| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48 | Very low | 47 | Very low | 249 Ų | 249 | 174.4 Ų | 174.4 | 100% | 1.227 | 88% | 0.878 | S | S | * | * | 0 | 123.7 | 0 | -63.8 | 169.7 | 81.8 | 0 | 0 | 107.7 | |||||
| 2 | R | 46.4 | Very low | 45.9 | Very low | 241 Ų | 241 | 166.1 Ų | 166.1 | 91% | 0.909 | 87% | 0.869 | S | S | * | * | trans | -92.8 | 148.5 | 176.1 | -69.5 | -163 | 170.9 | -112.6 | -0.6 | 109.9 | ||||
| 3 | R | 50.5 | Low | 45.6 | Very low | 244 Ų | 244 | 159.9 Ų | 159.9 | 92% | 0.921 | 87% | 0.87 | S | S | * | * | trans | 147 | 141.8 | 150.1 | -82.4 | 166.1 | -165.2 | -161.1 | 5.8 | 108.7 | ||||
| 4 | D | 45 | Very low | 45.2 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 78% | 0.781 | 86% | 0.864 | S | S | * | * | cis | -160.4 | 134.1 | -38.8 | -152.7 | -90.5 | 0 | 0 | 0 | 102.3 | G6 | D4-G6 PolarHBondContact O-N 3.49Å; D4-G6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | R | 54.9 | Low | 45.1 | Very low | 246 Ų | 246 | 150.1 Ų | 150.1 | 93% | 0.928 | 86% | 0.86 | S | S | * | * | trans | -77.5 | 100.3 | 177.9 | -80 | -178.2 | -179.1 | 144 | -0.8 | 107.3 | ||||
| 6 | G | 43.8 | Very low | 44.8 | Very low | 63 Ų | 63 | 151.4 Ų | 151.4 | 65% | 0.649 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D4 | D4-G6 PolarHBondContact O-N 3.49Å; D4-G6 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 45.8 | Very low | 44.7 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.5 | 178.8 | -17.1 | 29.3 | 0 | 0 | 0 | 112 | P9 | P7-P9 WeakPolarHBondContact O-CD 3.35Š|
| 8 | K | 55.2 | Low | 44.3 | Very low | 199 Ų | 199 | 150.5 Ų | 150.5 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 119 | 165.5 | -177.3 | 174.3 | -176.2 | 167.9 | 0 | 108.4 | A10 | K8-A10 PolarHBondContact O-N 2.97Š|
| 9 | P | 42.3 | Very low | 44.3 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 123.1 | 170.4 | 23.1 | -19.3 | 0 | 0 | 0 | 109.2 | P7 | P7-P9 WeakPolarHBondContact O-CD 3.35Š|
| 10 | A | 37.9 | Very low | 44.2 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 147.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K8 G12 | K8-A10 PolarHBondContact O-N 2.97Å; A10-G12 PolarHBondContact O-N 3.46Å |
| 11 | L | 47 | Very low | 43.8 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 98% | 0.979 | 83% | 0.831 | S | S | * | * | trans | -42.5 | 123.3 | 162.8 | -158.3 | 75.7 | 0 | 0 | 0 | 111.5 | ||||
| 12 | G | 33.8 | Very low | 43.4 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -168.6 | 105.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A10 | A10-G12 PolarHBondContact O-N 3.46Š| ||
| 13 | G | 42.3 | Very low | 43 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 153 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 14 | A | 39.9 | Very low | 42.6 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -145.6 | 121 | 146.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | E16 | A14-E16 PolarHBondContact O-N 2.89Å; A14-E16 VanDerWaalsContact O-N 3.17Å | ||
| 15 | G | 44.2 | Very low | 42.6 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -65.3 | 114.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | E | 39.8 | Very low | 42.4 | Very low | 170 Ų | 170 | 112.4 Ų | 112.4 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -104.4 | 88.3 | 148.3 | -64.2 | -165.4 | 127.4 | 0 | 0 | 105 | A14 E18 | A14-E16 PolarHBondContact O-N 2.89Å; A14-E16 VanDerWaalsContact O-N 3.17Å; E16-E18 PolarHBondContact O-N 3.32Å | ||
| 17 | V | 43.4 | Very low | 42.6 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 82.9 | 152.6 | -86 | 0 | 0 | 0 | 0 | 105.5 | P19 | V17-P19 WeakPolarHBondContact O-CD 3.44Š| ||
| 18 | E | 36.4 | Very low | 43.2 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -45.1 | 113.7 | 160.2 | -79.9 | -70.6 | 105.5 | 0 | 0 | 105.8 | E16 G20 | E16-E18 PolarHBondContact O-N 3.32Å; E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.21Å | ||
| 19 | P | 44.9 | Very low | 43.8 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -61.8 | 107.9 | 166.4 | -8.9 | 24.5 | 0 | 0 | 0 | 103.3 | V17 G21 | V17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-G21 PolarHBondContact O-N 2.86Å | ||
| 20 | G | 41.6 | Very low | 45.1 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -59.7 | 71.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | E18 M22 | E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.21Å; G20-M22 PolarHBondContact O-N 2.94Å; G20-M22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | G | 37.1 | Very low | 47.1 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -82.2 | 68.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | P19 A23 | P19-G21 PolarHBondContact O-N 2.86Å; G21-A23 PolarHBondContact O-N 3.09Å | ||
| 22 | M | 38.7 | Very low | 48.9 | Very low | 182 Ų | 182 | 108.3 Ų | 108.3 | 90% | 0.897 | 70% | 0.697 | S | S | * | * | trans | -64.4 | 76.2 | 147.2 | -71.1 | 162.8 | 171.4 | 0 | 0 | 104.9 | G20 A24 | G20-M22 PolarHBondContact O-N 2.94Å; G20-M22 VanDerWaalsContact O-N 3.16Å; M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 3Å | ||
| 23 | A | 37.8 | Very low | 51.4 | Low | 80 Ų | 80 | 104.7 Ų | 104.7 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | trans | -49.6 | 110.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 102.6 | G21 S25 | G21-A23 PolarHBondContact O-N 3.09Å; A23-S25 PolarHBondContact O-N 2.88Å | ||
| 24 | A | 44 | Very low | 53.5 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | trans | -61.5 | 84.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | M22 P26 L146 | M22-A24 VanDerWaalsContact C-N 3.26Å; M22-A24 PolarHBondContact O-N 3Å; A24-P26 WeakPolarHBondContact O-CD 3.47Å; A24-P26 VanDerWaalsContact O-N 3.12Å; A24-L146 HydrophobicContact CB-CD1 3.81Å | ||
| 25 | S | 44.3 | Very low | 55.6 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 56% | 0.559 | 62% | 0.617 | S | S | * | * | trans | -49.7 | 122.7 | 156.5 | -56.8 | 0 | 0 | 0 | 0 | 103.3 | A23 T27 | A23-S25 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-OG1 2.88Å | ||
| 26 | P | 49.5 | Very low | 57.5 | Low | 109 Ų | 109 | 103.3 Ų | 103.3 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | trans | -66.2 | 83.1 | 176.6 | 26.5 | -31.1 | 0 | 0 | 0 | 106.6 | A24 G28 | A24-P26 WeakPolarHBondContact O-CD 3.47Å; A24-P26 VanDerWaalsContact O-N 3.12Å; P26-G28 PolarHBondContact O-N 3.1Å | ||
| 27 | T | 48.8 | Very low | 59.6 | Low | 140 Ų | 140 | 95.3 Ų | 95.3 | 86% | 0.859 | 55% | 0.548 | S | S | * | . | trans | -78.5 | 1.9 | 179.7 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | S25 | S25-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-OG1 2.88Å | ||
| 28 | G | 59 | Low | 61.2 | Low | 51 Ų | 51 | 92.4 Ų | 92.4 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -82.7 | 141.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P26 | P26-G28 PolarHBondContact O-N 3.1Š|
| 29 | R | 67.4 | Low | 62.9 | Low | 239 Ų | 239 | 89.3 Ų | 89.3 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 128.3 | 171.1 | -68.6 | -177.4 | 176.7 | -166.9 | -1.5 | 109.2 | R31 | R29-R31 PolarHBondContact O-N 3.5Š|
| 30 | P | 69.3 | Low | 64.2 | Low | 46 Ų | 46 | 85 Ų | 85 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 131 | 178.4 | -27.9 | 35 | 0 | 0 | 0 | 111.3 | Q34 R35 | P30-Q34 HydrophobicContact CB-CB 4.07Å; P30-R35 HydrophobicContact CB-CG 3.72Å; P30-R35 WeakPolarHBondContact O-CD 3.27Å; P30-R35 WeakPolarHBondContact O-CG 3.3Å; P30-R35 PolarHBondContact O-NE 3.1Å |
| 31 | R | 80.6 | Confident | 65.7 | Low | 150 Ų | 150 | 87.2 Ų | 87.2 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | trans | -74.5 | 179 | 179.6 | -70.6 | -96.3 | -159.4 | 95.7 | 2.1 | 110.7 | R29 L33 Q34 R35 E52 | R29-R31 PolarHBondContact O-N 3.5Å; R31-L33 PolarHBondContact O-N 3.15Å; R31-Q34 VanDerWaalsContact N-OE1 3.12Å; R31-Q34 PolarHBondContact O-N 2.76Å; R31-R35 WeakPolarHBondContact O-CB 3.18Å; R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.24Å; R31-E52 WeakPolarHBondContact CB-OE1 3.5Å; R31-E52 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 32 | R | 84.2 | Confident | 67.4 | Low | 79 Ų | 79 | 85.9 Ų | 85.9 | 30% | 0.298 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | -164.1 | -163.3 | -174.5 | 175.9 | -172.4 | -0.9 | 111.3 | Y36 E52 E67 G95 L97 | R32-Y36 PolarHBondContact O-N 3.29Å; R32-Y36 VanDerWaalsContact O-N 3.11Å; R32-E52 PolarHBondContact N-OE1 3.28Å; R32-E52 PolarHBondContact N-OE2 2.74Å; R32-E67 IonicContact NH1-OE1 3.72Å; R32-G95 PolarHBondContact NH2-O 2.93Å; R32-L97 VanDerWaalsContact C-CD1 3.48Å; R32-L97 HydrophobicContact CB-CD1 3.95Å; R32-L97 HydrophobicContact CG-CD1 3.6Å; R32-L97 HydrophobicContact CG-CD2 4.46Å; R32-L97 HydrophobicContact CG-CG 3.86Å |
| 33 | L | 87 | Confident | 68.9 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -71.1 | -42.2 | 176.2 | -179.7 | 61.4 | 0 | 0 | 0 | 111.2 | R31 R35 Y36 L37 E52 T69 L86 A88 L97 | R31-L33 PolarHBondContact O-N 3.15Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.41Å; L33-Y36 HydrophobicContact CD1-CD1 4.42Å; L33-Y36 WeakPolarHBondContact O-CB 3.23Å; L33-Y36 PolarHBondContact O-N 2.6Å; L33-Y36 VanDerWaalsContact O-N 3.17Å; L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å; L33-E52 WeakPolarHBondContact CA-OE2 3.47Å; L33-E52 HydrophobicContact CB-CG 3.95Å; L33-E52 VanDerWaalsContact CB-OE2 3.28Å; L33-E52 WeakPolarHBondContact CB-OE2 3.49Å; L33-E52 PolarHBondContact N-OE1 2.82Å; L33-E52 PolarHBondContact N-OE2 2.82Å; L33-T69 HydrophobicContact CB-CG2 3.77Å; L33-T69 HydrophobicContact CD2-CG2 4.21Å; L33-L86 HydrophobicContact CD2-CB 4.3Å; L33-A88 HydrophobicContact CD1-CB 3.77Å; L33-L97 HydrophobicContact CB-CD1 4.1Å; L33-L97 HydrophobicContact CD1-CD1 4.43Å |
| 34 | Q | 86.1 | Confident | 70.4 | Confident | 45 Ų | 45 | 84 Ų | 84 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 176.1 | -67.3 | 174.5 | -20.8 | 0 | 0 | 112.3 | P30 R31 L37 Q38 I50 E52 | P30-Q34 HydrophobicContact CB-CB 4.07Å; R31-Q34 VanDerWaalsContact N-OE1 3.12Å; R31-Q34 PolarHBondContact O-N 2.76Å; Q34-L37 PolarHBondContact O-N 3.36Å; Q34-Q38 WeakPolarHBondContact O-CB 3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.46Å; Q34-Q38 PolarHBondContact O-N 3.17Å; Q34-I50 HydrophobicContact CG-CB 4.4Å; Q34-I50 PolarHBondContact NE2-O 2.83Å; Q34-E52 PolarHBondContact N-OE2 3.12Å |
| 35 | R | 84.6 | Confident | 71.8 | Confident | 148 Ų | 148 | 81.8 Ų | 81.8 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 173.6 | -75.3 | -173.2 | -70.6 | 156.3 | 0.3 | 112 | P30 R31 L33 L37 Q38 S39 | P30-R35 HydrophobicContact CB-CG 3.72Å; P30-R35 WeakPolarHBondContact O-CD 3.27Å; P30-R35 WeakPolarHBondContact O-CG 3.3Å; P30-R35 PolarHBondContact O-NE 3.1Å; R31-R35 WeakPolarHBondContact O-CB 3.18Å; R31-R35 WeakPolarHBondContact O-CG 3.33Å; R31-R35 PolarHBondContact O-N 3.24Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.41Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.46Å; R35-Q38 PolarHBondContact O-N 2.94Å; R35-S39 PolarHBondContact O-N 3.33Å; R35-S39 PolarHBondContact O-OG 3.46Å; R35-S39 VanDerWaalsContact O-OG 3.04Å |
| 36 | Y | 82.4 | Confident | 73.1 | Confident | 37 Ų | 37 | 83.7 Ų | 83.7 | 15% | 0.145 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 176.3 | 175 | -93.9 | 0 | 0 | 0 | 111.8 | R32 L33 Q38 S39 G40 F42 H96 L97 L99 | R32-Y36 PolarHBondContact O-N 3.29Å; R32-Y36 VanDerWaalsContact O-N 3.11Å; L33-Y36 HydrophobicContact CD1-CD1 4.42Å; L33-Y36 WeakPolarHBondContact O-CB 3.23Å; L33-Y36 PolarHBondContact O-N 2.6Å; L33-Y36 VanDerWaalsContact O-N 3.17Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Y36-S39 PolarHBondContact O-N 3.28Å; Y36-S39 PolarHBondContact O-OG 3.47Å; Y36-G40 PolarHBondContact O-N 3.5Å; Y36-F42 AromaticContact CE1-CD2 3.92Å; Y36-F42 HydrophobicContact CE1-CD2 3.92Å; Y36-F42 AromaticContact CE1-CE2 3.93Å; Y36-F42 HydrophobicContact CE1-CE2 3.93Å; Y36-H96 AromaticContact CD2-CE1 2.98Å; Y36-H96 WeakPolarHBondContact CD2-CE1 3.18Å; Y36-H96 AromaticContact CD2-ND1 3.35Å; Y36-H96 VanDerWaalsContact CD2-ND1 3.35Å; Y36-H96 WeakPolarHBondContact CD2-ND1 3.34Å; Y36-H96 AromaticContact CD2-NE2 3.66Å; Y36-H96 AromaticContact CE2-CE1 3.22Å; Y36-H96 WeakPolarHBondContact CE2-CE1 3.48Å; Y36-H96 AromaticContact CE2-ND1 3.34Å; Y36-H96 VanDerWaalsContact CE2-ND1 3.34Å; Y36-H96 WeakPolarHBondContact CE2-ND1 3.35Å; Y36-L97 HydrophobicContact CD2-CB 3.85Å; Y36-L97 VanDerWaalsContact CD2-O 3.25Å; Y36-L97 WeakPolarHBondContact CD2-O 3.35Å; Y36-L97 WeakPolarHBondContact CE2-O 3.15Å; Y36-L97 HydrophobicContact CG-CB 4.07Å; Y36-L99 HydrophobicContact CE1-CB 4.18Å |
| 37 | L | 84.5 | Confident | 74.2 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.9 | -31.7 | 179.4 | -59.6 | 170.4 | 0 | 0 | 0 | 112 | L33 Q34 R35 F42 F45 I50 L86 | L33-L37 HydrophobicContact CD1-CD1 4.31Å; L33-L37 HydrophobicContact CD1-CG 4.29Å; L33-L37 HydrophobicContact CG-CD1 4.09Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å; Q34-L37 PolarHBondContact O-N 3.36Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.46Å; L37-F42 HydrophobicContact CD2-CB 3.67Å; L37-F42 HydrophobicContact CD2-CD2 4.06Å; L37-F42 HydrophobicContact CD2-CG 4.03Å; L37-F45 HydrophobicContact CB-CB 4.42Å; L37-F45 HydrophobicContact CD1-CB 4.12Å; L37-F45 HydrophobicContact CD2-CD2 4.12Å; L37-I50 HydrophobicContact CD1-CD1 3.35Å; L37-L86 HydrophobicContact CD1-CD1 3.72Å; L37-L86 HydrophobicContact CD2-CD1 4.48Å |
| 38 | Q | 76.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71 | -31.9 | 174.3 | -74.4 | 169.9 | 3.6 | 0 | 0 | 113.7 | Q34 R35 Y36 R46 | Q34-Q38 WeakPolarHBondContact O-CB 3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.46Å; Q34-Q38 PolarHBondContact O-N 3.17Å; R35-Q38 PolarHBondContact O-N 2.94Å; Y36-Q38 VanDerWaalsContact C-N 3.33Å; Q38-R46 HydrophobicContact CG-CG 4.09Å; Q38-R46 PolarHBondContact O-NE 3.3Å; Q38-R46 PolarHBondContact O-NH2 2.78Å |
| 39 | S | 73.6 | Confident | 76.3 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -95.5 | -8.7 | -179.8 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | R35 Y36 | R35-S39 PolarHBondContact O-N 3.33Å; R35-S39 PolarHBondContact O-OG 3.46Å; R35-S39 VanDerWaalsContact O-OG 3.04Å; Y36-S39 PolarHBondContact O-N 3.28Å; Y36-S39 PolarHBondContact O-OG 3.47Å |
| 40 | G | 71.2 | Confident | 77 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -107.2 | -170.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y36 F42 | Y36-G40 PolarHBondContact O-N 3.5Å; G40-F42 PolarHBondContact O-N 2.85Å |
| 41 | E | 72.8 | Confident | 77.9 | Confident | 123 Ų | 123 | 75 Ų | 75 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.1 | -2.8 | 178.2 | -58.2 | -178.6 | 146.1 | 0 | 0 | 113.7 | D43 | E41-D43 VanDerWaalsContact C-N 3.33Å; E41-D43 PolarHBondContact O-N 2.78Å |
| 42 | F | 73.8 | Confident | 78.3 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | trans | -101.3 | 39.5 | -178 | -53.4 | -76.2 | 0 | 0 | 0 | 111.8 | Y36 L37 G40 Q44 F45 L99 C102 | Y36-F42 AromaticContact CE1-CD2 3.92Å; Y36-F42 HydrophobicContact CE1-CD2 3.92Å; Y36-F42 AromaticContact CE1-CE2 3.93Å; Y36-F42 HydrophobicContact CE1-CE2 3.93Å; L37-F42 HydrophobicContact CD2-CB 3.67Å; L37-F42 HydrophobicContact CD2-CD2 4.06Å; L37-F42 HydrophobicContact CD2-CG 4.03Å; G40-F42 PolarHBondContact O-N 2.85Å; F42-Q44 PolarHBondContact O-N 3.06Å; F42-Q44 VanDerWaalsContact O-N 3.14Å; F42-F45 HydrophobicContact CB-CD2 3.79Å; F42-F45 HydrophobicContact CB-CE2 4.19Å; F42-F45 HydrophobicContact CD1-CE2 4.24Å; F42-F45 PolarHBondContact O-N 3.33Å; F42-L99 HydrophobicContact CE1-CD2 4.1Å; F42-L99 HydrophobicContact CE2-CD2 4.22Å; F42-L99 HydrophobicContact CZ-CD2 3.9Å; F42-C102 HydrophobicContact CE1-CB 4.1Å; F42-C102 HydrophobicContact CZ-CB 3.58Å | ||
| 43 | D | 68.6 | Low | 78.7 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -58.6 | -24.3 | -178.1 | 64 | -10.3 | 0 | 0 | 0 | 113.7 | E41 F45 R46 | E41-D43 VanDerWaalsContact C-N 3.33Å; E41-D43 PolarHBondContact O-N 2.78Å; D43-F45 PolarHBondContact O-N 3.5Å; D43-R46 VanDerWaalsContact O-CB 3.22Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 WeakPolarHBondContact O-CD 3.28Å; D43-R46 WeakPolarHBondContact O-CG 3.13Å; D43-R46 PolarHBondContact O-N 3.47Å; D43-R46 VanDerWaalsContact O-N 3.07Å |
| 44 | Q | 70.8 | Confident | 78.9 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -48.9 | -43.3 | 168.9 | -66.5 | 172.2 | 62.2 | 0 | 0 | 111.1 | F42 R46 F48 | F42-Q44 PolarHBondContact O-N 3.06Å; F42-Q44 VanDerWaalsContact O-N 3.14Å; Q44-R46 PolarHBondContact O-N 2.91Å; Q44-F48 WeakPolarHBondContact O-CD2 3.24Å; Q44-F48 WeakPolarHBondContact O-CE2 3.37Å |
| 45 | F | 73 | Confident | 79.2 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 10% | 0.096 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -77.7 | 1.8 | -175.9 | -56.6 | -53.1 | 0 | 0 | 0 | 115.1 | L37 F42 D43 D47 F48 I50 L84 L86 | L37-F45 HydrophobicContact CB-CB 4.42Å; L37-F45 HydrophobicContact CD1-CB 4.12Å; L37-F45 HydrophobicContact CD2-CD2 4.12Å; F42-F45 HydrophobicContact CB-CD2 3.79Å; F42-F45 HydrophobicContact CB-CE2 4.19Å; F42-F45 HydrophobicContact CD1-CE2 4.24Å; F42-F45 PolarHBondContact O-N 3.33Å; D43-F45 PolarHBondContact O-N 3.5Å; F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.46Å; F45-F48 HydrophobicContact CD1-CD2 4.34Å; F45-F48 PolarHBondContact O-N 2.89Å; F45-I50 HydrophobicContact CB-CD1 4.03Å; F45-L84 HydrophobicContact CD1-CD1 4.13Å; F45-L84 HydrophobicContact CE1-CD1 3.27Å; F45-L84 HydrophobicContact CZ-CD1 3.89Å; F45-L86 HydrophobicContact CD2-CD1 4.43Å; F45-L86 HydrophobicContact CE2-CD2 4.33Å |
| 46 | R | 72.1 | Confident | 79.6 | Confident | 120 Ų | 120 | 72 Ų | 72 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -65 | -34.6 | -176.5 | -71.7 | 175.7 | -175.7 | -174.9 | 9.4 | 113.5 | Q38 D43 Q44 | Q38-R46 HydrophobicContact CG-CG 4.09Å; Q38-R46 PolarHBondContact O-NE 3.3Å; Q38-R46 PolarHBondContact O-NH2 2.78Å; D43-R46 VanDerWaalsContact O-CB 3.22Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 WeakPolarHBondContact O-CD 3.28Å; D43-R46 WeakPolarHBondContact O-CG 3.13Å; D43-R46 PolarHBondContact O-N 3.47Å; D43-R46 VanDerWaalsContact O-N 3.07Å; Q44-R46 PolarHBondContact O-N 2.91Å |
| 47 | D | 71.4 | Confident | 80 | Confident | 152 Ų | 152 | 76 Ų | 76 | 81% | 0.813 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -98.8 | -1.2 | -174.1 | -60 | -39.8 | 0 | 0 | 0 | 113 | F45 | F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.46Å |
| 48 | F | 75.5 | Confident | 80.5 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 21% | 0.211 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -93.7 | 140.4 | -178.3 | -65.4 | -86.2 | 0 | 0 | 0 | 111.6 | Q44 F45 I50 A74 S75 | Q44-F48 WeakPolarHBondContact O-CD2 3.24Å; Q44-F48 WeakPolarHBondContact O-CE2 3.37Å; F45-F48 HydrophobicContact CD1-CD2 4.34Å; F45-F48 PolarHBondContact O-N 2.89Å; F48-I50 PolarHBondContact O-N 2.75Å; F48-A74 WeakPolarHBondContact CD1-O 3.36Å; F48-A74 WeakPolarHBondContact CE1-O 3.45Å; F48-S75 VanDerWaalsContact CE1-O 3.3Å; F48-S75 WeakPolarHBondContact CE1-O 3.47Å; F48-S75 WeakPolarHBondContact CZ-O 3.28Å |
| 49 | P | 76.6 | Confident | 81.3 | Confident | 95 Ų | 95 | 79 Ų | 79 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | trans | -67.5 | 118.8 | 169.7 | 27.4 | -31.9 | 0 | 0 | 0 | 109.7 | ||||
| 50 | I | 83.3 | Confident | 82.4 | Confident | 15 Ų | 15 | 86.9 Ų | 86.9 | 8% | 0.077 | 43% | 0.433 | C | S | . | . | trans | -115.4 | 125.4 | 178.4 | -51 | 178.9 | 0 | 0 | 0 | 109.7 | Q34 L37 F45 F48 V72 A73 | Q34-I50 HydrophobicContact CG-CB 4.4Å; Q34-I50 PolarHBondContact NE2-O 2.83Å; L37-I50 HydrophobicContact CD1-CD1 3.35Å; F45-I50 HydrophobicContact CB-CD1 4.03Å; F48-I50 PolarHBondContact O-N 2.75Å; I50-V72 WeakPolarHBondContact CA-O 3.49Å; I50-A73 HydrophobicContact CG1-CB 4.03Å | ||
| 51 | F | 86.7 | Confident | 83.5 | Confident | 93 Ų | 93 | 92.6 Ų | 92.6 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.6 | 169.1 | -73 | -78.1 | 0 | 0 | 0 | 110.7 | G71 V72 W142 P144 | F51-G71 CarbonylContact O-C 3.57Å; F51-G71 VanDerWaalsContact O-CA 3.24Å; F51-G71 WeakPolarHBondContact O-CA 3.38Å; F51-V72 HydrophobicContact CB-CB 4.35Å; F51-V72 PolarHBondContact N-O 3.31Å; F51-V72 PolarHBondContact O-N 3.04Å; F51-W142 HydrophobicContact CE2-CZ2 4.19Å; F51-P144 HydrophobicContact CE1-CB 4.4Å; F51-P144 HydrophobicContact CE2-CB 4Å; F51-P144 HydrophobicContact CZ-CB 3.38Å; F51-P144 HydrophobicContact CZ-CG 4.45Å |
| 52 | E | 90.4 | Very high | 84.5 | Confident | 25 Ų | 25 | 89.6 Ų | 89.6 | 12% | 0.117 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129 | -179 | -173.2 | -179.1 | 140.4 | 0 | 0 | 111.3 | R31 R32 L33 Q34 T69 M70 | R31-E52 WeakPolarHBondContact CB-OE1 3.5Å; R31-E52 WeakPolarHBondContact CB-OE2 3.44Å; R32-E52 PolarHBondContact N-OE1 3.28Å; R32-E52 PolarHBondContact N-OE2 2.74Å; L33-E52 WeakPolarHBondContact CA-OE2 3.47Å; L33-E52 HydrophobicContact CB-CG 3.95Å; L33-E52 VanDerWaalsContact CB-OE2 3.28Å; L33-E52 WeakPolarHBondContact CB-OE2 3.49Å; L33-E52 PolarHBondContact N-OE1 2.82Å; L33-E52 PolarHBondContact N-OE2 2.82Å; Q34-E52 PolarHBondContact N-OE2 3.12Å; E52-T69 HydrophobicContact CG-CG2 3.4Å; E52-M70 WeakPolarHBondContact CA-O 3.31Å |
| 53 | S | 90.9 | Very high | 85.5 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.3 | 172.5 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | M70 | S53-M70 PolarHBondContact N-O 2.91Å; S53-M70 PolarHBondContact O-N 2.91Å |
| 54 | N | 91.9 | Very high | 86.5 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.5 | 175.4 | -63.4 | -43.3 | 0 | 0 | 0 | 110.2 | T69 | N54-T69 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T69 PolarHBondContact OD1-OG1 2.77Å |
| 55 | F | 92.4 | Very high | 87.3 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 45% | 0.447 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.1 | 176.4 | -68.7 | -87.2 | 0 | 0 | 0 | 109.2 | V68 M70 | F55-V68 PolarHBondContact N-O 3.25Å; F55-V68 PolarHBondContact O-N 3.2Å; F55-M70 HydrophobicContact CD2-CB 3.79Å; F55-M70 HydrophobicContact CD2-SD 4.41Å; F55-M70 HydrophobicContact CE2-CB 3.7Å; F55-M70 HydrophobicContact CE2-CE 3.56Å; F55-M70 HydrophobicContact CE2-CG 4.38Å; F55-M70 HydrophobicContact CE2-SD 3.85Å; F55-M70 HydrophobicContact CZ-CE 3.81Å; F55-M70 HydrophobicContact CZ-SD 4.41Å |
| 56 | V | 92.7 | Very high | 88 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.527 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.5 | 172.7 | -68 | 0 | 0 | 0 | 0 | 108.7 | V64 N66 E67 | V56-V64 HydrophobicContact CB-CG1 4.26Å; V56-V64 HydrophobicContact CG1-CG1 4.34Å; V56-N66 CarbonylContact C-O 3.58Å; V56-N66 WeakPolarHBondContact CA-O 3.42Å; V56-E67 HydrophobicContact CG1-CB 4.45Å; V56-E67 HydrophobicContact CG1-CG 4.18Å |
| 57 | Q | 91.6 | Very high | 88.9 | Confident | 121 Ų | 121 | 90 Ų | 90 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.9 | 168.1 | -176.2 | 178.1 | -21.5 | 0 | 0 | 108.2 | V64 A65 N66 | Q57-V64 CarbonylContact O-C 3.5Å; Q57-V64 WeakPolarHBondContact O-CA 3.31Å; Q57-A65 HydrophobicContact CB-CB 4.44Å; Q57-A65 HydrophobicContact CG-CB 4.27Å; Q57-A65 PolarHBondContact O-N 3.2Å; Q57-N66 HydrophobicContact CB-CB 4Å; Q57-N66 PolarHBondContact N-O 3.47Å |
| 58 | V | 94.9 | Very high | 89.8 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 56% | 0.558 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 140 | 176.6 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | E63 | V58-E63 CarbonylContact C-O 3.54Å; V58-E63 VanDerWaalsContact CA-O 3.23Å; V58-E63 WeakPolarHBondContact CA-O 3.39Å |
| 59 | T | 94.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 81.6 Ų | 81.6 | 30% | 0.301 | 44% | 0.44 | S | S | . | . | trans | -75.6 | 167.6 | 173.7 | 73.1 | 0 | 0 | 0 | 0 | 110.3 | L61 G62 E63 A65 | T59-L61 PolarHBondContact O-N 2.65Å; T59-L61 VanDerWaalsContact O-N 3.15Å; T59-L61 PolarHBondContact OG1-N 2.9Å; T59-G62 PolarHBondContact O-N 2.66Å; T59-E63 HydrophobicContact CG2-CB 4.22Å; T59-E63 PolarHBondContact N-O 3.04Å; T59-E63 WeakPolarHBondContact OG1-CB 3.45Å; T59-E63 PolarHBondContact OG1-N 2.93Å; T59-E63 VanDerWaalsContact OG1-N 3.17Å; T59-A65 HydrophobicContact CG2-CB 3.82Å | ||
| 60 | R | 95.2 | Very high | 91.3 | Very high | 251 Ų | 251 | 79.5 Ų | 79.5 | 95% | 0.947 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20.6 | 172.4 | -65.7 | 179.9 | 65.1 | -135.9 | -0.5 | 113.1 | G62 | R60-G62 VanDerWaalsContact C-N 3.29Š|
| 61 | L | 94.4 | Very high | 91.6 | Very high | 146 Ų | 146 | 78.8 Ų | 78.8 | 76% | 0.764 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.5 | 176.1 | -56.5 | 179.3 | 0 | 0 | 0 | 112.3 | T59 E63 | T59-L61 PolarHBondContact O-N 2.65Å; T59-L61 VanDerWaalsContact O-N 3.15Å; T59-L61 PolarHBondContact OG1-N 2.9Å; L61-E63 HydrophobicContact CB-CG 4.31Å |
| 62 | G | 93.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 76.1 Ų | 76.1 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 85.6 | 9.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T59 R60 | T59-G62 PolarHBondContact O-N 2.66Å; R60-G62 VanDerWaalsContact C-N 3.29Å |
| 63 | E | 94.3 | Very high | 91.7 | Very high | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -84.7 | 148.7 | 179.7 | -57.2 | 167.5 | 146.1 | 0 | 0 | 110.9 | V58 T59 L61 A65 | V58-E63 CarbonylContact C-O 3.54Å; V58-E63 VanDerWaalsContact CA-O 3.23Å; V58-E63 WeakPolarHBondContact CA-O 3.39Å; T59-E63 HydrophobicContact CG2-CB 4.22Å; T59-E63 PolarHBondContact N-O 3.04Å; T59-E63 WeakPolarHBondContact OG1-CB 3.45Å; T59-E63 PolarHBondContact OG1-N 2.93Å; T59-E63 VanDerWaalsContact OG1-N 3.17Å; L61-E63 HydrophobicContact CB-CG 4.31Å; E63-A65 PolarHBondContact O-N 3.29Å | ||
| 64 | V | 89.6 | Confident | 91.5 | Very high | 95 Ų | 95 | 73.2 Ų | 73.2 | 58% | 0.576 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116.3 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | V56 Q57 | V56-V64 HydrophobicContact CB-CG1 4.26Å; V56-V64 HydrophobicContact CG1-CG1 4.34Å; Q57-V64 CarbonylContact O-C 3.5Å; Q57-V64 WeakPolarHBondContact O-CA 3.31Å |
| 65 | A | 88.3 | Confident | 91 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -34.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q57 T59 E63 | Q57-A65 HydrophobicContact CB-CB 4.44Å; Q57-A65 HydrophobicContact CG-CB 4.27Å; Q57-A65 PolarHBondContact O-N 3.2Å; T59-A65 HydrophobicContact CG2-CB 3.82Å; E63-A65 PolarHBondContact O-N 3.29Å |
| 66 | N | 87.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 68.8 Ų | 68.8 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 148.5 | -176.9 | -168.3 | 26.4 | 0 | 0 | 0 | 110.7 | V56 Q57 V68 | V56-N66 CarbonylContact C-O 3.58Å; V56-N66 WeakPolarHBondContact CA-O 3.42Å; Q57-N66 HydrophobicContact CB-CB 4Å; Q57-N66 PolarHBondContact N-O 3.47Å; N66-V68 VanDerWaalsContact ND2-CG2 3.28Å; N66-V68 WeakPolarHBondContact ND2-CG2 3.23Å |
| 67 | E | 90.1 | Very high | 89.2 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.9 | 172.8 | -173.8 | -174.8 | 150.6 | 0 | 0 | 108.6 | R32 V56 P90 | R32-E67 IonicContact NH1-OE1 3.72Å; V56-E67 HydrophobicContact CG1-CB 4.45Å; V56-E67 HydrophobicContact CG1-CG 4.18Å; E67-P90 WeakPolarHBondContact O-CD 3.15Å |
| 68 | V | 90.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 13% | 0.127 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.6 | -179.1 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | F55 N66 L87 A88 F100 | F55-V68 PolarHBondContact N-O 3.25Å; F55-V68 PolarHBondContact O-N 3.2Å; N66-V68 VanDerWaalsContact ND2-CG2 3.28Å; N66-V68 WeakPolarHBondContact ND2-CG2 3.23Å; V68-L87 HydrophobicContact CG1-CB 4.23Å; V68-L87 HydrophobicContact CG1-CD2 3.92Å; V68-A88 CarbonylContact C-O 3.51Å; V68-A88 WeakPolarHBondContact CA-O 3.35Å; V68-F100 HydrophobicContact CB-CE2 4.47Å; V68-F100 HydrophobicContact CG1-CD2 4.47Å; V68-F100 HydrophobicContact CG1-CE2 3.96Å; V68-F100 HydrophobicContact CG2-CE2 3.85Å; V68-F100 HydrophobicContact CG2-CZ 4.24Å |
| 69 | T | 91.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.8 | 166.3 | -56.1 | 0 | 0 | 0 | 0 | 109 | L33 E52 N54 A88 | L33-T69 HydrophobicContact CB-CG2 3.77Å; L33-T69 HydrophobicContact CD2-CG2 4.21Å; E52-T69 HydrophobicContact CG-CG2 3.4Å; N54-T69 WeakPolarHBondContact OD1-CG2 3.11Å; N54-T69 PolarHBondContact OD1-OG1 2.77Å; T69-A88 PolarHBondContact N-O 2.98Å; T69-A88 PolarHBondContact O-N 3.37Å |
| 70 | M | 92.2 | Very high | 86.5 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.1 | 177.1 | -172.1 | 174.5 | 88 | 0 | 0 | 110.1 | E52 S53 F55 V72 L85 L86 L87 | E52-M70 WeakPolarHBondContact CA-O 3.31Å; S53-M70 PolarHBondContact N-O 2.91Å; S53-M70 PolarHBondContact O-N 2.91Å; F55-M70 HydrophobicContact CD2-CB 3.79Å; F55-M70 HydrophobicContact CD2-SD 4.41Å; F55-M70 HydrophobicContact CE2-CB 3.7Å; F55-M70 HydrophobicContact CE2-CE 3.56Å; F55-M70 HydrophobicContact CE2-CG 4.38Å; F55-M70 HydrophobicContact CE2-SD 3.85Å; F55-M70 HydrophobicContact CZ-CE 3.81Å; F55-M70 HydrophobicContact CZ-SD 4.41Å; M70-V72 HydrophobicContact CE-CG2 4.36Å; M70-L85 HydrophobicContact CE-CD1 4.33Å; M70-L85 HydrophobicContact CG-CD1 3.52Å; M70-L85 HydrophobicContact CG-CG 4.38Å; M70-L85 HydrophobicContact SD-CD1 3.73Å; M70-L86 CarbonylContact C-O 3.48Å; M70-L86 VanDerWaalsContact CA-O 3.31Å; M70-L86 WeakPolarHBondContact CA-O 3.46Å; M70-L87 HydrophobicContact CB-CD2 3.95Å; M70-L87 HydrophobicContact CG-CD2 3.71Å; M70-L87 HydrophobicContact SD-CD2 4.27Å |
| 71 | G | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F51 L85 L86 | F51-G71 CarbonylContact O-C 3.57Å; F51-G71 VanDerWaalsContact O-CA 3.24Å; F51-G71 WeakPolarHBondContact O-CA 3.38Å; G71-L85 CarbonylContact O-C 3.45Å; G71-L85 WeakPolarHBondContact O-CA 2.86Å; G71-L86 PolarHBondContact N-O 2.8Å; G71-L86 PolarHBondContact O-N 3.26Å |
| 72 | V | 90.8 | Very high | 85.5 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.5 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | I50 F51 M70 P82 L84 L85 | I50-V72 WeakPolarHBondContact CA-O 3.49Å; F51-V72 HydrophobicContact CB-CB 4.35Å; F51-V72 PolarHBondContact N-O 3.31Å; F51-V72 PolarHBondContact O-N 3.04Å; M70-V72 HydrophobicContact CE-CG2 4.36Å; V72-P82 HydrophobicContact CG1-CB 3.29Å; V72-P82 HydrophobicContact CG1-CG 3.47Å; V72-P82 VanDerWaalsContact CG1-CG 3.47Å; V72-L84 WeakPolarHBondContact CA-O 3.26Å; V72-L85 HydrophobicContact CG2-CD1 3.69Å |
| 73 | A | 87.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I50 P82 D83 L84 | I50-A73 HydrophobicContact CG1-CB 4.03Å; A73-P82 WeakPolarHBondContact O-CA 3.26Å; A73-P82 VanDerWaalsContact O-CB 3.26Å; A73-P82 WeakPolarHBondContact O-CB 3.45Å; A73-D83 PolarHBondContact O-N 3.34Å; A73-L84 HydrophobicContact CB-CB 4.3Å; A73-L84 PolarHBondContact N-O 2.99Å; A73-L84 WeakPolarHBondContact O-CB 3.33Å; A73-L84 PolarHBondContact O-N 2.85Å |
| 74 | A | 86.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | trans | -98 | 134.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F48 S76 L79 D83 | F48-A74 WeakPolarHBondContact CD1-O 3.36Å; F48-A74 WeakPolarHBondContact CE1-O 3.45Å; A74-S76 PolarHBondContact O-N 3.33Å; A74-L79 HydrophobicContact CB-CB 4.29Å; A74-D83 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 75 | S | 82.2 | Confident | 84.9 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -69.9 | -19.3 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | F48 L79 D83 | F48-S75 VanDerWaalsContact CE1-O 3.3Å; F48-S75 WeakPolarHBondContact CE1-O 3.47Å; F48-S75 WeakPolarHBondContact CZ-O 3.28Å; S75-L79 WeakPolarHBondContact OG-CD1 3.41Å; S75-D83 WeakPolarHBondContact CB-OD2 2.88Å; S75-D83 PolarHBondContact N-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD2 3.29Å |
| 76 | S | 76.8 | Confident | 85 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -142.4 | 139.2 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | A74 A78 L79 | A74-S76 PolarHBondContact O-N 3.33Å; S76-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact O-N 3.11Å; S76-A78 WeakPolarHBondContact OG-CB 3.48Å; S76-A78 PolarHBondContact OG-N 3.11Å; S76-L79 WeakPolarHBondContact O-CB 3.2Å; S76-L79 PolarHBondContact O-N 2.88Å |
| 77 | P | 69.5 | Low | 85.1 | Confident | 124 Ų | 124 | 50.9 Ų | 50.9 | 81% | 0.805 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.8 | 173.8 | 29.4 | -35.6 | 0 | 0 | 0 | 112.7 | L79 | P77-L79 VanDerWaalsContact C-N 3.29Š|
| 78 | A | 79.6 | Confident | 85.1 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 70% | 0.702 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S76 | S76-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact O-N 3.11Å; S76-A78 WeakPolarHBondContact OG-CB 3.48Å; S76-A78 PolarHBondContact OG-N 3.11Å |
| 79 | L | 73 | Confident | 85 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | trans | -84.9 | 126.5 | -179.3 | -65.4 | 173.5 | 0 | 0 | 0 | 111 | A74 S75 S76 P77 L81 D83 | A74-L79 HydrophobicContact CB-CB 4.29Å; S75-L79 WeakPolarHBondContact OG-CD1 3.41Å; S76-L79 WeakPolarHBondContact O-CB 3.2Å; S76-L79 PolarHBondContact O-N 2.88Å; P77-L79 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.77Å; L79-D83 HydrophobicContact CD1-CB 4.2Å; L79-D83 WeakPolarHBondContact CD1-OD1 3.29Å; L79-D83 WeakPolarHBondContact CD1-OD2 3.34Å | ||
| 80 | E | 73.2 | Confident | 84.7 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -79.5 | -0.5 | 175.4 | -59.3 | -175.9 | 138.9 | 0 | 0 | 112.6 | P139 K140 A141 W142 | E80-P139 VanDerWaalsContact OE2-C 3.26Å; E80-K140 VanDerWaalsContact OE1-C 3.28Å; E80-A141 PolarHBondContact OE1-N 3.48Å; E80-W142 WeakPolarHBondContact O-CB 3.3Å |
| 81 | L | 83.3 | Confident | 84.2 | Confident | 115 Ų | 115 | 47.8 Ų | 47.8 | 60% | 0.602 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -144 | 148.5 | 174.8 | -71.2 | 176 | 0 | 0 | 0 | 108.8 | L79 D83 W142 | L79-L81 PolarHBondContact O-N 2.77Å; L81-D83 PolarHBondContact O-N 2.82Å; L81-W142 HydrophobicContact CD2-CE3 3.88Å; L81-W142 HydrophobicContact CD2-CZ3 4.26Å |
| 82 | P | 85.4 | Confident | 83.3 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | trans | -65.5 | 134.3 | 172.3 | 28.3 | -33.4 | 0 | 0 | 0 | 110.4 | V72 A73 | V72-P82 HydrophobicContact CG1-CB 3.29Å; V72-P82 HydrophobicContact CG1-CG 3.47Å; V72-P82 VanDerWaalsContact CG1-CG 3.47Å; A73-P82 WeakPolarHBondContact O-CA 3.26Å; A73-P82 VanDerWaalsContact O-CB 3.26Å; A73-P82 WeakPolarHBondContact O-CB 3.45Å | ||
| 83 | D | 86.1 | Confident | 82.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | trans | -116.5 | -5.2 | 178.3 | 64 | -29.9 | 0 | 0 | 0 | 112.2 | A73 A74 S75 L79 L81 | A73-D83 PolarHBondContact O-N 3.34Å; A74-D83 WeakPolarHBondContact CA-OD1 3.39Å; S75-D83 WeakPolarHBondContact CB-OD2 2.88Å; S75-D83 PolarHBondContact N-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD1 3.39Å; S75-D83 PolarHBondContact OG-OD2 3.29Å; L79-D83 HydrophobicContact CD1-CB 4.2Å; L79-D83 WeakPolarHBondContact CD1-OD1 3.29Å; L79-D83 WeakPolarHBondContact CD1-OD2 3.34Å; L81-D83 PolarHBondContact O-N 2.82Å | ||
| 84 | L | 87.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.3 | 178.9 | -56.1 | 179.9 | 0 | 0 | 0 | 111.5 | F45 V72 A73 L129 | F45-L84 HydrophobicContact CD1-CD1 4.13Å; F45-L84 HydrophobicContact CE1-CD1 3.27Å; F45-L84 HydrophobicContact CZ-CD1 3.89Å; V72-L84 WeakPolarHBondContact CA-O 3.26Å; A73-L84 HydrophobicContact CB-CB 4.3Å; A73-L84 PolarHBondContact N-O 2.99Å; A73-L84 WeakPolarHBondContact O-CB 3.33Å; A73-L84 PolarHBondContact O-N 2.85Å; L84-L129 HydrophobicContact CD2-CD1 3.99Å; L84-L129 HydrophobicContact CD2-CD2 3.35Å; L84-L129 HydrophobicContact CD2-CG 4.32Å |
| 85 | L | 91.1 | Very high | 79.9 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116 | 168.8 | -173.5 | 68.9 | 0 | 0 | 0 | 109 | M70 G71 V72 | M70-L85 HydrophobicContact CE-CD1 4.33Å; M70-L85 HydrophobicContact CG-CD1 3.52Å; M70-L85 HydrophobicContact CG-CG 4.38Å; M70-L85 HydrophobicContact SD-CD1 3.73Å; G71-L85 CarbonylContact O-C 3.45Å; G71-L85 WeakPolarHBondContact O-CA 2.86Å; V72-L85 HydrophobicContact CG2-CD1 3.69Å |
| 86 | L | 89.4 | Confident | 79.6 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.4 | 177.9 | -62.4 | 172.8 | 0 | 0 | 0 | 108.7 | L33 L37 F45 M70 G71 L99 | L33-L86 HydrophobicContact CD2-CB 4.3Å; L37-L86 HydrophobicContact CD1-CD1 3.72Å; L37-L86 HydrophobicContact CD2-CD1 4.48Å; F45-L86 HydrophobicContact CD2-CD1 4.43Å; F45-L86 HydrophobicContact CE2-CD2 4.33Å; M70-L86 CarbonylContact C-O 3.48Å; M70-L86 VanDerWaalsContact CA-O 3.31Å; M70-L86 WeakPolarHBondContact CA-O 3.46Å; G71-L86 PolarHBondContact N-O 2.8Å; G71-L86 PolarHBondContact O-N 3.26Å; L86-L99 HydrophobicContact CB-CD1 3.91Å; L86-L99 HydrophobicContact CD2-CD1 4.07Å; L86-L99 HydrophobicContact CD2-CD2 4.04Å |
| 87 | L | 91.3 | Very high | 79.9 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.366 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126 | 173.6 | -65.3 | 171.3 | 0 | 0 | 0 | 108 | V68 M70 L99 F100 | V68-L87 HydrophobicContact CG1-CB 4.23Å; V68-L87 HydrophobicContact CG1-CD2 3.92Å; M70-L87 HydrophobicContact CB-CD2 3.95Å; M70-L87 HydrophobicContact CG-CD2 3.71Å; M70-L87 HydrophobicContact SD-CD2 4.27Å; L87-L99 CarbonylContact O-C 3.56Å; L87-L99 WeakPolarHBondContact O-CA 3.46Å; L87-L99 VanDerWaalsContact O-CD1 3.26Å; L87-L99 WeakPolarHBondContact O-CD1 3.34Å; L87-F100 HydrophobicContact CB-CB 4.34Å; L87-F100 HydrophobicContact CB-CD2 3.75Å; L87-F100 VanDerWaalsContact O-CD2 3.31Å; L87-F100 WeakPolarHBondContact O-CD2 3.39Å; L87-F100 PolarHBondContact O-N 2.64Å |
| 88 | A | 89.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L33 V68 T69 L97 Q98 L99 F100 | L33-A88 HydrophobicContact CD1-CB 3.77Å; V68-A88 CarbonylContact C-O 3.51Å; V68-A88 WeakPolarHBondContact CA-O 3.35Å; T69-A88 PolarHBondContact N-O 2.98Å; T69-A88 PolarHBondContact O-N 3.37Å; A88-L97 HydrophobicContact CB-CB 4.16Å; A88-L97 HydrophobicContact CB-CD1 4.34Å; A88-L97 HydrophobicContact CB-CD2 4.43Å; A88-Q98 CarbonylContact C-O 3.51Å; A88-Q98 WeakPolarHBondContact CA-O 3.25Å; A88-L99 HydrophobicContact CB-CD1 4.27Å; A88-F100 VanDerWaalsContact C-CE2 3.45Å |
| 89 | G | 89.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 171.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A91 L97 Q98 | G89-A91 PolarHBondContact O-N 3.46Å; G89-L97 CarbonylContact O-C 3.59Å; G89-L97 WeakPolarHBondContact O-CA 3.17Å; G89-Q98 PolarHBondContact N-O 3.4Å; G89-Q98 PolarHBondContact O-N 2.79Å |
| 90 | P | 83.8 | Confident | 81.3 | Confident | 66 Ų | 66 | 67 Ų | 67 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 128 | 168.8 | 26.9 | -32.6 | 0 | 0 | 0 | 110.4 | E67 | E67-P90 WeakPolarHBondContact O-CD 3.15Å |
| 91 | A | 80.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | trans | -72.2 | 144.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G89 E93 H96 Q98 | G89-A91 PolarHBondContact O-N 3.46Å; A91-E93 PolarHBondContact O-N 2.85Å; A91-H96 HydrophobicContact CB-CB 4.42Å; A91-H96 VanDerWaalsContact CB-O 3.23Å; A91-H96 WeakPolarHBondContact CB-O 2.98Å; A91-H96 PolarHBondContact N-O 3.09Å; A91-Q98 HydrophobicContact CB-CB 4.11Å | ||
| 92 | K | 72 | Confident | 79.8 | Confident | 219 Ų | 219 | 62.2 Ų | 62.2 | 95% | 0.952 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.4 | -176.8 | -68.4 | -176.1 | 176.9 | 180 | 0 | 114.4 | ||
| 93 | E | 65.7 | Low | 77.9 | Confident | 176 Ų | 176 | 62.8 Ų | 62.8 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -31 | -163 | 178.1 | 177.8 | 149.4 | 0 | 0 | 114.4 | A91 | A91-E93 PolarHBondContact O-N 2.85Š|
| 94 | N | 62.3 | Low | 75.8 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.1 | 12.3 | -162.5 | 53.3 | 11.8 | 0 | 0 | 0 | 114.6 | H96 | N94-H96 PolarHBondContact O-N 2.84Å; N94-H96 WeakPolarHBondContact OD1-CB 3.22Å; N94-H96 PolarHBondContact OD1-N 3.3Å |
| 95 | G | 66.6 | Low | 73.7 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 64.4 | 6.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R32 | R32-G95 PolarHBondContact NH2-O 2.93Š|
| 96 | H | 76.4 | Confident | 71 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | trans | -72.5 | 166.8 | 173.8 | -161.5 | -121.4 | 0 | 0 | 0 | 110.3 | Y36 A91 N94 | Y36-H96 AromaticContact CD2-CE1 2.98Å; Y36-H96 WeakPolarHBondContact CD2-CE1 3.18Å; Y36-H96 AromaticContact CD2-ND1 3.35Å; Y36-H96 VanDerWaalsContact CD2-ND1 3.35Å; Y36-H96 WeakPolarHBondContact CD2-ND1 3.34Å; Y36-H96 AromaticContact CD2-NE2 3.66Å; Y36-H96 AromaticContact CE2-CE1 3.22Å; Y36-H96 WeakPolarHBondContact CE2-CE1 3.48Å; Y36-H96 AromaticContact CE2-ND1 3.34Å; Y36-H96 VanDerWaalsContact CE2-ND1 3.34Å; Y36-H96 WeakPolarHBondContact CE2-ND1 3.35Å; A91-H96 HydrophobicContact CB-CB 4.42Å; A91-H96 VanDerWaalsContact CB-O 3.23Å; A91-H96 WeakPolarHBondContact CB-O 2.98Å; A91-H96 PolarHBondContact N-O 3.09Å; N94-H96 PolarHBondContact O-N 2.84Å; N94-H96 WeakPolarHBondContact OD1-CB 3.22Å; N94-H96 PolarHBondContact OD1-N 3.3Å | ||
| 97 | L | 81.9 | Confident | 68.4 | Low | 5 Ų | 5 | 82.6 Ų | 82.6 | 3% | 0.026 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 151.6 | 168.7 | -71.4 | 179 | 0 | 0 | 0 | 109.7 | R32 L33 Y36 A88 G89 | R32-L97 VanDerWaalsContact C-CD1 3.48Å; R32-L97 HydrophobicContact CB-CD1 3.95Å; R32-L97 HydrophobicContact CG-CD1 3.6Å; R32-L97 HydrophobicContact CG-CD2 4.46Å; R32-L97 HydrophobicContact CG-CG 3.86Å; L33-L97 HydrophobicContact CB-CD1 4.1Å; L33-L97 HydrophobicContact CD1-CD1 4.43Å; Y36-L97 HydrophobicContact CD2-CB 3.85Å; Y36-L97 VanDerWaalsContact CD2-O 3.25Å; Y36-L97 WeakPolarHBondContact CD2-O 3.35Å; Y36-L97 WeakPolarHBondContact CE2-O 3.15Å; Y36-L97 HydrophobicContact CG-CB 4.07Å; A88-L97 HydrophobicContact CB-CB 4.16Å; A88-L97 HydrophobicContact CB-CD1 4.34Å; A88-L97 HydrophobicContact CB-CD2 4.43Å; G89-L97 CarbonylContact O-C 3.59Å; G89-L97 WeakPolarHBondContact O-CA 3.17Å |
| 98 | Q | 85.3 | Confident | 65.9 | Low | 100 Ų | 100 | 84.3 Ų | 84.3 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.1 | 168.7 | 174.3 | 171.7 | 79 | 0 | 0 | 108.2 | A88 G89 A91 F100 | A88-Q98 CarbonylContact C-O 3.51Å; A88-Q98 WeakPolarHBondContact CA-O 3.25Å; G89-Q98 PolarHBondContact N-O 3.4Å; G89-Q98 PolarHBondContact O-N 2.79Å; A91-Q98 HydrophobicContact CB-CB 4.11Å; Q98-F100 PolarHBondContact O-N 3.16Å |
| 99 | L | 85.7 | Confident | 63.2 | Low | 6 Ų | 6 | 93.4 Ų | 93.4 | 3% | 0.031 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.9 | 176 | -162.9 | 72.3 | 0 | 0 | 0 | 109.6 | Y36 F42 L86 L87 A88 C102 | Y36-L99 HydrophobicContact CE1-CB 4.18Å; F42-L99 HydrophobicContact CE1-CD2 4.1Å; F42-L99 HydrophobicContact CE2-CD2 4.22Å; F42-L99 HydrophobicContact CZ-CD2 3.9Å; L86-L99 HydrophobicContact CB-CD1 3.91Å; L86-L99 HydrophobicContact CD2-CD1 4.07Å; L86-L99 HydrophobicContact CD2-CD2 4.04Å; L87-L99 CarbonylContact O-C 3.56Å; L87-L99 WeakPolarHBondContact O-CA 3.46Å; L87-L99 VanDerWaalsContact O-CD1 3.26Å; L87-L99 WeakPolarHBondContact O-CD1 3.34Å; A88-L99 HydrophobicContact CB-CD1 4.27Å; L99-C102 HydrophobicContact CD2-CB 4.21Å |
| 100 | F | 80.5 | Confident | 60.9 | Low | 98 Ų | 98 | 99.8 Ų | 99.8 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | 134 | 173.6 | -63.5 | -73 | 0 | 0 | 0 | 109.4 | V68 L87 A88 Q98 | V68-F100 HydrophobicContact CB-CE2 4.47Å; V68-F100 HydrophobicContact CG1-CD2 4.47Å; V68-F100 HydrophobicContact CG1-CE2 3.96Å; V68-F100 HydrophobicContact CG2-CE2 3.85Å; V68-F100 HydrophobicContact CG2-CZ 4.24Å; L87-F100 HydrophobicContact CB-CB 4.34Å; L87-F100 HydrophobicContact CB-CD2 3.75Å; L87-F100 VanDerWaalsContact O-CD2 3.31Å; L87-F100 WeakPolarHBondContact O-CD2 3.39Å; L87-F100 PolarHBondContact O-N 2.64Å; A88-F100 VanDerWaalsContact C-CE2 3.45Å; Q98-F100 PolarHBondContact O-N 3.16Å |
| 101 | G | 69.3 | Low | 58.6 | Low | 60 Ų | 60 | 106 Ų | 106 | 62% | 0.619 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.1 | -8.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 102 | C | 55.5 | Low | 56.5 | Low | 32 Ų | 32 | 110.3 Ų | 110.3 | 22% | 0.216 | 61% | 0.606 | C | S | . | * | trans | -107.4 | 102.1 | 167.3 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | F42 L99 | F42-C102 HydrophobicContact CE1-CB 4.1Å; F42-C102 HydrophobicContact CZ-CB 3.58Å; L99-C102 HydrophobicContact CD2-CB 4.21Å | ||
| 103 | G | 45.1 | Very low | 54.8 | Low | 60 Ų | 60 | 105 Ų | 105 | 62% | 0.619 | 60% | 0.597 | S | S | * | * | trans | -67.4 | 152 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | H105 | G103-H105 PolarHBondContact O-N 2.76Š| ||
| 104 | P | 42.4 | Very low | 53.5 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | trans | -59.8 | 122 | 173.7 | 24.9 | -31.5 | 0 | 0 | 0 | 109.2 | S106 | P104-S106 PolarHBondContact O-N 3.4Å; P104-S106 VanDerWaalsContact O-N 3.14Å | ||
| 105 | H | 43 | Very low | 52.5 | Low | 133 Ų | 133 | 102.2 Ų | 102.2 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | trans | -77.9 | 98.1 | 171.3 | -164.2 | 71.9 | 0 | 0 | 0 | 107.4 | G103 R107 | G103-H105 PolarHBondContact O-N 2.76Å; H105-R107 PolarHBondContact O-N 2.95Å | ||
| 106 | S | 35.1 | Very low | 50.7 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | trans | -58.5 | 109.7 | 164.4 | 51.3 | 0 | 0 | 0 | 0 | 108 | P104 P108 | P104-S106 PolarHBondContact O-N 3.4Å; P104-S106 VanDerWaalsContact O-N 3.14Å; S106-P108 WeakPolarHBondContact O-CD 3.2Å | ||
| 107 | R | 35.2 | Very low | 49.3 | Very low | 230 Ų | 230 | 106.3 Ų | 106.3 | 87% | 0.868 | 65% | 0.649 | S | S | * | * | trans | -43 | 119.3 | 172 | -86.8 | -179.6 | 165.8 | -177 | -4.7 | 110.2 | H105 | H105-R107 PolarHBondContact O-N 2.95Š| ||
| 108 | P | 37 | Very low | 46.8 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | trans | -71.5 | 132.3 | 160.9 | 27.8 | -28.6 | 0 | 0 | 0 | 108.6 | S106 | S106-P108 WeakPolarHBondContact O-CD 3.2Š| ||
| 109 | E | 34.8 | Very low | 44.7 | Very low | 191 Ų | 191 | 109.7 Ų | 109.7 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | trans | -61.4 | 144.4 | 179.5 | -64 | -162.7 | 106.6 | 0 | 0 | 111.9 | E111 | E109-E111 PolarHBondContact O-N 3.22Š| ||
| 110 | T | 40.5 | Very low | 42.1 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -43.1 | 120.3 | 174 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 111 | E | 35.1 | Very low | 40.3 | Very low | 196 Ų | 196 | 116 Ų | 116 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | trans | -140.6 | 142.3 | 143.6 | -70.7 | -159.7 | 111.7 | 0 | 0 | 111.6 | E109 | E109-E111 PolarHBondContact O-N 3.22Š| ||
| 112 | S | 36.9 | Very low | 38.5 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -79.3 | 162.3 | -162.7 | -179.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 113 | S | 36.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 100.5 | 108.3 | 144.5 | 73 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 114 | A | 38.2 | Very low | 36.9 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 61.1 | 125 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 115 | S | 41.1 | Very low | 36.7 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 89.9 | 133.7 | 146.7 | 91.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 116 | G | 29.2 | Very low | 36.5 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 114.3 | 95.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G118 | G116-G118 PolarHBondContact O-N 3.24Š| ||
| 117 | C | 47.5 | Very low | 36.7 | Very low | 144 Ų | 144 | 119.4 Ų | 119.4 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | trans | -53.4 | 107.9 | 157.4 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 118 | G | 28.8 | Very low | 36.8 | Very low | 54 Ų | 54 | 117.1 Ų | 117.1 | 56% | 0.557 | 77% | 0.771 | S | S | * | * | trans | -137.4 | 103.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | G116 S120 | G116-G118 PolarHBondContact O-N 3.24Å; G118-S120 PolarHBondContact O-N 3.03Å | ||
| 119 | C | 41.2 | Very low | 37 | Very low | 123 Ų | 123 | 115 Ų | 115 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -59.4 | 82.7 | 164.9 | 35.3 | 0 | 0 | 0 | 0 | 108.8 | T121 | C119-T121 PolarHBondContact O-N 2.77Š| ||
| 120 | S | 32.3 | Very low | 37 | Very low | 101 Ų | 101 | 114 Ų | 114 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -75.2 | 97.5 | 173.9 | -72.8 | 0 | 0 | 0 | 0 | 108.4 | G118 A122 | G118-S120 PolarHBondContact O-N 3.03Å; S120-A122 PolarHBondContact O-N 3.41Å | ||
| 121 | T | 41.6 | Very low | 36.6 | Very low | 136 Ų | 136 | 111.9 Ų | 111.9 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -61.3 | 48.9 | 161.4 | 37.8 | 0 | 0 | 0 | 0 | 112 | C119 | C119-T121 PolarHBondContact O-N 2.77Š| ||
| 122 | A | 32 | Very low | 36.6 | Very low | 89 Ų | 89 | 108.5 Ų | 108.5 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | -119.3 | 17.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S120 | S120-A122 PolarHBondContact O-N 3.41Š| ||
| 123 | C | 34.2 | Very low | 36.8 | Very low | 130 Ų | 130 | 108.6 Ų | 108.6 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -106.6 | 10.4 | 169.4 | -148.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 124 | A | 33.4 | Very low | 36.9 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -100.4 | 5.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 125 | S | 38.2 | Very low | 37.5 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -127.1 | 67 | -169.1 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 126 | S | 37.1 | Very low | 37.4 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -167.8 | -8 | 152.2 | -87.9 | 0 | 0 | 0 | 0 | 113.9 | L128 | S126-L128 PolarHBondContact O-N 3.39Š|
| 127 | L | 39.7 | Very low | 38.2 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 49% | 0.487 | 75% | 0.748 | S | S | . | * | trans | -83.7 | 97 | 162.8 | -67.4 | 162.8 | 0 | 0 | 0 | 107.7 | L129 | L127-L129 HydrophobicContact CB-CD1 4.31Å; L127-L129 HydrophobicContact CB-CD2 3.89Å; L127-L129 HydrophobicContact CB-CG 3.71Å; L127-L129 HydrophobicContact CD2-CD2 4.35Å; L127-L129 PolarHBondContact O-N 2.94Å | ||
| 128 | L | 37.1 | Very low | 38.4 | Very low | 182 Ų | 182 | 125 Ų | 125 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | trans | -68.3 | 73.1 | 157 | -74.8 | 174.7 | 0 | 0 | 0 | 107.8 | S126 L130 | S126-L128 PolarHBondContact O-N 3.39Å; L128-L130 PolarHBondContact O-N 3.37Å | ||
| 129 | L | 42.3 | Very low | 39.4 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 33% | 0.325 | 74% | 0.738 | S | S | . | * | trans | -67.3 | 107.9 | 162.9 | -57.4 | 179.8 | 0 | 0 | 0 | 105.7 | L84 L127 C131 | L84-L129 HydrophobicContact CD2-CD1 3.99Å; L84-L129 HydrophobicContact CD2-CD2 3.35Å; L84-L129 HydrophobicContact CD2-CG 4.32Å; L127-L129 HydrophobicContact CB-CD1 4.31Å; L127-L129 HydrophobicContact CB-CD2 3.89Å; L127-L129 HydrophobicContact CB-CG 3.71Å; L127-L129 HydrophobicContact CD2-CD2 4.35Å; L127-L129 PolarHBondContact O-N 2.94Å; L129-C131 PolarHBondContact O-N 3.19Å | ||
| 130 | L | 34.3 | Very low | 39.7 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | trans | -71.8 | 75.3 | 165.9 | -164.1 | 72.9 | 0 | 0 | 0 | 107.6 | L128 P132 | L128-L130 PolarHBondContact O-N 3.37Å; L130-P132 WeakPolarHBondContact O-CD 2.94Å | ||
| 131 | C | 32.7 | Very low | 40.5 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -64.5 | 114.9 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 109.5 | L129 S133 | L129-C131 PolarHBondContact O-N 3.19Å; C131-S133 PolarHBondContact O-N 3Å | ||
| 132 | P | 34 | Very low | 40.8 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -74.3 | 99.8 | 166.8 | -4.9 | 23.9 | 0 | 0 | 0 | 107.1 | L130 R134 | L130-P132 WeakPolarHBondContact O-CD 2.94Å; P132-R134 PolarHBondContact O-N 3.43Å | ||
| 133 | S | 40.8 | Very low | 41.8 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -61.2 | 105 | 171.1 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | C131 | C131-S133 PolarHBondContact O-N 3Š| ||
| 134 | R | 40.2 | Very low | 42.5 | Very low | 227 Ų | 227 | 128.2 Ų | 128.2 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | trans | -162.5 | 113.3 | 150.1 | -124 | 173.8 | -75.7 | -97.7 | 1.6 | 114.5 | P132 S136 | P132-R134 PolarHBondContact O-N 3.43Å; R134-S136 PolarHBondContact O-N 3.17Å | ||
| 135 | R | 50.5 | Low | 43.5 | Very low | 250 Ų | 250 | 129.7 Ų | 129.7 | 94% | 0.943 | 69% | 0.686 | S | S | * | * | trans | -42.3 | 117.6 | 154.6 | -177.7 | -174.1 | -65 | -103.3 | 0.6 | 110.9 | ||||
| 136 | S | 37.8 | Very low | 43.9 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | trans | -150.7 | 145.7 | 157.9 | 84.2 | 0 | 0 | 0 | 0 | 110.7 | R134 | R134-S136 PolarHBondContact O-N 3.17Š| ||
| 137 | K | 45.6 | Very low | 44.6 | Very low | 198 Ų | 198 | 130.1 Ų | 130.1 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | trans | -61.1 | 135.1 | -172.6 | -65.5 | 169.1 | 177.3 | 176.8 | 0 | 110.2 | ||||
| 138 | S | 52.9 | Low | 44.7 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -2.5 | 113.8 | 171 | 57.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 139 | P | 49 | Very low | 45.3 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | trans | -132.8 | 107.2 | 157.2 | 33.7 | -15.2 | 0 | 0 | 0 | 113.4 | E80 | E80-P139 VanDerWaalsContact OE2-C 3.26Š| ||
| 140 | K | 47.4 | Very low | 45.2 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | trans | 27.5 | 111.8 | 155.4 | -64.4 | -176.9 | -179.9 | 178.4 | 0 | 117.5 | E80 W142 | E80-K140 VanDerWaalsContact OE1-C 3.28Å; K140-W142 PolarHBondContact O-N 3.37Å | ||
| 141 | A | 50.1 | Low | 45.7 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 53% | 0.529 | 70% | 0.704 | S | S | . | * | trans | -6.6 | 108.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E80 K143 | E80-A141 PolarHBondContact OE1-N 3.48Å; A141-K143 PolarHBondContact O-N 2.78Å; A141-K143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | W | 47.9 | Very low | 45.9 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 51% | 0.508 | 71% | 0.708 | S | S | . | * | trans | -63 | 110.9 | 172.2 | 166.5 | -90.3 | 0 | 0 | 0 | 110.8 | F51 E80 L81 K140 | F51-W142 HydrophobicContact CE2-CZ2 4.19Å; E80-W142 WeakPolarHBondContact O-CB 3.3Å; L81-W142 HydrophobicContact CD2-CE3 3.88Å; L81-W142 HydrophobicContact CD2-CZ3 4.26Å; K140-W142 PolarHBondContact O-N 3.37Å | ||
| 143 | K | 52.5 | Low | 46.6 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | trans | -107 | 111.4 | 170.8 | -71 | 179 | 175.3 | -175.2 | 0 | 106.5 | A141 D145 | A141-K143 PolarHBondContact O-N 2.78Å; A141-K143 VanDerWaalsContact O-N 3.09Å; K143-D145 PolarHBondContact O-N 3.34Å | ||
| 144 | P | 49.4 | Very low | 47.1 | Very low | 42 Ų | 42 | 133.7 Ų | 133.7 | 27% | 0.273 | 69% | 0.691 | S | S | . | * | trans | -61.8 | 130.7 | 172.3 | 28.1 | -34.7 | 0 | 0 | 0 | 108.9 | F51 L146 | F51-P144 HydrophobicContact CE1-CB 4.4Å; F51-P144 HydrophobicContact CE2-CB 4Å; F51-P144 HydrophobicContact CZ-CB 3.38Å; F51-P144 HydrophobicContact CZ-CG 4.45Å; P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 HydrophobicContact CB-CD2 4.05Å; P144-L146 HydrophobicContact CB-CG 4.27Å; P144-L146 HydrophobicContact CG-CD1 4.4Å; P144-L146 HydrophobicContact CG-CD2 4.14Å; P144-L146 HydrophobicContact CG-CG 4.08Å; P144-L146 PolarHBondContact O-N 2.94Å | ||
| 145 | D | 54.3 | Low | 47.2 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | trans | -70.7 | 92.1 | 169.8 | -175.9 | 5.6 | 0 | 0 | 0 | 108 | K143 T147 | K143-D145 PolarHBondContact O-N 3.34Å; D145-T147 PolarHBondContact O-N 3.05Å; D145-T147 VanDerWaalsContact OD1-CB 3.27Å; D145-T147 WeakPolarHBondContact OD1-CB 3.45Å; D145-T147 VanDerWaalsContact OD1-CG2 3.3Å; D145-T147 WeakPolarHBondContact OD1-CG2 2.99Å; D145-T147 PolarHBondContact OD1-N 3.04Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å; D145-T147 PolarHBondContact OD2-OG1 3.17Å | ||
| 146 | L | 47 | Very low | 47 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 56% | 0.56 | 68% | 0.677 | S | S | * | * | trans | -83.6 | 8.3 | 177.5 | -61.1 | 178.9 | 0 | 0 | 0 | 111.9 | A24 P144 P148 | A24-L146 HydrophobicContact CB-CD1 3.81Å; P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 HydrophobicContact CB-CD2 4.05Å; P144-L146 HydrophobicContact CB-CG 4.27Å; P144-L146 HydrophobicContact CG-CD1 4.4Å; P144-L146 HydrophobicContact CG-CD2 4.14Å; P144-L146 HydrophobicContact CG-CG 4.08Å; P144-L146 PolarHBondContact O-N 2.94Å; L146-P148 WeakPolarHBondContact O-CD 3Å | ||
| 147 | T | 50.8 | Low | 47.5 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 56% | 0.558 | 68% | 0.682 | S | S | * | * | trans | -65.3 | 118 | 175.1 | 62.6 | 0 | 0 | 0 | 0 | 108.6 | D145 R149 | D145-T147 PolarHBondContact O-N 3.05Å; D145-T147 VanDerWaalsContact OD1-CB 3.27Å; D145-T147 WeakPolarHBondContact OD1-CB 3.45Å; D145-T147 VanDerWaalsContact OD1-CG2 3.3Å; D145-T147 WeakPolarHBondContact OD1-CG2 2.99Å; D145-T147 PolarHBondContact OD1-N 3.04Å; D145-T147 PolarHBondContact OD1-OG1 3.35Å; D145-T147 PolarHBondContact OD2-OG1 3.17Å; T147-R149 PolarHBondContact O-N 2.99Å | ||
| 148 | P | 42.5 | Very low | 47.5 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -62.2 | 110.1 | 169.8 | -13.7 | 28.2 | 0 | 0 | 0 | 106 | L146 P150 | L146-P148 WeakPolarHBondContact O-CD 3Å; P148-P150 WeakPolarHBondContact O-CD 3.22Å; P148-P150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | R | 49.6 | Very low | 47.1 | Very low | 210 Ų | 210 | 120.9 Ų | 120.9 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -59.7 | 122 | 167.1 | -69.6 | -169 | 175.9 | -148.6 | -1.4 | 106 | T147 L151 | T147-R149 PolarHBondContact O-N 2.99Å; R149-L151 PolarHBondContact O-N 3.44Å; R149-L151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | P | 40.4 | Very low | 46.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -55.1 | 125.4 | 173.8 | 20.2 | -28.5 | 0 | 0 | 0 | 107.2 | P148 N152 | P148-P150 WeakPolarHBondContact O-CD 3.22Å; P148-P150 VanDerWaalsContact O-N 3.15Å; P150-N152 VanDerWaalsContact C-N 3.29Å; P150-N152 PolarHBondContact O-N 3.05Å | ||
| 151 | L | 43.5 | Very low | 46.8 | Very low | 167 Ų | 167 | 119 Ų | 119 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | trans | -59.7 | 103.6 | 165.7 | -75.5 | 167.1 | 0 | 0 | 0 | 105.1 | R149 S153 | R149-L151 PolarHBondContact O-N 3.44Å; R149-L151 VanDerWaalsContact O-N 3.1Å; L151-S153 PolarHBondContact O-N 3.19Å | ||
| 152 | N | 38 | Very low | 46.7 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -59.7 | 109.1 | 175.6 | -164.7 | 12.8 | 0 | 0 | 0 | 106.9 | P150 G154 | P150-N152 VanDerWaalsContact C-N 3.29Å; P150-N152 PolarHBondContact O-N 3.05Å; N152-G154 PolarHBondContact ND2-O 3.02Å; N152-G154 PolarHBondContact OD1-O 3.11Å | ||
| 153 | S | 47.6 | Very low | 46.8 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | -94.2 | 102.7 | 173.9 | 42.4 | 0 | 0 | 0 | 0 | 105.8 | L151 | L151-S153 PolarHBondContact O-N 3.19Š| ||
| 154 | G | 51.3 | Low | 46.5 | Very low | 37 Ų | 37 | 119.4 Ų | 119.4 | 38% | 0.381 | 69% | 0.688 | S | S | . | * | trans | 99.6 | 109.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N152 | N152-G154 PolarHBondContact ND2-O 3.02Å; N152-G154 PolarHBondContact OD1-O 3.11Å | ||
| 155 | D | 44 | Very low | 46.3 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | -140 | 113.5 | 53.4 | -55.7 | -52.9 | 0 | 0 | 0 | 110.3 | E157 | D155-E157 HydrophobicContact CB-CG 4.22Å; D155-E157 PolarHBondContact O-N 2.75Å | |||
| 156 | S | 45.3 | Very low | 46.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -68.2 | 85.6 | 160.2 | -78 | 0 | 0 | 0 | 0 | 108.9 | S158 | S156-S158 PolarHBondContact O-N 3.39Š| ||
| 157 | E | 49.5 | Very low | 45.9 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | -85.4 | 45.9 | 161.1 | -58.3 | -135.8 | 118.5 | 0 | 0 | 110.3 | D155 | D155-E157 HydrophobicContact CB-CG 4.22Å; D155-E157 PolarHBondContact O-N 2.75Å | ||
| 158 | S | 44.2 | Very low | 45.6 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -98.8 | 7.6 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | S156 | S156-S158 PolarHBondContact O-N 3.39Š| ||
| 159 | S | 43.9 | Very low | 45.8 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100.4 | 1.8 | -175.5 | -63.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 160 | S | 44.6 | Very low | 45.4 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -93.9 | -17.8 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | L162 | S160-L162 VanDerWaalsContact C-N 3.27Å; S160-L162 PolarHBondContact O-N 2.63Å |
| 161 | I | 47.1 | Very low | 45.8 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 2.1 | -176.2 | -60 | -167.1 | 0 | 0 | 0 | 113.3 | ||
| 162 | L | 47.1 | Very low | 45.5 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 1.9 | 175.9 | -66 | 178.7 | 0 | 0 | 0 | 114.7 | S160 | S160-L162 VanDerWaalsContact C-N 3.27Å; S160-L162 PolarHBondContact O-N 2.63Å |
| 163 | Q | 50.5 | Low | 46.2 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -108.1 | -2.1 | -175.7 | -147.4 | 85.2 | 15.9 | 0 | 0 | 115 | ||
| 164 | G | 45.2 | Very low | 45.9 | Very low | 49 Ų | 49 | 140.2 Ų | 140.2 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -120.1 | 131.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 165 | H | 45.8 | Very low | 45.5 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 89.3 | 61.3 | -177.1 | -53.3 | -88.3 | 0 | 0 | 0 | 115.9 | M167 | H165-M167 HydrophobicContact CB-CG 4.35Å; H165-M167 PolarHBondContact ND1-SD 2.82Å; H165-M167 PolarHBondContact O-N 3.37Å | ||
| 166 | R | 52.6 | Low | 45.9 | Very low | 257 Ų | 257 | 145.3 Ų | 145.3 | 97% | 0.97 | 77% | 0.772 | S | S | * | * | trans | -65 | 77.1 | 130.8 | -172.6 | 177.3 | 179.4 | 163.7 | -1.1 | 107.7 | ||||
| 167 | M | 41.2 | Very low | 46.2 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | -104.2 | 133.2 | 162.8 | -76.9 | -165.8 | 174.8 | 0 | 0 | 108.3 | H165 R169 | H165-M167 HydrophobicContact CB-CG 4.35Å; H165-M167 PolarHBondContact ND1-SD 2.82Å; H165-M167 PolarHBondContact O-N 3.37Å; M167-R169 PolarHBondContact O-N 3.48Å | ||
| 168 | T | 43.8 | Very low | 46.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -46.8 | 130.3 | -173.3 | 42.5 | 0 | 0 | 0 | 0 | 111.9 | D170 | T168-D170 VanDerWaalsContact C-N 3.32Å; T168-D170 PolarHBondContact O-N 3.21Å | ||
| 169 | R | 47.5 | Very low | 46.6 | Very low | 245 Ų | 245 | 142.2 Ų | 142.2 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -48.7 | 96.5 | 158.8 | 175.1 | -176.1 | -179.2 | 135.1 | -1.4 | 108.6 | M167 | M167-R169 PolarHBondContact O-N 3.48Š| ||
| 170 | D | 40.4 | Very low | 47.1 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -154.5 | 127.1 | 155 | -91.5 | -33.7 | 0 | 0 | 0 | 110.6 | T168 | T168-D170 VanDerWaalsContact C-N 3.32Å; T168-D170 PolarHBondContact O-N 3.21Å | ||
| 171 | Q | 48.8 | Very low | 47.6 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -9.3 | 125.7 | 166 | -56.1 | -123.8 | 55 | 0 | 0 | 118.7 | ||||
| 172 | S | 37.8 | Very low | 47.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -171 | 109.5 | 134.3 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 173 | T | 51.8 | Low | 48.1 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 22.5 | 107.3 | 134.4 | -26.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 174 | L | 42.3 | Very low | 48.3 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -62.2 | 129.9 | 161.9 | -110.6 | 133.1 | 0 | 0 | 0 | 109.5 | Q176 | L174-Q176 PolarHBondContact O-N 2.78Å; L174-Q176 VanDerWaalsContact O-N 3.09Å | ||
| 175 | P | 42.9 | Very low | 48.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | -68.2 | 113.9 | 176.7 | 26 | -30.7 | 0 | 0 | 0 | 109.2 | G177 | P175-G177 PolarHBondContact O-N 3.26Š| ||
| 176 | Q | 52.4 | Low | 49.1 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -3.6 | -175.2 | -154.3 | 123 | -20.1 | 0 | 0 | 115 | L174 | L174-Q176 PolarHBondContact O-N 2.78Å; L174-Q176 VanDerWaalsContact O-N 3.09Å |
| 177 | G | 51.8 | Low | 48.8 | Very low | 56 Ų | 56 | 139.2 Ų | 139.2 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -5.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117 | P175 | P175-G177 PolarHBondContact O-N 3.26Š|
| 178 | R | 49.9 | Very low | 49.2 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94.5 | -19.6 | -177.1 | -160.4 | 174.8 | -176.9 | -172.2 | 0.6 | 114.4 | D180 | R178-D180 VanDerWaalsContact C-N 3.31Š|
| 179 | A | 50.8 | Low | 48.9 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 50% | 0.504 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -70.5 | -30.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I182 L183 | A179-I182 PolarHBondContact O-N 3.05Å; A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.17Å |
| 180 | D | 54.1 | Low | 49.1 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -74.6 | -25.9 | -176.5 | -62.5 | -43.1 | 0 | 0 | 0 | 113.6 | R178 K184 | R178-D180 VanDerWaalsContact C-N 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.07Å; D180-K184 VanDerWaalsContact O-N 3.1Å |
| 181 | E | 55.9 | Low | 49 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.4 | -38.3 | 174.4 | -97.7 | -164.2 | 145.3 | 0 | 0 | 112.6 | L183 K184 L185 | E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.97Å; E181-K184 WeakPolarHBondContact O-CB 3.13Å; E181-K184 PolarHBondContact O-N 3.23Å; E181-L185 PolarHBondContact O-N 3.14Å |
| 182 | I | 51.8 | Low | 49 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 177.1 | -59.9 | 175.9 | 0 | 0 | 0 | 109.6 | A179 K184 L185 | A179-I182 PolarHBondContact O-N 3.05Å; I182-K184 VanDerWaalsContact C-N 3.32Å; I182-K184 PolarHBondContact O-N 3.48Å; I182-L185 PolarHBondContact O-N 3.17Å |
| 183 | L | 52.7 | Low | 49.2 | Very low | 112 Ų | 112 | 139 Ų | 139 | 59% | 0.586 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -71.1 | -23.5 | 176 | -69.9 | 166.4 | 0 | 0 | 0 | 113.3 | A179 E181 L185 I186 | A179-L183 WeakPolarHBondContact O-CG 3.42Å; A179-L183 PolarHBondContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.97Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.18Å; L183-I186 PolarHBondContact O-N 2.99Å |
| 184 | K | 55.4 | Low | 49.1 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -68.1 | -26.4 | 172 | -89.5 | 174.8 | 179.1 | 171.1 | 0 | 113.3 | D180 E181 I182 I186 | D180-K184 WeakPolarHBondContact O-CG 3.47Å; D180-K184 PolarHBondContact O-N 3.07Å; D180-K184 VanDerWaalsContact O-N 3.1Å; E181-K184 WeakPolarHBondContact O-CB 3.13Å; E181-K184 PolarHBondContact O-N 3.23Å; I182-K184 VanDerWaalsContact C-N 3.32Å; I182-K184 PolarHBondContact O-N 3.48Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.86Å |
| 185 | L | 56.3 | Low | 49.5 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -73.8 | -21.4 | 177.2 | -136.5 | 76.7 | 0 | 0 | 0 | 112.2 | E181 I182 L183 K187 | E181-L185 PolarHBondContact O-N 3.14Å; I182-L185 PolarHBondContact O-N 3.17Å; L183-L185 VanDerWaalsContact C-N 3.29Å; L183-L185 PolarHBondContact O-N 3.18Å; L185-K187 PolarHBondContact O-N 3.14Å |
| 186 | I | 50.7 | Low | 49.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 59% | 0.59 | 73% | 0.731 | S | S | * | * | trans | -102.7 | 57.7 | 177.7 | -46.8 | 174.5 | 0 | 0 | 0 | 108.6 | L183 K184 V188 | L183-I186 PolarHBondContact O-N 2.99Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.86Å; I186-V188 HydrophobicContact CG2-CG2 3.97Å; I186-V188 PolarHBondContact O-N 2.79Å | ||
| 187 | K | 47.2 | Very low | 49.7 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | -75.7 | 75.9 | 171.2 | -166.1 | 92.9 | 174.8 | 178.2 | 0 | 108.9 | L185 S189 | L185-K187 PolarHBondContact O-N 3.14Å; K187-S189 PolarHBondContact O-N 3.41Å | ||
| 188 | V | 48.6 | Very low | 49.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | trans | -73.4 | 104.1 | 165 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | I186 P190 | I186-V188 HydrophobicContact CG2-CG2 3.97Å; I186-V188 PolarHBondContact O-N 2.79Å; V188-P190 WeakPolarHBondContact O-CD 3.37Å | ||
| 189 | S | 38.8 | Very low | 49.5 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -63.9 | 121.9 | 171.1 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | K187 L191 | K187-S189 PolarHBondContact O-N 3.41Å; S189-L191 PolarHBondContact O-N 3.03Å | ||
| 190 | P | 50.1 | Low | 49.4 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -68.9 | 120.7 | 170.5 | -11.5 | 26.4 | 0 | 0 | 0 | 108.7 | V188 R192 | V188-P190 WeakPolarHBondContact O-CD 3.37Å; P190-R192 PolarHBondContact O-N 2.77Å | ||
| 191 | L | 39.8 | Very low | 49.1 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -65.8 | 112.8 | 162 | -71.5 | 168.6 | 0 | 0 | 0 | 106.8 | S189 T193 | S189-L191 PolarHBondContact O-N 3.03Å; L191-T193 PolarHBondContact O-N 2.99Å | ||
| 192 | R | 48 | Very low | 48.5 | Very low | 245 Ų | 245 | 150.1 Ų | 150.1 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 119.9 | 171.5 | -63.7 | -175.2 | -174.7 | -160.3 | 1.4 | 107.8 | P190 | P190-R192 PolarHBondContact O-N 2.77Š| ||
| 193 | T | 42.5 | Very low | 48.2 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 100% | 1.288 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 0 | 155.8 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | L191 | L191-T193 PolarHBondContact O-N 2.99Š|
Retrieved 193 of 193 residues in 59.1 ms
(Link to these results)