; L252-P268 HydrophobicContact CB-CG 4.3Å; L252-P268 PolarHBondContact N-O 2.78Å; L252-P268 VanDerWaalsContact O-CD 3.3Å; L252-P268 WeakPolarHBondContact O-CD 3.3Å; L252-F270 HydrophobicContact CD1-CD2 4.38Å; L252-F273 HydrophobicContact CD2-CB 4.2Å; L252-F273 HydrophobicContact CD2-CD1 3.55Å; L252-F273 HydrophobicContact CD2-CD2 3.73Å; L252-F273 HydrophobicContact CD2-CE1 3.8Å; L252-F273 HydrophobicContact CD2-CE2 3.97Å; L252-F273 HydrophobicContact CD2-CG 3.52Å; L252-F273 HydrophobicContact CD2-CZ 4Å |
| 253 | F | 94.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.7 | 178.9 | -52.1 | -93.7 | 0 | 0 | 0 | 109.8 | F188 V189 I190 I194 I208 V210 I236 F251 L264 A267 | F188-F253 HydrophobicContact CE2-CB 4.46Å; V189-F253 CarbonylContact C-O 3.52Å; V189-F253 WeakPolarHBondContact CA-O 3.26Å; I190-F253 HydrophobicContact CD1-CB 4.35Å; I190-F253 HydrophobicContact CD1-CD2 4.27Å; I190-F253 HydrophobicContact CG1-CB 3.71Å; I190-F253 HydrophobicContact CG1-CD2 3.95Å; I190-F253 HydrophobicContact CG1-CG 4.25Å; I190-F253 PolarHBondContact N-O 3Å; I190-F253 PolarHBondContact O-N 2.84Å; I194-F253 HydrophobicContact CD1-CZ 4.5Å; I194-F253 HydrophobicContact CG1-CE1 4.18Å; I194-F253 HydrophobicContact CG1-CZ 3.73Å; I208-F253 HydrophobicContact CG2-CE1 4.43Å; V210-F253 HydrophobicContact CB-CE2 4.35Å; V210-F253 HydrophobicContact CG1-CD2 3.95Å; V210-F253 HydrophobicContact CG1-CE2 3.47Å; V210-F253 VanDerWaalsContact CG1-CE2 3.47Å; V210-F253 HydrophobicContact CG1-CZ 4.05Å; V210-F253 HydrophobicContact CG2-CD1 4.39Å; V210-F253 HydrophobicContact CG2-CD2 4.34Å; V210-F253 HydrophobicContact CG2-CE1 3.93Å; V210-F253 HydrophobicContact CG2-CE2 3.87Å; V210-F253 HydrophobicContact CG2-CZ 3.63Å; I236-F253 HydrophobicContact CD1-CB 3.61Å; I236-F253 HydrophobicContact CD1-CD1 4.01Å; I236-F253 HydrophobicContact CD1-CG 3.82Å; F251-F253 HydrophobicContact CB-CD2 4.21Å; F251-F253 HydrophobicContact CB-CE1 4.13Å; F251-F253 HydrophobicContact CB-CE2 3.66Å; F251-F253 HydrophobicContact CB-CZ 3.61Å; F251-F253 HydrophobicContact CD2-CZ 4.27Å; F251-F253 HydrophobicContact CG-CZ 4.18Å; F253-L264 HydrophobicContact CB-CD1 4.28Å; F253-L264 HydrophobicContact CD1-CD1 4.05Å; F253-A267 HydrophobicContact CD1-CB 4Å; F253-A267 HydrophobicContact CE1-CB 4.38Å |
| 254 | M | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.8 | -179.4 | -62.5 | 177 | -78 | 0 | 0 | 108.6 | L179 A182 A183 F188 V189 L252 G265 C266 P268 F273 | L179-M254 HydrophobicContact CD2-CE 3.81Å; A182-M254 HydrophobicContact CB-CB 4.29Å; A182-M254 HydrophobicContact CB-CE 4.44Å; A182-M254 HydrophobicContact CB-SD 4.07Å; A183-M254 VanDerWaalsContact CA-SD 3.55Å; A183-M254 HydrophobicContact CB-SD 3.74Å; A183-M254 PolarHBondContact N-SD 2.96Å; A183-M254 VanDerWaalsContact N-SD 3.38Å; F188-M254 WeakPolarHBondContact O-CA 3.44Å; V189-M254 HydrophobicContact CB-CG 4.39Å; V189-M254 HydrophobicContact CG1-CG 3.94Å; V189-M254 HydrophobicContact CG2-CG 4.08Å; L252-M254 HydrophobicContact CD2-CE 4.24Å; L252-M254 HydrophobicContact CD2-CG 4.4Å; L252-M254 HydrophobicContact CD2-SD 3.98Å; L252-M254 HydrophobicContact CG-CG 4.36Å; M254-G265 WeakPolarHBondContact O-CA 3.43Å; M254-G265 PolarHBondContact O-N 3.08Å; M254-C266 HydrophobicContact CB-CB 4.43Å; M254-C266 HydrophobicContact CE-CB 3.76Å; M254-C266 PolarHBondContact N-O 2.58Å; M254-C266 PolarHBondContact O-N 3.22Å; M254-P268 HydrophobicContact CE-CG 3.85Å; M254-F273 HydrophobicContact CE-CD2 4.21Å; M254-F273 HydrophobicContact CE-CE2 4.38Å; M254-F273 HydrophobicContact SD-CE2 4.31Å |
| 255 | G | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -165.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | S186 D187 F188 R263 | S186-G255 CarbonylContact C-O 3.56Å; S186-G255 WeakPolarHBondContact CA-O 3.35Å; S186-G255 WeakPolarHBondContact CB-O 3.4Å; S186-G255 PolarHBondContact OG-N 2.78Å; D187-G255 PolarHBondContact N-O 3.36Å; F188-G255 VanDerWaalsContact CZ-CA 3.49Å; F188-G255 PolarHBondContact N-O 2.92Å; F188-G255 PolarHBondContact O-N 2.81Å; G255-R263 CarbonylContact C-O 3.59Å; G255-R263 WeakPolarHBondContact CA-O 3.42Å |
| 256 | W | 88.6 | Confident | 90.6 | Very high | 22 Ų | 22 | 30 Ų | 30 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.4 | -173.6 | -51.5 | -89.6 | 0 | 0 | 0 | 111.1 | Q161 A162 G164 D187 R263 G265 | Q161-W256 WeakPolarHBondContact O-CH2 3.26Å; Q161-W256 VanDerWaalsContact O-CZ2 3.31Å; Q161-W256 WeakPolarHBondContact O-CZ2 3.27Å; A162-W256 VanDerWaalsContact O-CE2 3.27Å; A162-W256 WeakPolarHBondContact O-CZ2 3.32Å; A162-W256 PolarHBondContact O-NE1 3.07Å; G164-W256 VanDerWaalsContact CA-CZ3 3.46Å; D187-W256 VanDerWaalsContact OD2-CA 3.31Å; D187-W256 WeakPolarHBondContact OD2-CA 3.5Å; D187-W256 WeakPolarHBondContact OD2-CB 3.45Å; W256-R263 PolarHBondContact N-O 3.25Å; W256-R263 PolarHBondContact O-N 3.48Å; W256-G265 VanDerWaalsContact CH2-CA 3.46Å |
| 257 | S | 87.2 | Confident | 90.9 | Very high | 17 Ų | 17 | 28 Ų | 28 | 12% | 0.119 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.7 | 166 | -165.1 | 0 | 0 | 0 | 0 | 109.5 | D187 E261 | D187-S257 PolarHBondContact OD2-N 3.26Å; S257-E261 CarbonylContact C-O 3.53Å; S257-E261 WeakPolarHBondContact CA-O 3.49Å |
| 258 | R | 86.5 | Confident | 91.4 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 115.2 | 171 | -166.8 | -175.1 | -67.4 | 171.2 | 0.6 | 109.6 | C82 R84 C118 E149 G164 G260 E261 R263 | C82-R258 HydrophobicContact CB-CG 4.26Å; C82-R258 PolarHBondContact SG-NE 2.97Å; C82-R258 VanDerWaalsContact SG-NE 3.43Å; R84-R258 PolarHBondContact NH2-O 3.08Å; C118-R258 PolarHBondContact SG-NE 3.23Å; C118-R258 PolarHBondContact SG-NH1 2.63Å; C118-R258 PolarHBondContact SG-NH2 3.35Å; E149-R258 WeakPolarHBondContact OE2-CA 2.9Å; G164-R258 PolarHBondContact O-NH2 3.2Å; R258-G260 VanDerWaalsContact C-N 3.29Å; R258-G260 PolarHBondContact O-N 2.83Å; R258-E261 PolarHBondContact N-O 3.37Å; R258-E261 WeakPolarHBondContact O-CB 3.41Å; R258-E261 PolarHBondContact O-N 3.38Å; R258-E261 VanDerWaalsContact O-N 3.11Å; R258-R263 HydrophobicContact CB-CG 3.92Å |
| 259 | F | 87.3 | Confident | 91.6 | Very high | 14 Ų | 14 | 29 Ų | 29 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 47 | -174.8 | -54.3 | -74.6 | 0 | 0 | 0 | 112 | C82 R84 R147 E149 E261 | C82-F259 HydrophobicContact CB-CE2 4.08Å; C82-F259 HydrophobicContact CB-CZ 4.22Å; C82-F259 WeakPolarHBondContact O-CZ 3.21Å; R84-F259 HydrophobicContact CB-CD1 4.46Å; R84-F259 HydrophobicContact CB-CD2 3.81Å; R84-F259 HydrophobicContact CB-CE1 4.12Å; R84-F259 HydrophobicContact CB-CE2 3.46Å; R84-F259 VanDerWaalsContact CB-CE2 3.46Å; R84-F259 HydrophobicContact CB-CG 4.32Å; R84-F259 HydrophobicContact CB-CZ 3.61Å; R84-F259 VanDerWaalsContact CZ-CD2 3.5Å; R84-F259 VanDerWaalsContact NE-CD2 3.3Å; R147-F259 HydrophobicContact CB-CD1 4.26Å; R147-F259 HydrophobicContact CB-CE1 3.85Å; E149-F259 HydrophobicContact CB-CE1 4.08Å; E149-F259 HydrophobicContact CB-CZ 4.37Å; E149-F259 HydrophobicContact CG-CD1 3.64Å; E149-F259 HydrophobicContact CG-CE1 3.61Å; E149-F259 HydrophobicContact CG-CG 4.39Å; E149-F259 HydrophobicContact CG-CZ 4.32Å; E149-F259 WeakPolarHBondContact OE1-CA 3.39Å; E149-F259 PolarHBondContact OE1-N 2.91Å; E149-F259 PolarHBondContact OE2-N 3.14Å; F259-E261 PolarHBondContact O-N 3.35Å |
| 260 | G | 87.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 28.3 Ų | 28.3 | 58% | 0.577 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L222 R258 | L222-G260 WeakPolarHBondContact CD2-O 3.13Å; R258-G260 VanDerWaalsContact C-N 3.29Å; R258-G260 PolarHBondContact O-N 2.83Å |
| 261 | E | 88 | Confident | 91.7 | Very high | 51 Ų | 51 | 30.3 Ų | 30.3 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.9 | 178.6 | -66.3 | 162.5 | -160.8 | 0 | 0 | 111.3 | R84 R237 S257 R258 F259 R263 | R84-E261 IonicContact CZ-OE1 3.65Å; R84-E261 VanDerWaalsContact CZ-OE1 3.28Å; R84-E261 IonicContact CZ-OE2 3.66Å; R84-E261 IonicContact NH1-OE1 2.94Å; R84-E261 PolarHBondContact NH1-OE1 2.79Å; R84-E261 IonicContact NH1-OE2 3.86Å; R84-E261 IonicContact NH2-OE1 3.97Å; R84-E261 PolarHBondContact NH2-OE1 2.88Å; R84-E261 IonicContact NH2-OE2 2.81Å; R84-E261 PolarHBondContact NH2-OE2 3.47Å; R237-E261 IonicContact NE-OE2 2.58Å; S257-E261 CarbonylContact C-O 3.53Å; S257-E261 WeakPolarHBondContact CA-O 3.49Å; R258-E261 PolarHBondContact N-O 3.37Å; R258-E261 WeakPolarHBondContact O-CB 3.41Å; R258-E261 PolarHBondContact O-N 3.38Å; R258-E261 VanDerWaalsContact O-N 3.11Å; F259-E261 PolarHBondContact O-N 3.35Å; E261-R263 IonicContact OE2-NH1 3.89Å |
| 262 | A | 91.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 5% | 0.05 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F188 L222 F223 I236 R237 | F188-A262 HydrophobicContact CD1-CB 4.42Å; F188-A262 HydrophobicContact CE1-CB 3.69Å; F188-A262 HydrophobicContact CZ-CB 3.93Å; L222-A262 HydrophobicContact CD1-CB 4.06Å; F223-A262 HydrophobicContact CE1-CB 3.81Å; F223-A262 HydrophobicContact CZ-CB 3.54Å; I236-A262 HydrophobicContact CG1-CB 4.24Å; I236-A262 HydrophobicContact CG2-CB 4.46Å; R237-A262 PolarHBondContact N-O 2.83Å |
| 263 | R | 90.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 12% | 0.121 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.3 | 176.6 | -51.9 | -66.6 | -85.6 | -161.2 | 2.7 | 109.2 | E205 R237 G255 W256 R258 E261 | E205-R263 IonicContact OE1-CZ 3.28Å; E205-R263 IonicContact OE1-NH1 3.84Å; E205-R263 PolarHBondContact OE1-NH1 3.39Å; E205-R263 IonicContact OE1-NH2 3.79Å; E205-R263 PolarHBondContact OE1-NH2 3.3Å; E205-R263 IonicContact OE2-NH1 3.17Å; E205-R263 PolarHBondContact OE2-NH1 3.44Å; R237-R263 CarbonylContact O-C 3.49Å; R237-R263 WeakPolarHBondContact O-CA 3.4Å; G255-R263 CarbonylContact C-O 3.59Å; G255-R263 WeakPolarHBondContact CA-O 3.42Å; W256-R263 PolarHBondContact N-O 3.25Å; W256-R263 PolarHBondContact O-N 3.48Å; R258-R263 HydrophobicContact CB-CG 3.92Å; E261-R263 IonicContact OE2-NH1 3.89Å |
| 264 | L | 91.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.2 | -178.2 | -169.6 | 65.4 | 0 | 0 | 0 | 111.6 | I208 I236 R237 F253 A267 | I208-L264 HydrophobicContact CD1-CD2 3.88Å; I236-L264 HydrophobicContact CG2-CB 3.73Å; I236-L264 HydrophobicContact CG2-CD1 4.07Å; I236-L264 HydrophobicContact CG2-CG 4.49Å; R237-L264 PolarHBondContact O-N 2.91Å; F253-L264 HydrophobicContact CB-CD1 4.28Å; F253-L264 HydrophobicContact CD1-CD1 4.05Å; L264-A267 HydrophobicContact CD1-CB 4.03Å; L264-A267 HydrophobicContact CD2-CB 4.18Å |
| 265 | G | 89.7 | Confident | 92 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -67 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M254 W256 | M254-G265 WeakPolarHBondContact O-CA 3.43Å; M254-G265 PolarHBondContact O-N 3.08Å; W256-G265 VanDerWaalsContact CH2-CA 3.46Å |
| 266 | C | 92.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.2 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | C174 L179 A182 M254 | C174-C266 HydrophobicContact CB-CB 3.97Å; C174-C266 WeakPolarHBondContact CB-SG 3.09Å; C174-C266 WeakPolarHBondContact SG-CB 3.25Å; C174-C266 CovalentContact SG-SG 2.05Å; C174-C266 PolarHBondContact SG-SG 3.13Å; L179-C266 HydrophobicContact CD2-CB 3.82Å; A182-C266 HydrophobicContact CB-CB 4.48Å; M254-C266 HydrophobicContact CB-CB 4.43Å; M254-C266 HydrophobicContact CE-CB 3.76Å; M254-C266 PolarHBondContact N-O 2.58Å; M254-C266 PolarHBondContact O-N 3.22Å |
| 267 | A | 94.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | trans | -140.6 | 62.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L252 F253 L264 | L252-A267 WeakPolarHBondContact O-CA 3.1Å; F253-A267 HydrophobicContact CD1-CB 4Å; F253-A267 HydrophobicContact CE1-CB 4.38Å; L264-A267 HydrophobicContact CD1-CB 4.03Å; L264-A267 HydrophobicContact CD2-CB 4.18Å | ||
| 268 | P | 95 | Very high | 93 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | trans | -63.9 | 160.3 | 173.3 | 32.9 | -40.7 | 0 | 0 | 0 | 110.8 | L179 F251 L252 M254 E272 F273 | L179-P268 HydrophobicContact CD1-CB 3.81Å; L179-P268 HydrophobicContact CD1-CG 4.12Å; L179-P268 HydrophobicContact CD2-CB 3.92Å; L179-P268 HydrophobicContact CD2-CG 3.62Å; L179-P268 HydrophobicContact CG-CG 4.45Å; F251-P268 WeakPolarHBondContact CA-O 3.1Å; L252-P268 HydrophobicContact CB-CG 4.3Å; L252-P268 PolarHBondContact N-O 2.78Å; L252-P268 VanDerWaalsContact O-CD 3.3Å; L252-P268 WeakPolarHBondContact O-CD 3.3Å; M254-P268 HydrophobicContact CE-CG 3.85Å; P268-E272 HydrophobicContact CB-CB 4.48Å; P268-F273 HydrophobicContact CB-CB 4.44Å; P268-F273 HydrophobicContact CG-CB 3.94Å; P268-F273 HydrophobicContact CG-CD2 4.41Å | ||
| 269 | R | 95.5 | Very high | 93.4 | Very high | 151 Ų | 151 | 48.9 Ų | 48.9 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | B | Isolated β-bridge | trans | -63 | 144 | 163.1 | -71.4 | -174.9 | 174 | -169 | -0.7 | 109 | F251 Q271 E272 F273 | F251-R269 HydrophobicContact CD1-CG 4.21Å; F251-R269 HydrophobicContact CE1-CG 3.88Å; R269-Q271 PolarHBondContact O-N 3.49Å; R269-Q271 VanDerWaalsContact O-N 3.14Å; R269-E272 HydrophobicContact CB-CB 4.3Å; R269-E272 PolarHBondContact N-OE2 2.73Å; R269-E272 WeakPolarHBondContact O-CB 3.48Å; R269-E272 PolarHBondContact O-N 3.23Å; R269-F273 PolarHBondContact O-N 2.84Å; R269-F273 VanDerWaalsContact O-N 3.14Å |
| 270 | F | 95.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | -177.1 | -175.7 | -106.8 | 0 | 0 | 0 | 112.6 | H191 T250 L252 E272 R274 L292 | H191-F270 AromaticContact CD2-CD2 3.48Å; H191-F270 VanDerWaalsContact CD2-CD2 3.48Å; H191-F270 WeakPolarHBondContact CD2-CD2 3.11Å; H191-F270 AromaticContact CD2-CG 3.74Å; H191-F270 AromaticContact NE2-CD2 3.89Å; H191-F270 AromaticContact NE2-CG 3.71Å; T250-F270 PolarHBondContact O-N 3.35Å; T250-F270 WeakPolarHBondContact OG1-CB 3.09Å; L252-F270 HydrophobicContact CD1-CD2 4.38Å; F270-E272 VanDerWaalsContact C-N 3.35Å; F270-E272 PolarHBondContact O-N 2.85Å; F270-R274 WeakPolarHBondContact O-CB 3.44Å; F270-R274 PolarHBondContact O-N 2.05Å; F270-L292 HydrophobicContact CE2-CD2 3.96Å; F270-L292 HydrophobicContact CZ-CD2 4.24Å |
| 271 | Q | 95.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.3 | -29.1 | 177.1 | -65.8 | -61.8 | -18 | 0 | 0 | 114.2 | R269 R274 R275 | R269-Q271 PolarHBondContact O-N 3.49Å; R269-Q271 VanDerWaalsContact O-N 3.14Å; Q271-R274 VanDerWaalsContact OE1-CZ 3.28Å; Q271-R275 WeakPolarHBondContact O-CG 3.27Å; Q271-R275 PolarHBondContact O-N 3.18Å; Q271-R275 PolarHBondContact O-NE 3.01Å |
| 272 | E | 95.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.1 | -50 | 175.7 | -179.4 | -179.2 | -168.9 | 0 | 0 | 110.2 | P268 R269 F270 R274 R275 A276 | P268-E272 HydrophobicContact CB-CB 4.48Å; R269-E272 HydrophobicContact CB-CB 4.3Å; R269-E272 PolarHBondContact N-OE2 2.73Å; R269-E272 WeakPolarHBondContact O-CB 3.48Å; R269-E272 PolarHBondContact O-N 3.23Å; F270-E272 VanDerWaalsContact C-N 3.35Å; F270-E272 PolarHBondContact O-N 2.85Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.44Å; E272-R275 PolarHBondContact O-N 2.04Å; E272-A276 PolarHBondContact O-N 3.05Å |
| 273 | F | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175 | -178 | -92.5 | 0 | 0 | 0 | 112 | L179 A183 L252 M254 P268 R269 R275 A276 Y277 V290 L292 | L179-F273 HydrophobicContact CB-CD2 4.11Å; L179-F273 HydrophobicContact CB-CE2 4.38Å; A183-F273 HydrophobicContact CB-CE2 3.8Å; A183-F273 HydrophobicContact CB-CZ 3.63Å; L252-F273 HydrophobicContact CD2-CB 4.2Å; L252-F273 HydrophobicContact CD2-CD1 3.55Å; L252-F273 HydrophobicContact CD2-CD2 3.73Å; L252-F273 HydrophobicContact CD2-CE1 3.8Å; L252-F273 HydrophobicContact CD2-CE2 3.97Å; L252-F273 HydrophobicContact CD2-CG 3.52Å; L252-F273 HydrophobicContact CD2-CZ 4Å; M254-F273 HydrophobicContact CE-CD2 4.21Å; M254-F273 HydrophobicContact CE-CE2 4.38Å; M254-F273 HydrophobicContact SD-CE2 4.31Å; P268-F273 HydrophobicContact CB-CB 4.44Å; P268-F273 HydrophobicContact CG-CB 3.94Å; P268-F273 HydrophobicContact CG-CD2 4.41Å; R269-F273 PolarHBondContact O-N 2.84Å; R269-F273 VanDerWaalsContact O-N 3.14Å; F273-R275 VanDerWaalsContact C-N 3.33Å; F273-R275 PolarHBondContact O-N 3.48Å; F273-A276 PolarHBondContact O-N 3.36Å; F273-Y277 HydrophobicContact CE1-CD2 4.28Å; F273-Y277 HydrophobicContact CE1-CG 4.2Å; F273-Y277 HydrophobicContact CZ-CD2 4.17Å; F273-Y277 HydrophobicContact CZ-CG 4.49Å; F273-Y277 WeakPolarHBondContact O-CB 3.42Å; F273-Y277 PolarHBondContact O-N 3.04Å; F273-V290 HydrophobicContact CE1-CG1 4.2Å; F273-V290 HydrophobicContact CZ-CG1 4.45Å; F273-V290 HydrophobicContact CZ-CG2 4.49Å; F273-L292 HydrophobicContact CD1-CD1 4.21Å; F273-L292 HydrophobicContact CD1-CD2 3.96Å; F273-L292 HydrophobicContact CE1-CD1 4.08Å; F273-L292 HydrophobicContact CE1-CD2 3.82Å; F273-L292 HydrophobicContact CE1-CG 4.39Å |
| 274 | R | 96 | Very high | 94.8 | Very high | 88 Ų | 88 | 61 Ų | 61 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 180 | -175.1 | 172.5 | 67.7 | 141 | 4.9 | 111.9 | F270 Q271 E272 Y277 E278 L292 | F270-R274 WeakPolarHBondContact O-CB 3.44Å; F270-R274 PolarHBondContact O-N 2.05Å; Q271-R274 VanDerWaalsContact OE1-CZ 3.28Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.44Å; R274-Y277 PolarHBondContact O-N 3.39Å; R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 VanDerWaalsContact CG-OE1 3.28Å; R274-E278 WeakPolarHBondContact CG-OE1 3.44Å; R274-E278 WeakPolarHBondContact O-CB 3.4Å; R274-E278 VanDerWaalsContact O-CG 3.29Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 3.41Å; R274-L292 HydrophobicContact CB-CD1 4.42Å; R274-L292 HydrophobicContact CG-CD1 4.24Å |
| 275 | R | 96.5 | Very high | 94.9 | Very high | 168 Ų | 168 | 65.8 Ų | 65.8 | 63% | 0.634 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 176.4 | -74.7 | -177 | -66.8 | 167.5 | 4.2 | 112 | Q271 E272 F273 Y277 A279 | Q271-R275 WeakPolarHBondContact O-CG 3.27Å; Q271-R275 PolarHBondContact O-N 3.18Å; Q271-R275 PolarHBondContact O-NE 3.01Å; E272-R275 PolarHBondContact O-N 2.04Å; F273-R275 VanDerWaalsContact C-N 3.33Å; F273-R275 PolarHBondContact O-N 3.48Å; R275-Y277 PolarHBondContact O-N 3.03Å; R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.25Å |
| 276 | A | 96 | Very high | 94.8 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | D176 E272 F273 A280 | D176-A276 HydrophobicContact CB-CB 4.12Å; E272-A276 PolarHBondContact O-N 3.05Å; F273-A276 PolarHBondContact O-N 3.36Å; A276-A280 WeakPolarHBondContact O-CB 3.44Å; A276-A280 PolarHBondContact O-N 3.02Å |
| 277 | Y | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 178.6 | -174.3 | -96.2 | 0 | 0 | 0 | 112.7 | L180 F273 R274 R275 A279 A280 R281 H286 C288 E289 V290 L292 | L180-Y277 HydrophobicContact CD2-CD2 3.84Å; L180-Y277 HydrophobicContact CD2-CG 4.42Å; F273-Y277 HydrophobicContact CE1-CD2 4.28Å; F273-Y277 HydrophobicContact CE1-CG 4.2Å; F273-Y277 HydrophobicContact CZ-CD2 4.17Å; F273-Y277 HydrophobicContact CZ-CG 4.49Å; F273-Y277 WeakPolarHBondContact O-CB 3.42Å; F273-Y277 PolarHBondContact O-N 3.04Å; R274-Y277 PolarHBondContact O-N 3.39Å; R275-Y277 PolarHBondContact O-N 3.03Å; Y277-A279 PolarHBondContact O-N 2.91Å; Y277-A280 PolarHBondContact O-N 2.94Å; Y277-R281 VanDerWaalsContact O-CB 3.27Å; Y277-R281 WeakPolarHBondContact O-CB 3.47Å; Y277-R281 PolarHBondContact O-N 2.98Å; Y277-H286 HydrophobicContact CE2-CB 4.34Å; Y277-C288 PolarHBondContact OH-O 2.95Å; Y277-E289 VanDerWaalsContact OH-CA 3.31Å; Y277-E289 WeakPolarHBondContact OH-CA 3.35Å; Y277-E289 PolarHBondContact OH-OE2 3.48Å; Y277-V290 HydrophobicContact CD2-CB 4.29Å; Y277-V290 HydrophobicContact CD2-CG2 4.21Å; Y277-V290 HydrophobicContact CE2-CB 3.74Å; Y277-V290 HydrophobicContact CE2-CG2 3.65Å; Y277-V290 PolarHBondContact OH-N 3.14Å; Y277-L292 HydrophobicContact CD1-CD1 3.63Å; Y277-L292 HydrophobicContact CD1-CG 4.49Å; Y277-L292 HydrophobicContact CE1-CD1 4.36Å; Y277-L292 HydrophobicContact CG-CD1 4.04Å |
| 278 | E | 95.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.5 | -74.5 | 170.5 | -177.8 | 0 | 0 | 111.9 | R274 R281 A282 | R274-E278 HydrophobicContact CG-CG 4.4Å; R274-E278 VanDerWaalsContact CG-OE1 3.28Å; R274-E278 WeakPolarHBondContact CG-OE1 3.44Å; R274-E278 WeakPolarHBondContact O-CB 3.4Å; R274-E278 VanDerWaalsContact O-CG 3.29Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 3.41Å; E278-R281 PolarHBondContact O-N 3.37Å; E278-A282 WeakPolarHBondContact O-CB 3.36Å; E278-A282 PolarHBondContact O-N 3.49Å |
| 279 | A | 96.2 | Very high | 94.5 | Very high | 63 Ų | 63 | 76.4 Ų | 76.4 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R275 Y277 R281 A282 A283 | R275-A279 WeakPolarHBondContact O-CB 3.43Å; R275-A279 PolarHBondContact O-N 3.25Å; Y277-A279 PolarHBondContact O-N 2.91Å; A279-R281 VanDerWaalsContact C-N 3.33Å; A279-R281 PolarHBondContact O-N 3.02Å; A279-A282 PolarHBondContact O-N 3.43Å; A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 2.83Å |
| 280 | A | 95.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 70.1 Ų | 70.1 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L180 A276 Y277 A283 H284 L285 H286 | L180-A280 HydrophobicContact CD1-CB 3.46Å; L180-A280 VanDerWaalsContact CD1-CB 3.46Å; L180-A280 HydrophobicContact CD2-CB 4.1Å; L180-A280 HydrophobicContact CG-CB 4.44Å; A276-A280 WeakPolarHBondContact O-CB 3.44Å; A276-A280 PolarHBondContact O-N 3.02Å; Y277-A280 PolarHBondContact O-N 2.94Å; A280-A283 PolarHBondContact O-N 3.4Å; A280-H284 PolarHBondContact O-N 3.24Å; A280-H284 VanDerWaalsContact O-N 3.08Å; A280-L285 PolarHBondContact O-N 3.29Å; A280-H286 HydrophobicContact CB-CB 4.21Å; A280-H286 PolarHBondContact O-N 2.97Å |
| 281 | R | 95 | Very high | 93.9 | Very high | 103 Ų | 103 | 72.5 Ų | 72.5 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 174.9 | -170.9 | 176.1 | 63.7 | -175.1 | -3 | 111.4 | Y277 E278 A279 A283 H284 | Y277-R281 VanDerWaalsContact O-CB 3.27Å; Y277-R281 WeakPolarHBondContact O-CB 3.47Å; Y277-R281 PolarHBondContact O-N 2.98Å; E278-R281 PolarHBondContact O-N 3.37Å; A279-R281 VanDerWaalsContact C-N 3.33Å; A279-R281 PolarHBondContact O-N 3.02Å; R281-A283 VanDerWaalsContact C-N 3.28Å; R281-A283 PolarHBondContact O-N 2.9Å; R281-H284 PolarHBondContact O-N 3.06Å |
| 282 | A | 95.6 | Very high | 93.4 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 65% | 0.653 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.3 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E278 A279 H284 | E278-A282 WeakPolarHBondContact O-CB 3.36Å; E278-A282 PolarHBondContact O-N 3.49Å; A279-A282 PolarHBondContact O-N 3.43Å; A282-H284 VanDerWaalsContact C-N 3.3Å; A282-H284 PolarHBondContact O-N 3.38Å; A282-H284 PolarHBondContact O-ND1 3.25Å |
| 283 | A | 95.7 | Very high | 92.2 | Very high | 57 Ų | 57 | 74.1 Ų | 74.1 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | A279 A280 R281 L285 | A279-A283 WeakPolarHBondContact O-CB 3.37Å; A279-A283 PolarHBondContact O-N 2.83Å; A280-A283 PolarHBondContact O-N 3.4Å; R281-A283 VanDerWaalsContact C-N 3.28Å; R281-A283 PolarHBondContact O-N 2.9Å; A283-L285 HydrophobicContact CB-CB 4.43Å; A283-L285 HydrophobicContact CB-CD1 4.01Å; A283-L285 HydrophobicContact CB-CG 4.04Å; A283-L285 PolarHBondContact O-N 3.38Å |
| 284 | H | 92.4 | Very high | 92 | Very high | 163 Ų | 163 | 77.9 Ų | 77.9 | 76% | 0.755 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.1 | -172.8 | -53.5 | 76.6 | 0 | 0 | 0 | 113.8 | A280 R281 A282 | A280-H284 PolarHBondContact O-N 3.24Å; A280-H284 VanDerWaalsContact O-N 3.08Å; R281-H284 PolarHBondContact O-N 3.06Å; A282-H284 VanDerWaalsContact C-N 3.3Å; A282-H284 PolarHBondContact O-N 3.38Å; A282-H284 PolarHBondContact O-ND1 3.25Å |
| 285 | L | 91.9 | Very high | 91.7 | Very high | 134 Ų | 134 | 77.3 Ų | 77.3 | 70% | 0.702 | 42% | 0.42 | S | S | * | . | trans | -112 | 10.9 | -179.6 | -63.2 | 177.7 | 0 | 0 | 0 | 113.2 | A280 A283 | A280-L285 PolarHBondContact O-N 3.29Å; A283-L285 HydrophobicContact CB-CB 4.43Å; A283-L285 HydrophobicContact CB-CD1 4.01Å; A283-L285 HydrophobicContact CB-CG 4.04Å; A283-L285 PolarHBondContact O-N 3.38Å | ||
| 286 | H | 88.8 | Confident | 91.5 | Very high | 52 Ų | 52 | 72.3 Ų | 72.3 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | trans | -77 | 131.7 | 179 | 63.6 | -74.1 | 0 | 0 | 0 | 110.6 | Y277 A280 C288 | Y277-H286 HydrophobicContact CE2-CB 4.34Å; A280-H286 HydrophobicContact CB-CB 4.21Å; A280-H286 PolarHBondContact O-N 2.97Å; H286-C288 PolarHBondContact CD2-O 3.14Å | ||
| 287 | P | 88.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 76.1 Ų | 76.1 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -78.4 | -18.1 | -173.8 | 25.5 | -29.5 | 0 | 0 | 0 | 114.5 | L180 | L180-P287 HydrophobicContact CB-CG 3.98Å; L180-P287 WeakPolarHBondContact O-CG 3.28Å |
| 288 | C | 93.2 | Very high | 90.9 | Very high | 41 Ų | 41 | 80.6 Ų | 80.6 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -162.2 | 164.2 | 172.4 | 72.9 | 0 | 0 | 0 | 0 | 111 | C184 Y277 H286 | C184-C288 WeakPolarHBondContact CA-SG 3.39Å; C184-C288 HydrophobicContact CB-CB 3.83Å; C184-C288 WeakPolarHBondContact CB-SG 3.35Å; C184-C288 WeakPolarHBondContact SG-CB 3.29Å; C184-C288 PolarHBondContact SG-N 3.47Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.27Å; Y277-C288 PolarHBondContact OH-O 2.95Å; H286-C288 PolarHBondContact CD2-O 3.14Å |
| 289 | E | 92.6 | Very high | 90.5 | Very high | 145 Ų | 145 | 81 Ų | 81 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | trans | -74.1 | 131.1 | 171.8 | -77.3 | -79.7 | -170.2 | 0 | 0 | 111.5 | Y277 | Y277-E289 VanDerWaalsContact OH-CA 3.31Å; Y277-E289 WeakPolarHBondContact OH-CA 3.35Å; Y277-E289 PolarHBondContact OH-OE2 3.48Å | ||
| 290 | V | 90.7 | Very high | 90.1 | Very high | 19 Ų | 19 | 82.3 Ų | 82.3 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | trans | -124.5 | 119.5 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | A183 L216 F273 Y277 L292 | A183-V290 HydrophobicContact CB-CG2 4.04Å; L216-V290 HydrophobicContact CD2-CG1 3.91Å; F273-V290 HydrophobicContact CE1-CG1 4.2Å; F273-V290 HydrophobicContact CZ-CG1 4.45Å; F273-V290 HydrophobicContact CZ-CG2 4.49Å; Y277-V290 HydrophobicContact CD2-CB 4.29Å; Y277-V290 HydrophobicContact CD2-CG2 4.21Å; Y277-V290 HydrophobicContact CE2-CB 3.74Å; Y277-V290 HydrophobicContact CE2-CG2 3.65Å; Y277-V290 PolarHBondContact OH-N 3.14Å; V290-L292 HydrophobicContact CG1-CD2 3.93Å; V290-L292 HydrophobicContact CG1-CG 4.19Å; V290-L292 PolarHBondContact O-N 2.73Å | ||
| 291 | A | 87.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 87.7 Ų | 87.7 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | trans | -74.8 | 89.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | R214 | R214-A291 PolarHBondContact NH2-O 2.94Š| ||
| 292 | L | 84.4 | Confident | 89.3 | Confident | 15 Ų | 15 | 86.4 Ų | 86.4 | 8% | 0.079 | 49% | 0.492 | C | S | . | . | trans | -84.4 | -11.9 | 179.2 | -67.7 | -177.9 | 0 | 0 | 0 | 114.4 | R214 L216 F270 F273 R274 Y277 V290 | R214-L292 PolarHBondContact NH2-O 3.3Å; L216-L292 HydrophobicContact CD2-CD2 4.09Å; F270-L292 HydrophobicContact CE2-CD2 3.96Å; F270-L292 HydrophobicContact CZ-CD2 4.24Å; F273-L292 HydrophobicContact CD1-CD1 4.21Å; F273-L292 HydrophobicContact CD1-CD2 3.96Å; F273-L292 HydrophobicContact CE1-CD1 4.08Å; F273-L292 HydrophobicContact CE1-CD2 3.82Å; F273-L292 HydrophobicContact CE1-CG 4.39Å; R274-L292 HydrophobicContact CB-CD1 4.42Å; R274-L292 HydrophobicContact CG-CD1 4.24Å; Y277-L292 HydrophobicContact CD1-CD1 3.63Å; Y277-L292 HydrophobicContact CD1-CG 4.49Å; Y277-L292 HydrophobicContact CE1-CD1 4.36Å; Y277-L292 HydrophobicContact CG-CD1 4.04Å; V290-L292 HydrophobicContact CG1-CD2 3.93Å; V290-L292 HydrophobicContact CG1-CG 4.19Å; V290-L292 PolarHBondContact O-N 2.73Å | ||
| 293 | H | 69.4 | Low | 88.7 | Confident | 191 Ų | 191 | 87.1 Ų | 87.1 | 88% | 0.884 | 48% | 0.477 | S | S | * | . | trans | -96.4 | 0 | 179.5 | -60.1 | -66.4 | 0 | 0 | 0 | 112.2 | R214 | R214-H293 PolarHBondContact NH1-O 3.5Å; R214-H293 PolarHBondContact NH1-OXT 3.13Å |
Retrieved 293 of 293 residues in 80.7 ms
(Link to these results)