| 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 | 52.4 | Low | 56.7 | Low | 225 Ų | 225 | 126.3 Ų | 126.3 | 100% | 1.108 | 67% | 0.673 | S | S | * | * | 0 | 5.4 | 0 | -65.2 | -68.1 | -165.8 | 0 | 0 | 114.2 | |||||
| 2 | A | 55 | Low | 56.5 | Low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | trans | -90.3 | -27.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R4 A5 | A2-R4 PolarHBondContact O-N 3.17Å; A2-A5 PolarHBondContact O-N 3.35Å | ||
| 3 | M | 54.1 | Low | 56.5 | Low | 168 Ų | 168 | 127.9 Ų | 127.9 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.7 | -22.4 | -173.4 | -163.6 | 174.3 | -103.7 | 0 | 0 | 113.8 | ||
| 4 | R | 54.9 | Low | 56.1 | Low | 213 Ų | 213 | 125.6 Ų | 125.6 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.5 | -26.8 | 176.2 | -77.2 | -177.5 | 165 | 170.2 | -5 | 113.2 | A2 | A2-R4 PolarHBondContact O-N 3.17Å |
| 5 | A | 56.7 | Low | 55.5 | Low | 49 Ų | 49 | 120.7 Ų | 120.7 | 41% | 0.405 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -76.6 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2 C7 L8 F9 | A2-A5 PolarHBondContact O-N 3.35Å; A5-C7 PolarHBondContact O-N 3.42Å; A5-L8 PolarHBondContact O-N 3.42Å; A5-F9 WeakPolarHBondContact O-CD2 3.2Å; A5-F9 PolarHBondContact O-N 2.05Å |
| 6 | A | 57.3 | Low | 55.1 | Low | 55 Ų | 55 | 121.4 Ų | 121.4 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.4 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L8 F9 L10 | A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.41Å; A6-F9 PolarHBondContact O-N 3.29Å; A6-L10 PolarHBondContact O-N 2.79Å |
| 7 | C | 57.2 | Low | 54.6 | Low | 76 Ų | 76 | 124 Ų | 124 | 51% | 0.514 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -67.8 | -31.8 | 175.6 | -73.7 | 0 | 0 | 0 | 0 | 113.2 | A5 L11 | A5-C7 PolarHBondContact O-N 3.42Å; C7-L11 WeakPolarHBondContact O-CG 3.11Å; C7-L11 PolarHBondContact O-N 3.15Å |
| 8 | L | 59.2 | Low | 53.9 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 56% | 0.555 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69 | -39.9 | 175.7 | -70.3 | 170.9 | 0 | 0 | 0 | 110.8 | A5 A6 L10 L11 F12 | A5-L8 PolarHBondContact O-N 3.42Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.41Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-F12 VanDerWaalsContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å |
| 9 | F | 57.4 | Low | 53.3 | Low | 150 Ų | 150 | 123.4 Ų | 123.4 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.6 | -33.4 | 176.1 | -85.6 | -77.8 | 0 | 0 | 0 | 113.8 | A5 A6 L11 F12 | A5-F9 WeakPolarHBondContact O-CD2 3.2Å; A5-F9 PolarHBondContact O-N 2.05Å; A6-F9 PolarHBondContact O-N 3.29Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.47Å; F9-F12 PolarHBondContact O-N 2.89Å |
| 10 | L | 59.7 | Low | 52.6 | Low | 133 Ų | 133 | 120 Ų | 120 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.5 | -20.8 | 178.1 | -69.6 | 172.5 | 0 | 0 | 0 | 113.7 | A6 L8 | A6-L10 PolarHBondContact O-N 2.79Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.88Å |
| 11 | L | 59.6 | Low | 51.9 | Low | 129 Ų | 129 | 121.9 Ų | 121.9 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.2 | -17.3 | 176.5 | -70.4 | 170.4 | 0 | 0 | 0 | 113.4 | C7 L8 F9 P14 | C7-L11 WeakPolarHBondContact O-CG 3.11Å; C7-L11 PolarHBondContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 2.94Å; F9-L11 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.47Å; L11-P14 WeakPolarHBondContact O-CD 3.11Å |
| 12 | F | 54.8 | Low | 51.2 | Low | 157 Ų | 157 | 119.6 Ų | 119.6 | 69% | 0.689 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -96 | -9.3 | 178.9 | -80.2 | -79.6 | 0 | 0 | 0 | 114.6 | L8 F9 | L8-F12 VanDerWaalsContact O-CD2 3.3Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å; F9-F12 PolarHBondContact O-N 2.89Å |
| 13 | M | 56.3 | Low | 50.5 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 58% | 0.576 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -11.9 | 179.9 | -73.7 | -67.2 | 160.9 | 0 | 0 | 117.7 | G15 | M13-G15 VanDerWaalsContact C-N 3.29Å; M13-G15 PolarHBondContact O-N 2.83Å |
| 14 | P | 50.9 | Low | 50.2 | Low | 96 Ų | 96 | 120 Ų | 120 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.8 | 173.7 | 31.6 | -29.2 | 0 | 0 | 0 | 112.9 | L11 | L11-P14 WeakPolarHBondContact O-CD 3.11Š|
| 15 | G | 46.3 | Very low | 49.7 | Very low | 52 Ų | 52 | 116.2 Ų | 116.2 | 54% | 0.536 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -84.6 | -19.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M13 | M13-G15 VanDerWaalsContact C-N 3.29Å; M13-G15 PolarHBondContact O-N 2.83Å |
| 16 | L | 49.7 | Very low | 49.3 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -95.9 | -13.6 | -173.1 | -86.3 | 156.8 | 0 | 0 | 0 | 114.6 | ||
| 17 | L | 46 | Very low | 48.9 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.5 | -4.7 | 174.5 | -76.2 | 171.2 | 0 | 0 | 0 | 113.6 | ||
| 18 | A | 43.4 | Very low | 48.6 | Very low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -96.2 | 0.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G20 | A18-G20 PolarHBondContact O-N 2.89Š|
| 19 | Q | 41.3 | Very low | 48.2 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -85.2 | 41.9 | 167.4 | -74.2 | -115.2 | -65.1 | 0 | 0 | 111.2 | Q21 | Q19-Q21 VanDerWaalsContact C-N 3.27Å; Q19-Q21 PolarHBondContact O-N 2.81Å | ||
| 20 | G | 39.5 | Very low | 47.5 | Very low | 55 Ų | 55 | 128.8 Ų | 128.8 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | trans | -67.9 | 97.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | A18 Y22 | A18-G20 PolarHBondContact O-N 2.89Å; G20-Y22 WeakPolarHBondContact O-CD1 3.5Å; G20-Y22 PolarHBondContact O-N 2.78Å | ||
| 21 | Q | 38.4 | Very low | 47 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | -43.6 | 102.1 | 176.5 | -165.1 | 150.1 | -53.8 | 0 | 0 | 110.2 | Q19 D23 | Q19-Q21 VanDerWaalsContact C-N 3.27Å; Q19-Q21 PolarHBondContact O-N 2.81Å; Q21-D23 PolarHBondContact NE2-OD2 3.46Å; Q21-D23 PolarHBondContact O-N 3.04Å | ||
| 22 | Y | 38.3 | Very low | 46.3 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | trans | -71.9 | 85.5 | 159.1 | 29.7 | -87.7 | 0 | 0 | 0 | 105.4 | G20 L24 | G20-Y22 WeakPolarHBondContact O-CD1 3.5Å; G20-Y22 PolarHBondContact O-N 2.78Å; Y22-L24 HydrophobicContact CD2-CD1 4.25Å; Y22-L24 PolarHBondContact O-N 2.81Å | ||
| 23 | D | 39.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 71% | 0.708 | S | S | * | * | trans | -62.3 | 95.6 | 162.6 | -124.1 | -62.2 | 0 | 0 | 0 | 106 | Q21 D25 | Q21-D23 PolarHBondContact NE2-OD2 3.46Å; Q21-D23 PolarHBondContact O-N 3.04Å; D23-D25 PolarHBondContact O-N 2.79Å | ||
| 24 | L | 48.1 | Very low | 45.2 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -71.6 | 89.5 | 161.9 | -93.5 | 93.2 | 0 | 0 | 0 | 105.8 | Y22 | Y22-L24 HydrophobicContact CD2-CD1 4.25Å; Y22-L24 PolarHBondContact O-N 2.81Å | ||
| 25 | D | 43.7 | Very low | 44.6 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 128.2 | 163.7 | -106.3 | -66.4 | 0 | 0 | 0 | 108.7 | D23 L27 | D23-D25 PolarHBondContact O-N 2.79Å; D25-L27 PolarHBondContact O-N 3.41Å; D25-L27 VanDerWaalsContact O-N 3.13Å |
| 26 | P | 48.4 | Very low | 44.2 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59 | 120.6 | 174.7 | -19.2 | 29.8 | 0 | 0 | 0 | 109.1 | ||
| 27 | L | 49 | Very low | 43.8 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.9 | 171.5 | -70.8 | 170.2 | 0 | 0 | 0 | 108.8 | D25 | D25-L27 PolarHBondContact O-N 3.41Å; D25-L27 VanDerWaalsContact O-N 3.13Å |
| 28 | P | 51.5 | Low | 43.6 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 146 | 176.7 | 23.8 | -31.4 | 0 | 0 | 0 | 109.6 | F30 | P28-F30 PolarHBondContact O-N 3.4Š|
| 29 | P | 51.1 | Low | 43.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 135.5 | 176.6 | 24.3 | -32.2 | 0 | 0 | 0 | 109.3 | P31 | P29-P31 WeakPolarHBondContact O-CD 3.46Å; P29-P31 VanDerWaalsContact O-N 3.17Å |
| 30 | F | 41.8 | Very low | 43.5 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 121.6 | 175 | -82.1 | -90.5 | 0 | 0 | 0 | 109 | P28 D32 | P28-F30 PolarHBondContact O-N 3.4Å; F30-D32 PolarHBondContact O-N 3.27Å; F30-D32 VanDerWaalsContact O-N 3.08Å |
| 31 | P | 49.5 | Very low | 43.7 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 59% | 0.591 | 71% | 0.713 | S | S | * | * | trans | -70.5 | 107.8 | 170.4 | 25.7 | -28.5 | 0 | 0 | 0 | 107.9 | P29 H33 V34 | P29-P31 WeakPolarHBondContact O-CD 3.46Å; P29-P31 VanDerWaalsContact O-N 3.17Å; P31-H33 PolarHBondContact O-N 2.9Å; P31-V34 HydrophobicContact CG-CG2 3.93Å | ||
| 32 | D | 44.6 | Very low | 43.8 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -56.3 | 122.2 | 155.1 | -76.1 | -50.1 | 0 | 0 | 0 | 106.3 | F30 | F30-D32 PolarHBondContact O-N 3.27Å; F30-D32 VanDerWaalsContact O-N 3.08Å |
| 33 | H | 47.5 | Very low | 44.1 | Very low | 184 Ų | 184 | 135 Ų | 135 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | trans | 82.9 | 71.2 | 179.5 | -31.5 | -59.1 | 0 | 0 | 0 | 116.1 | P31 Q35 | P31-H33 PolarHBondContact O-N 2.9Å; H33-Q35 PolarHBondContact O-N 3.39Å | ||
| 34 | V | 41.4 | Very low | 44.3 | Very low | 72 Ų | 72 | 137 Ų | 137 | 44% | 0.436 | 72% | 0.716 | S | S | . | * | trans | -79.2 | 105.5 | 164.5 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | P31 Y36 | P31-V34 HydrophobicContact CG-CG2 3.93Å; V34-Y36 HydrophobicContact CG1-CD2 4.11Å; V34-Y36 HydrophobicContact CG1-CE2 4.34Å; V34-Y36 PolarHBondContact O-N 2.88Å | ||
| 35 | Q | 38.3 | Very low | 44 | Very low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | -75.6 | 109.1 | 164.2 | -161.3 | -167.6 | -16.3 | 0 | 0 | 108.6 | H33 N37 | H33-Q35 PolarHBondContact O-N 3.39Å; Q35-N37 PolarHBondContact O-N 3.04Å | ||
| 36 | Y | 38.5 | Very low | 44 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 23.4 | -168.5 | -110 | -89.7 | 0 | 0 | 0 | 116.8 | V34 | V34-Y36 HydrophobicContact CG1-CD2 4.11Å; V34-Y36 HydrophobicContact CG1-CE2 4.34Å; V34-Y36 PolarHBondContact O-N 2.88Å |
| 37 | N | 39.5 | Very low | 43.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 4.4 | -168 | -77.7 | -27.6 | 0 | 0 | 0 | 116.3 | Q35 | Q35-N37 PolarHBondContact O-N 3.04Š|
| 38 | H | 42.2 | Very low | 43.8 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -131.2 | 11 | -169.4 | -154.4 | 59.3 | 0 | 0 | 0 | 117.4 | G40 | H38-G40 VanDerWaalsContact C-N 3.34Š|
| 39 | Y | 38.8 | Very low | 43.1 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -84.3 | -3.8 | 177.5 | -84.3 | -79.7 | 0 | 0 | 0 | 114.9 | ||
| 40 | G | 43.6 | Very low | 42.5 | Very low | 64 Ų | 64 | 143.6 Ų | 143.6 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -76.7 | -36.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H38 | H38-G40 VanDerWaalsContact C-N 3.34Š|
| 41 | D | 44.5 | Very low | 42.2 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -84.6 | -25.6 | -166.2 | -121.1 | -99.8 | 0 | 0 | 0 | 114 | ||
| 42 | Q | 39.8 | Very low | 41.6 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -89.4 | -9.1 | -171.6 | -155.3 | 169.4 | 26.7 | 0 | 0 | 114.3 | ||
| 43 | I | 45.6 | Very low | 41.3 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 53% | 0.533 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -94 | -16.9 | -179.2 | -58.1 | 175.4 | 0 | 0 | 0 | 111.4 | N45 | I43-N45 PolarHBondContact O-N 2.93Š|
| 44 | D | 43.2 | Very low | 40.7 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -10 | -178.9 | -137.9 | -100.8 | 0 | 0 | 0 | 113.4 | ||
| 45 | N | 41.6 | Very low | 40.4 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -3.2 | -174.5 | -153.7 | -105.7 | 0 | 0 | 0 | 115.6 | I43 | I43-N45 PolarHBondContact O-N 2.93Š|
| 46 | A | 44.2 | Very low | 40.4 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -123.8 | 72.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 47 | D | 41.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 167.7 | 66.3 | 143.2 | -85 | -33.4 | 0 | 0 | 0 | 110.6 | ||||
| 48 | Y | 50.8 | Low | 40.2 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -86.7 | 100.3 | 165.2 | -178.6 | -92.2 | 0 | 0 | 0 | 108.9 | ||||
| 49 | Y | 36.1 | Very low | 39.9 | Very low | 208 Ų | 208 | 150.7 Ų | 150.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 100.2 | 163.9 | -81.3 | -73 | 0 | 0 | 0 | 112.8 | ||||
| 50 | D | 38.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 49.4 | 91.3 | 130.4 | -157.4 | 31.5 | 0 | 0 | 0 | 118.6 | ||||
| 51 | Y | 35.5 | Very low | 39.7 | Very low | 232 Ų | 232 | 157 Ų | 157 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 106.1 | 154.1 | -89.2 | -91 | 0 | 0 | 0 | 108.8 | E53 | Y51-E53 PolarHBondContact O-N 2.83Š| ||
| 52 | Q | 38.3 | Very low | 39.1 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -55.8 | 131.7 | 163.4 | -92.6 | -178.4 | -24 | 0 | 0 | 110.5 | V54 | Q52-V54 PolarHBondContact O-N 2.85Š| ||
| 53 | E | 37.8 | Very low | 38.8 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -46.1 | 124.6 | 179.3 | -63.5 | -175.2 | 153.3 | 0 | 0 | 113.5 | Y51 | Y51-E53 PolarHBondContact O-N 2.83Š| ||
| 54 | V | 34.5 | Very low | 38.4 | Very low | 141 Ų | 141 | 165.5 Ų | 165.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -110.4 | 117 | 155 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | Q52 | Q52-V54 PolarHBondContact O-N 2.85Š| ||
| 55 | S | 35.1 | Very low | 38.1 | Very low | 99 Ų | 99 | 163.4 Ų | 163.4 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -39.2 | 137.3 | 175.4 | -166.5 | 0 | 0 | 0 | 0 | 114 | R57 | S55-R57 PolarHBondContact O-N 2.86Š| ||
| 56 | P | 38.1 | Very low | 37.8 | Very low | 122 Ų | 122 | 165.6 Ų | 165.6 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.4 | -174.6 | 26.2 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 57 | R | 37.8 | Very low | 37.7 | Very low | 248 Ų | 248 | 171.1 Ų | 171.1 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 146.5 | 163.5 | -70.7 | -168.1 | 175.4 | -176 | -0.5 | 110.2 | S55 | S55-R57 PolarHBondContact O-N 2.86Š|
| 58 | T | 35.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 173.1 Ų | 173.1 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66 | 155.8 | -164.4 | 40.8 | 0 | 0 | 0 | 0 | 115.6 | E60 | T58-E60 PolarHBondContact O-N 2.89Š|
| 59 | P | 35.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 169.7 Ų | 169.7 | 79% | 0.792 | 84% | 0.839 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 12 | -161.9 | -13.1 | 31 | 0 | 0 | 0 | 118 | ||
| 60 | E | 38.3 | Very low | 36.7 | Very low | 173 Ų | 173 | 169.2 Ų | 169.2 | 81% | 0.808 | 84% | 0.844 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -3.1 | -160.8 | -67.3 | -168.1 | 120.8 | 0 | 0 | 117 | T58 | T58-E60 PolarHBondContact O-N 2.89Š|
| 61 | E | 40.3 | Very low | 36.4 | Very low | 201 Ų | 201 | 171.8 Ų | 171.8 | 94% | 0.939 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -106.3 | 11 | -173.9 | -66.7 | -153.4 | 116.1 | 0 | 0 | 116.9 | ||
| 62 | Q | 33.2 | Very low | 36.2 | Very low | 183 Ų | 183 | 169.7 Ų | 169.7 | 86% | 0.855 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -106.6 | 5.8 | -178.8 | -148.5 | 168.9 | -48.7 | 0 | 0 | 115.3 | ||
| 63 | F | 33.6 | Very low | 36 | Very low | 200 Ų | 200 | 166.9 Ų | 166.9 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -91 | 8.2 | -172 | -103.7 | -84.5 | 0 | 0 | 0 | 116.6 | ||
| 64 | Q | 36 | Very low | 35.8 | Very low | 194 Ų | 194 | 164.7 Ų | 164.7 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -134.9 | 51 | -170.3 | -152.1 | 175.7 | 2.2 | 0 | 0 | 115.5 | ||
| 65 | S | 36.5 | Very low | 35.9 | Very low | 108 Ų | 108 | 163.2 Ų | 163.2 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -148.4 | 2.3 | 166.8 | 56.3 | 0 | 0 | 0 | 0 | 118.3 | ||
| 66 | Q | 35.7 | Very low | 35.6 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -137.8 | 74.3 | 172.9 | -68 | -166.3 | 32.2 | 0 | 0 | 112.5 | ||||
| 67 | Q | 42.7 | Very low | 35.6 | Very low | 189 Ų | 189 | 163 Ų | 163 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -125.2 | 84.4 | 162.2 | -160.8 | 177.5 | 39.7 | 0 | 0 | 108.3 | ||||
| 68 | Q | 39.9 | Very low | 35.4 | Very low | 193 Ų | 193 | 157 Ų | 157 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -176.9 | 85.9 | 154.4 | -108.2 | 176.5 | -13 | 0 | 0 | 110.5 | ||||
| 69 | V | 34.8 | Very low | 35.7 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -150.6 | 125.5 | 131.4 | -173.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 70 | Q | 31.6 | Very low | 35.6 | Very low | 198 Ų | 198 | 160 Ų | 160 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.6 | -179.2 | -84.7 | 167.5 | 19 | 0 | 0 | 112 | ||
| 71 | Q | 32.4 | Very low | 35.8 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 117.3 | 176.6 | -170.8 | 169 | 1.9 | 0 | 0 | 108.5 | V73 | Q71-V73 HydrophobicContact CG-CG2 3.9Š|
| 72 | E | 32.5 | Very low | 35.9 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 117.7 | 162.7 | -165.7 | 162.9 | 150.2 | 0 | 0 | 107.8 | ||
| 73 | V | 33.1 | Very low | 35.8 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 64% | 0.642 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 124.3 | -170.6 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | Q71 | Q71-V73 HydrophobicContact CG-CG2 3.9Š|
| 74 | I | 34.8 | Very low | 36.3 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -134.6 | 135.7 | 156.9 | -53.7 | 177.8 | 0 | 0 | 0 | 107.9 | ||||
| 75 | P | 35.5 | Very low | 36 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 147 | -159.4 | -5.5 | 24.4 | 0 | 0 | 0 | 113.8 | ||
| 76 | A | 30.4 | Very low | 36.2 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 142.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 77 | P | 36.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 136.4 | 161 | 30.4 | -22.6 | 0 | 0 | 0 | 111.1 | ||
| 78 | T | 34.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -45.4 | 142 | 176.1 | -47.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 79 | P | 41.3 | Very low | 36.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -88.2 | 126 | 165.7 | 32.3 | -26.1 | 0 | 0 | 0 | 110.6 | ||||
| 80 | E | 33 | Very low | 36.5 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -122.3 | 150.5 | 161.9 | -75 | -161.8 | 129.4 | 0 | 0 | 110.7 | ||||
| 81 | P | 43.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -100.5 | 152.9 | -146.4 | 36.4 | -31.2 | 0 | 0 | 0 | 114.9 | ||||
| 82 | A | 42.7 | Very low | 38.3 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 32.1 | 111.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 83 | A | 31.2 | Very low | 39.1 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -130.9 | 107.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 84 | A | 43.3 | Very low | 40 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | trans | -57.9 | 130.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 85 | G | 29.8 | Very low | 40.9 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -161 | 100.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109 | L87 | G85-L87 PolarHBondContact O-N 3.26Š| ||
| 86 | D | 41.7 | Very low | 41.9 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -44 | 116.8 | 156.9 | -95.9 | -46.1 | 0 | 0 | 0 | 109.3 | ||||
| 87 | L | 39.5 | Very low | 43.1 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -132.1 | 92.7 | 158.7 | -73.1 | 176.8 | 0 | 0 | 0 | 107.1 | G85 T89 | G85-L87 PolarHBondContact O-N 3.26Å; L87-T89 PolarHBondContact O-N 3.3Å | ||
| 88 | E | 44.3 | Very low | 44.7 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -53.1 | 116.1 | 150.7 | -87.4 | -161.2 | 94.3 | 0 | 0 | 108.4 | ||||
| 89 | T | 38.1 | Very low | 46.9 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -136 | 104.5 | 156.9 | 34.5 | 0 | 0 | 0 | 0 | 109 | L87 | L87-T89 PolarHBondContact O-N 3.3Š| ||
| 90 | E | 35.9 | Very low | 48.9 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 40.9 | 130.2 | 141.7 | -157.1 | -173.8 | 122.2 | 0 | 0 | 120.5 | T92 | E90-T92 PolarHBondContact O-N 2.83Š| ||
| 91 | P | 52.8 | Low | 51.4 | Low | 133 Ų | 133 | 126.4 Ų | 126.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -75.2 | 90.9 | -179.8 | 32.2 | -35.5 | 0 | 0 | 0 | 111.6 | ||||
| 92 | T | 49.1 | Very low | 53.5 | Low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -97.4 | 125.1 | 164.5 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | E90 | E90-T92 PolarHBondContact O-N 2.83Š| ||
| 93 | E | 50.9 | Low | 55.5 | Low | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | -14.9 | 121.9 | 173 | -141 | -172.8 | 149.9 | 0 | 0 | 115.3 | G95 | E93-G95 PolarHBondContact O-N 2.03Š| ||
| 94 | P | 50.3 | Low | 58.1 | Low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | -62.3 | 108.3 | -178 | -17.8 | 29.3 | 0 | 0 | 0 | 110.2 | ||||
| 95 | G | 55.2 | Low | 60 | Low | 42 Ų | 42 | 125.9 Ų | 125.9 | 43% | 0.433 | 69% | 0.687 | S | S | . | * | trans | -61.8 | 153.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E93 L97 D98 | E93-G95 PolarHBondContact O-N 2.03Å; G95-L97 PolarHBondContact O-N 3.35Å; G95-D98 PolarHBondContact O-N 3.19Å | ||
| 96 | P | 55.1 | Low | 62.7 | Low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 17.7 | -176.2 | 25.4 | -35 | 0 | 0 | 0 | 115.9 | ||
| 97 | L | 57.3 | Low | 64.8 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 14.1 | -174.2 | -63 | 173.2 | 0 | 0 | 0 | 113.8 | G95 C99 | G95-L97 PolarHBondContact O-N 3.35Å; L97-C99 PolarHBondContact O-N 2.87Å |
| 98 | D | 69.8 | Low | 66.8 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 59% | 0.594 | 64% | 0.638 | S | S | * | * | trans | -73.2 | 70.6 | 170.3 | -96.8 | -11.2 | 0 | 0 | 0 | 110.9 | G95 A145 | G95-D98 PolarHBondContact O-N 3.19Å; D98-A145 HydrophobicContact CB-CB 4.49Å; D98-A145 PolarHBondContact O-N 2.79Å; D98-A145 VanDerWaalsContact O-N 3.15Å | ||
| 99 | C | 79.5 | Confident | 68.7 | Low | 64 Ų | 64 | 116.3 Ų | 116.3 | 43% | 0.432 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.3 | 166.9 | -63.5 | 0 | 0 | 0 | 0 | 108.3 | L97 T142 V143 C144 | L97-C99 PolarHBondContact O-N 2.87Å; C99-T142 HydrophobicContact CB-CG2 3.74Å; C99-V143 CarbonylContact C-O 3.53Å; C99-V143 VanDerWaalsContact CA-O 3.3Å; C99-V143 WeakPolarHBondContact CA-O 3.42Å; C99-C144 HydrophobicContact CB-CB 4.12Å; C99-C144 WeakPolarHBondContact CB-SG 3.38Å; C99-C144 WeakPolarHBondContact SG-CB 3.45Å; C99-C144 CovalentContact SG-SG 2.04Å; C99-C144 PolarHBondContact SG-SG 3.32Å |
| 100 | R | 83.6 | Confident | 70.9 | Confident | 162 Ų | 162 | 113.6 Ų | 113.6 | 61% | 0.611 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.2 | 173.1 | 70.8 | 179.9 | -174.7 | -164 | -1.7 | 110.6 | E102 V143 | R100-E102 HydrophobicContact CG-CG 4.17Å; R100-E102 IonicContact CZ-OE1 3.14Å; R100-E102 IonicContact NE-OE1 2.8Å; R100-E102 PolarHBondContact NE-OE1 2.91Å; R100-E102 IonicContact NH2-OE1 2.74Å; R100-E102 PolarHBondContact NH2-OE1 3.24Å; R100-V143 PolarHBondContact N-O 2.8Å; R100-V143 PolarHBondContact O-N 2.86Å |
| 101 | E | 86.3 | Confident | 73.5 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 118 | 172.5 | -65.6 | -174.4 | 167.6 | 0 | 0 | 109.6 | ||
| 102 | E | 87.3 | Confident | 75.4 | Confident | 68 Ų | 68 | 106.4 Ų | 106.4 | 32% | 0.318 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.7 | 174.3 | -66.4 | -169 | 172.3 | 0 | 0 | 110.5 | R100 R141 V143 | R100-E102 HydrophobicContact CG-CG 4.17Å; R100-E102 IonicContact CZ-OE1 3.14Å; R100-E102 IonicContact NE-OE1 2.8Å; R100-E102 PolarHBondContact NE-OE1 2.91Å; R100-E102 IonicContact NH2-OE1 2.74Å; R100-E102 PolarHBondContact NH2-OE1 3.24Å; E102-R141 PolarHBondContact N-O 2.83Å; E102-R141 PolarHBondContact O-N 2.04Å; E102-V143 HydrophobicContact CB-CG2 4.15Å; E102-V143 HydrophobicContact CG-CB 4.31Å; E102-V143 HydrophobicContact CG-CG2 3.89Å |
| 103 | Q | 84.6 | Confident | 77.5 | Confident | 144 Ų | 144 | 105.5 Ų | 105.5 | 67% | 0.673 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130 | 172.8 | -76 | 177.4 | 42.6 | 0 | 0 | 109.5 | I138 C139 V140 | Q103-I138 HydrophobicContact CB-CG2 3.58Å; Q103-I138 HydrophobicContact CG-CG2 3.77Å; Q103-C139 CarbonylContact C-O 3.6Å; Q103-C139 WeakPolarHBondContact CA-O 3.48Å; Q103-V140 HydrophobicContact CG-CG1 3.86Å |
| 104 | Y | 85.5 | Confident | 79.5 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.5 | 176.2 | 65.4 | -82.5 | 0 | 0 | 0 | 111.1 | C106 C139 R141 | Y104-C106 HydrophobicContact CD2-CB 4.37Å; Y104-C106 HydrophobicContact CE2-CB 4.05Å; Y104-C106 PolarHBondContact O-N 3.35Å; Y104-C139 HydrophobicContact CD1-CB 4.11Å; Y104-C139 VanDerWaalsContact CD1-O 3.31Å; Y104-C139 WeakPolarHBondContact CD1-O 3.34Å; Y104-C139 HydrophobicContact CD2-CB 4.09Å; Y104-C139 HydrophobicContact CE1-CB 3.54Å; Y104-C139 HydrophobicContact CE2-CB 3.55Å; Y104-C139 HydrophobicContact CG-CB 4.36Å; Y104-C139 PolarHBondContact N-O 2.93Å; Y104-C139 PolarHBondContact O-N 3.34Å; Y104-C139 WeakPolarHBondContact OH-CB 3.47Å; Y104-R141 HydrophobicContact CD1-CB 4.22Å; Y104-R141 HydrophobicContact CE1-CB 3.68Å |
| 105 | P | 84.1 | Confident | 81.5 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 66% | 0.656 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.4 | 176.3 | 27.2 | -32.4 | 0 | 0 | 0 | 109.4 | ||
| 106 | C | 85.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 102.4 Ų | 102.4 | 15% | 0.149 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.2 | 173.8 | 59.1 | 0 | 0 | 0 | 0 | 110 | Y104 E137 C139 | Y104-C106 HydrophobicContact CD2-CB 4.37Å; Y104-C106 HydrophobicContact CE2-CB 4.05Å; Y104-C106 PolarHBondContact O-N 3.35Å; C106-E137 PolarHBondContact N-O 3.27Å; C106-E137 PolarHBondContact O-N 3.47Å; C106-E137 PolarHBondContact SG-O 3.37Å; C106-C139 HydrophobicContact CB-CB 3.75Å; C106-C139 WeakPolarHBondContact CB-SG 3.34Å; C106-C139 WeakPolarHBondContact SG-CB 3.16Å; C106-C139 PolarHBondContact SG-N 3.04Å; C106-C139 VanDerWaalsContact SG-N 3.35Å; C106-C139 CovalentContact SG-SG 2.03Å; C106-C139 PolarHBondContact SG-SG 2.97Å |
| 107 | T | 85.6 | Confident | 85.1 | Confident | 106 Ų | 106 | 102.2 Ų | 102.2 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.8 | 177.9 | 47.3 | 0 | 0 | 0 | 0 | 109.1 | V134 N135 | T107-V134 HydrophobicContact CG2-CG1 3.53Å; T107-N135 WeakPolarHBondContact CA-O 3.09Å |
| 108 | R | 82.3 | Confident | 86.6 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.6 | 169.1 | -169 | 159.1 | 171 | -149.8 | 9.6 | 109 | Y110 N135 | R108-Y110 HydrophobicContact CB-CE2 3.75Å; R108-Y110 WeakPolarHBondContact CD-OH 3.14Å; R108-Y110 HydrophobicContact CG-CD2 4.4Å; R108-Y110 HydrophobicContact CG-CE1 4.06Å; R108-Y110 HydrophobicContact CG-CE2 3.68Å; R108-Y110 PolarHBondContact NE-OH 3.45Å; R108-Y110 PolarHBondContact NH1-OH 2.75Å; R108-Y110 WeakPolarHBondContact O-CD2 3.49Å; R108-N135 PolarHBondContact N-O 3.49Å; R108-N135 PolarHBondContact O-N 3.38Å |
| 109 | L | 84.8 | Confident | 87.7 | Confident | 110 Ų | 110 | 98.9 Ų | 98.9 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.6 | -179.5 | -167.9 | 73.5 | 0 | 0 | 0 | 110 | Y132 V134 | L109-Y132 HydrophobicContact CD1-CD1 4.33Å; L109-Y132 HydrophobicContact CD1-CG 4.42Å; L109-Y132 HydrophobicContact CD2-CD1 3.82Å; L109-Y132 HydrophobicContact CD2-CE1 4.38Å; L109-Y132 HydrophobicContact CG-CD1 4Å; L109-V134 HydrophobicContact CD1-CG2 3.71Å |
| 110 | Y | 84.6 | Confident | 88.4 | Confident | 72 Ų | 72 | 102 Ų | 102 | 28% | 0.282 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.6 | 174.8 | -57.7 | -87.9 | 0 | 0 | 0 | 109.5 | R108 Y132 V133 N135 E137 | R108-Y110 HydrophobicContact CB-CE2 3.75Å; R108-Y110 WeakPolarHBondContact CD-OH 3.14Å; R108-Y110 HydrophobicContact CG-CD2 4.4Å; R108-Y110 HydrophobicContact CG-CE1 4.06Å; R108-Y110 HydrophobicContact CG-CE2 3.68Å; R108-Y110 PolarHBondContact NE-OH 3.45Å; R108-Y110 PolarHBondContact NH1-OH 2.75Å; R108-Y110 WeakPolarHBondContact O-CD2 3.49Å; Y110-Y132 CarbonylContact O-C 3.58Å; Y110-Y132 WeakPolarHBondContact O-CA 3.41Å; Y110-V133 PolarHBondContact N-O 3.41Å; Y110-V133 PolarHBondContact O-N 3.24Å; Y110-N135 HydrophobicContact CD2-CB 4.17Å; Y110-N135 HydrophobicContact CE2-CB 3.53Å; Y110-E137 PolarHBondContact OH-OE1 3.13Å |
| 111 | S | 89.4 | Confident | 88.7 | Confident | 58 Ų | 58 | 102.2 Ų | 102.2 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.6 | 170.5 | 66 | 0 | 0 | 0 | 0 | 109.6 | ||
| 112 | I | 91.9 | Very high | 88.9 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.3 | -179 | -51.7 | -176.9 | 0 | 0 | 0 | 108.6 | V131 V133 | I112-V131 PolarHBondContact N-O 3.49Å; I112-V131 PolarHBondContact O-N 3.4Å; I112-V131 VanDerWaalsContact O-O 3.14Å; I112-V133 HydrophobicContact CD1-CB 3.97Å; I112-V133 HydrophobicContact CD1-CG2 3.59Å; I112-V133 HydrophobicContact CG1-CG2 4.22Å |
| 113 | H | 93.6 | Very high | 89.1 | Confident | 96 Ų | 96 | 105 Ų | 105 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.8 | 172.8 | -64.5 | 94.3 | 0 | 0 | 0 | 109.2 | R130 | H113-R130 PolarHBondContact NE2-NE 3.29Å; H113-R130 PolarHBondContact NE2-NH2 2.93Å |
| 114 | K | 92.6 | Very high | 89.5 | Confident | 132 Ų | 132 | 100.4 Ų | 100.4 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.6 | 174.3 | -176.8 | 170.6 | -178.4 | 168.6 | 0 | 108.8 | C116 R129 V131 | K114-C116 PolarHBondContact O-N 2.8Å; K114-R129 PolarHBondContact N-O 3.15Å; K114-R129 PolarHBondContact O-N 2.69Å; K114-V131 HydrophobicContact CB-CG2 3.37Å; K114-V131 HydrophobicContact CD-CG2 4.37Å; K114-V131 HydrophobicContact CG-CG2 4.49Å |
| 115 | P | 93.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.9 | 170.5 | 26.9 | -31.4 | 0 | 0 | 0 | 109.8 | S127 L128 | P115-S127 CarbonylContact C-O 3.59Å; P115-S127 WeakPolarHBondContact CA-O 3.43Å; P115-L128 HydrophobicContact CB-CD2 4.06Å |
| 116 | C | 91.2 | Very high | 90.3 | Very high | 36 Ų | 36 | 104 Ų | 104 | 24% | 0.243 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.2 | 175.9 | -63.6 | 0 | 0 | 0 | 0 | 108.6 | K114 Y126 S127 | K114-C116 PolarHBondContact O-N 2.8Å; C116-Y126 WeakPolarHBondContact O-CA 3.43Å; C116-S127 PolarHBondContact N-O 3.04Å; C116-S127 PolarHBondContact O-N 2.93Å |
| 117 | K | 93.3 | Very high | 90.6 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.8 | 174.6 | -178.6 | 176.6 | 174.5 | 170.9 | 0 | 108.3 | C119 C124 F125 Y126 | K117-C119 WeakPolarHBondContact CE-SG 3.31Å; K117-C124 WeakPolarHBondContact CE-SG 3.38Å; K117-C124 HydrophobicContact CG-CB 4.41Å; K117-F125 WeakPolarHBondContact CA-O 3.3Å; K117-Y126 HydrophobicContact CB-CD1 4.28Å; K117-Y126 HydrophobicContact CB-CE1 4.13Å; K117-Y126 HydrophobicContact CD-CE1 3.86Å; K117-Y126 HydrophobicContact CG-CD1 4.43Å; K117-Y126 HydrophobicContact CG-CE1 4Å; K117-Y126 PolarHBondContact NZ-OH 3.15Å |
| 118 | Q | 90 | Very high | 91 | Very high | 131 Ų | 131 | 106.4 Ų | 106.4 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.7 | 174.3 | -69.2 | 179.1 | -34.4 | 0 | 0 | 108 | C124 F125 | Q118-C124 WeakPolarHBondContact O-CA 3.08Å; Q118-F125 PolarHBondContact N-O 3.5Å; Q118-F125 PolarHBondContact O-N 3.5Å |
| 119 | C | 92.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 107.9 Ų | 107.9 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.9 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | K117 V123 C124 | K117-C119 WeakPolarHBondContact CE-SG 3.31Å; C119-V123 WeakPolarHBondContact CA-O 3.47Å; C119-C124 HydrophobicContact CB-CB 4.15Å; C119-C124 WeakPolarHBondContact CB-SG 3.39Å; C119-C124 WeakPolarHBondContact SG-CB 2.98Å; C119-C124 CovalentContact SG-SG 2.05Å; C119-C124 PolarHBondContact SG-SG 3.02Å |
| 120 | L | 92.9 | Very high | 91.8 | Very high | 128 Ų | 128 | 108.8 Ų | 108.8 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 106.6 | 168.9 | -73.9 | 163.3 | 0 | 0 | 0 | 106.3 | E122 V123 | L120-E122 PolarHBondContact O-N 2.92Å; L120-V123 PolarHBondContact N-O 3.02Å; L120-V123 PolarHBondContact O-N 3.18Å; L120-V123 VanDerWaalsContact O-N 3.15Å |
| 121 | N | 90.8 | Very high | 92.1 | Very high | 167 Ų | 167 | 107.9 Ų | 107.9 | 89% | 0.893 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -121.7 | -171.6 | -52.3 | -39.3 | 0 | 0 | 0 | 111.1 | ||
| 122 | E | 91.3 | Very high | 92.1 | Very high | 196 Ų | 196 | 111.8 Ų | 111.8 | 92% | 0.916 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.6 | -178.8 | -58.5 | -161.3 | 165.4 | 0 | 0 | 114.1 | L120 | L120-E122 PolarHBondContact O-N 2.92Š|
| 123 | V | 91 | Very high | 91.9 | Very high | 85 Ų | 85 | 111 Ų | 111 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.8 | 179.6 | -175 | 0 | 0 | 0 | 0 | 109.7 | C119 L120 F125 | C119-V123 WeakPolarHBondContact CA-O 3.47Å; L120-V123 PolarHBondContact N-O 3.02Å; L120-V123 PolarHBondContact O-N 3.18Å; L120-V123 VanDerWaalsContact O-N 3.15Å; V123-F125 HydrophobicContact CG1-CE2 3.81Å; V123-F125 HydrophobicContact CG1-CZ 3.84Å |
| 124 | C | 92.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 110 Ų | 110 | 31% | 0.311 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.2 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | K117 Q118 C119 Y126 | K117-C124 WeakPolarHBondContact CE-SG 3.38Å; K117-C124 HydrophobicContact CG-CB 4.41Å; Q118-C124 WeakPolarHBondContact O-CA 3.08Å; C119-C124 HydrophobicContact CB-CB 4.15Å; C119-C124 WeakPolarHBondContact CB-SG 3.39Å; C119-C124 WeakPolarHBondContact SG-CB 2.98Å; C119-C124 CovalentContact SG-SG 2.05Å; C119-C124 PolarHBondContact SG-SG 3.02Å; C124-Y126 HydrophobicContact CB-CE2 4.42Å |
| 125 | F | 93.3 | Very high | 90.8 | Very high | 122 Ų | 122 | 107.3 Ų | 107.3 | 54% | 0.535 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.8 | 173.6 | -62.5 | -83.8 | 0 | 0 | 0 | 109.6 | K117 Q118 V123 | K117-F125 WeakPolarHBondContact CA-O 3.3Å; Q118-F125 PolarHBondContact N-O 3.5Å; Q118-F125 PolarHBondContact O-N 3.5Å; V123-F125 HydrophobicContact CG1-CE2 3.81Å; V123-F125 HydrophobicContact CG1-CZ 3.84Å |
| 126 | Y | 93.3 | Very high | 89.9 | Confident | 166 Ų | 166 | 110.4 Ų | 110.4 | 65% | 0.651 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.1 | 172.8 | -68.2 | -93.2 | 0 | 0 | 0 | 108.3 | C116 K117 C124 | C116-Y126 WeakPolarHBondContact O-CA 3.43Å; K117-Y126 HydrophobicContact CB-CD1 4.28Å; K117-Y126 HydrophobicContact CB-CE1 4.13Å; K117-Y126 HydrophobicContact CD-CE1 3.86Å; K117-Y126 HydrophobicContact CG-CD1 4.43Å; K117-Y126 HydrophobicContact CG-CE1 4Å; K117-Y126 PolarHBondContact NZ-OH 3.15Å; C124-Y126 HydrophobicContact CB-CE2 4.42Å |
| 127 | S | 90.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 111.5 Ų | 111.5 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.3 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | P115 C116 | P115-S127 CarbonylContact C-O 3.59Å; P115-S127 WeakPolarHBondContact CA-O 3.43Å; C116-S127 PolarHBondContact N-O 3.04Å; C116-S127 PolarHBondContact O-N 2.93Å |
| 128 | L | 94.9 | Very high | 89.1 | Confident | 126 Ų | 126 | 111.1 Ų | 111.1 | 66% | 0.66 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.8 | 172.6 | -67.5 | 175.4 | 0 | 0 | 0 | 108.2 | P115 | P115-L128 HydrophobicContact CB-CD2 4.06Å |
| 129 | R | 91.2 | Very high | 89 | Confident | 175 Ų | 175 | 106.7 Ų | 106.7 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.1 | 172.6 | -174.2 | 175.5 | 177.9 | -173.4 | -0.9 | 109.1 | K114 | K114-R129 PolarHBondContact N-O 3.15Å; K114-R129 PolarHBondContact O-N 2.69Å |
| 130 | R | 93.4 | Very high | 88.8 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.9 | 169.9 | -174.4 | 173.6 | -72.8 | -146.4 | 1.4 | 109.1 | H113 | H113-R130 PolarHBondContact NE2-NE 3.29Å; H113-R130 PolarHBondContact NE2-NH2 2.93Å |
| 131 | V | 90.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 107.2 Ų | 107.2 | 32% | 0.315 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.3 | 177.6 | -137.8 | 0 | 0 | 0 | 0 | 107.8 | I112 K114 | I112-V131 PolarHBondContact N-O 3.49Å; I112-V131 PolarHBondContact O-N 3.4Å; I112-V131 VanDerWaalsContact O-O 3.14Å; K114-V131 HydrophobicContact CB-CG2 3.37Å; K114-V131 HydrophobicContact CD-CG2 4.37Å; K114-V131 HydrophobicContact CG-CG2 4.49Å |
| 132 | Y | 89.2 | Confident | 88.2 | Confident | 141 Ų | 141 | 102.6 Ų | 102.6 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.4 | 177.1 | -63.2 | -81.7 | 0 | 0 | 0 | 108.8 | L109 Y110 | L109-Y132 HydrophobicContact CD1-CD1 4.33Å; L109-Y132 HydrophobicContact CD1-CG 4.42Å; L109-Y132 HydrophobicContact CD2-CD1 3.82Å; L109-Y132 HydrophobicContact CD2-CE1 4.38Å; L109-Y132 HydrophobicContact CG-CD1 4Å; Y110-Y132 CarbonylContact O-C 3.58Å; Y110-Y132 WeakPolarHBondContact O-CA 3.41Å |
| 133 | V | 87.3 | Confident | 87.7 | Confident | 69 Ų | 69 | 94 Ų | 94 | 42% | 0.418 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.7 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | Y110 I112 | Y110-V133 PolarHBondContact N-O 3.41Å; Y110-V133 PolarHBondContact O-N 3.24Å; I112-V133 HydrophobicContact CD1-CB 3.97Å; I112-V133 HydrophobicContact CD1-CG2 3.59Å; I112-V133 HydrophobicContact CG1-CG2 4.22Å |
| 134 | V | 84.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.5 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | T107 L109 | T107-V134 HydrophobicContact CG2-CG1 3.53Å; L109-V134 HydrophobicContact CD1-CG2 3.71Å |
| 135 | N | 79.1 | Confident | 86.5 | Confident | 77 Ų | 77 | 91.2 Ų | 91.2 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.3 | 166 | -160 | 12.1 | 0 | 0 | 0 | 108.1 | T107 R108 Y110 E137 | T107-N135 WeakPolarHBondContact CA-O 3.09Å; R108-N135 PolarHBondContact N-O 3.49Å; R108-N135 PolarHBondContact O-N 3.38Å; Y110-N135 HydrophobicContact CD2-CB 4.17Å; Y110-N135 HydrophobicContact CE2-CB 3.53Å; N135-E137 HydrophobicContact CB-CG 4.03Å; N135-E137 WeakPolarHBondContact ND2-CG 3.07Å; N135-E137 PolarHBondContact ND2-OE1 3.49Å; N135-E137 PolarHBondContact O-N 2.97Å |
| 136 | K | 75.2 | Confident | 85.5 | Confident | 156 Ų | 156 | 91.8 Ų | 91.8 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 97 | 173.9 | -66.3 | -178 | -178.8 | 178.8 | 0 | 106.5 | ||
| 137 | E | 82.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 28% | 0.276 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 151 | -179.4 | -59.4 | 175.9 | -163.6 | 0 | 0 | 108.3 | C106 Y110 N135 | C106-E137 PolarHBondContact N-O 3.27Å; C106-E137 PolarHBondContact O-N 3.47Å; C106-E137 PolarHBondContact SG-O 3.37Å; Y110-E137 PolarHBondContact OH-OE1 3.13Å; N135-E137 HydrophobicContact CB-CG 4.03Å; N135-E137 WeakPolarHBondContact ND2-CG 3.07Å; N135-E137 PolarHBondContact ND2-OE1 3.49Å; N135-E137 PolarHBondContact O-N 2.97Å |
| 138 | I | 85.3 | Confident | 83.5 | Confident | 118 Ų | 118 | 90.6 Ų | 90.6 | 61% | 0.605 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.8 | 170.6 | -59.6 | 178.6 | 0 | 0 | 0 | 106.9 | Q103 | Q103-I138 HydrophobicContact CB-CG2 3.58Å; Q103-I138 HydrophobicContact CG-CG2 3.77Å |
| 139 | C | 86.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 90 Ų | 90 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 145.6 | 173.4 | -75 | 0 | 0 | 0 | 0 | 109.6 | Q103 Y104 C106 | Q103-C139 CarbonylContact C-O 3.6Å; Q103-C139 WeakPolarHBondContact CA-O 3.48Å; Y104-C139 HydrophobicContact CD1-CB 4.11Å; Y104-C139 VanDerWaalsContact CD1-O 3.31Å; Y104-C139 WeakPolarHBondContact CD1-O 3.34Å; Y104-C139 HydrophobicContact CD2-CB 4.09Å; Y104-C139 HydrophobicContact CE1-CB 3.54Å; Y104-C139 HydrophobicContact CE2-CB 3.55Å; Y104-C139 HydrophobicContact CG-CB 4.36Å; Y104-C139 PolarHBondContact N-O 2.93Å; Y104-C139 PolarHBondContact O-N 3.34Å; Y104-C139 WeakPolarHBondContact OH-CB 3.47Å; C106-C139 HydrophobicContact CB-CB 3.75Å; C106-C139 WeakPolarHBondContact CB-SG 3.34Å; C106-C139 WeakPolarHBondContact SG-CB 3.16Å; C106-C139 PolarHBondContact SG-N 3.04Å; C106-C139 VanDerWaalsContact SG-N 3.35Å; C106-C139 CovalentContact SG-SG 2.03Å; C106-C139 PolarHBondContact SG-SG 2.97Å |
| 140 | V | 89.6 | Confident | 81.4 | Confident | 93 Ų | 93 | 86 Ų | 86 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.8 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 109.8 | Q103 | Q103-V140 HydrophobicContact CG-CG1 3.86Å |
| 141 | R | 85.6 | Confident | 80.5 | Confident | 109 Ų | 109 | 87.9 Ų | 87.9 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.4 | 169.1 | 176.3 | 174.9 | -176.8 | -146.2 | -6 | 109.5 | E102 Y104 E147 | E102-R141 PolarHBondContact N-O 2.83Å; E102-R141 PolarHBondContact O-N 2.04Å; Y104-R141 HydrophobicContact CD1-CB 4.22Å; Y104-R141 HydrophobicContact CE1-CB 3.68Å; R141-E147 IonicContact NH2-OE1 3.63Å; R141-E147 PolarHBondContact NH2-OE1 3.43Å |
| 142 | T | 85.3 | Confident | 79.9 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.2 | 170.2 | -45 | 0 | 0 | 0 | 0 | 109.5 | C99 | C99-T142 HydrophobicContact CB-CG2 3.74Å |
| 143 | V | 81.1 | Confident | 79.2 | Confident | 15 Ų | 15 | 84.6 Ų | 84.6 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.1 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | C99 R100 E102 E148 | C99-V143 CarbonylContact C-O 3.53Å; C99-V143 VanDerWaalsContact CA-O 3.3Å; C99-V143 WeakPolarHBondContact CA-O 3.42Å; R100-V143 PolarHBondContact N-O 2.8Å; R100-V143 PolarHBondContact O-N 2.86Å; E102-V143 HydrophobicContact CB-CG2 4.15Å; E102-V143 HydrophobicContact CG-CB 4.31Å; E102-V143 HydrophobicContact CG-CG2 3.89Å; V143-E148 HydrophobicContact CG1-CG 3.58Å; V143-E148 WeakPolarHBondContact CG1-OE1 3.49Å |
| 144 | C | 82.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 86.4 Ų | 86.4 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.8 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | C99 H146 E147 E148 | C99-C144 HydrophobicContact CB-CB 4.12Å; C99-C144 WeakPolarHBondContact CB-SG 3.38Å; C99-C144 WeakPolarHBondContact SG-CB 3.45Å; C99-C144 CovalentContact SG-SG 2.04Å; C99-C144 PolarHBondContact SG-SG 3.32Å; C144-H146 PolarHBondContact O-N 3.27Å; C144-H146 VanDerWaalsContact O-N 3.15Å; C144-E147 HydrophobicContact CB-CB 4.22Å; C144-E147 WeakPolarHBondContact O-CB 3.3Å; C144-E147 PolarHBondContact O-N 3.04Å; C144-E148 PolarHBondContact O-N 3.48Å |
| 145 | A | 75.9 | Confident | 78.3 | Confident | 45 Ų | 45 | 85.8 Ų | 85.8 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -53.5 | -38.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D98 E148 L149 | D98-A145 HydrophobicContact CB-CB 4.49Å; D98-A145 PolarHBondContact O-N 2.79Å; D98-A145 VanDerWaalsContact O-N 3.15Å; A145-E148 PolarHBondContact O-N 2.86Å; A145-L149 WeakPolarHBondContact O-CB 3.42Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.3Å; A145-L149 PolarHBondContact O-N 2.97Å |
| 146 | H | 72.1 | Confident | 78.2 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 63% | 0.625 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.9 | -37.2 | 176.4 | -171.8 | 70.4 | 0 | 0 | 0 | 113.1 | C144 L150 | C144-H146 PolarHBondContact O-N 3.27Å; C144-H146 VanDerWaalsContact O-N 3.15Å; H146-L150 VanDerWaalsContact O-CB 3.3Å; H146-L150 WeakPolarHBondContact O-CB 3.24Å; H146-L150 PolarHBondContact O-N 2.91Å |
| 147 | E | 71.8 | Confident | 78.2 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 42% | 0.416 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 177.5 | -168.9 | -174.5 | 152 | 0 | 0 | 111 | R141 C144 R151 | R141-E147 IonicContact NH2-OE1 3.63Å; R141-E147 PolarHBondContact NH2-OE1 3.43Å; C144-E147 HydrophobicContact CB-CB 4.22Å; C144-E147 WeakPolarHBondContact O-CB 3.3Å; C144-E147 PolarHBondContact O-N 3.04Å; E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 PolarHBondContact O-N 2.91Å |
| 148 | E | 71.1 | Confident | 77.7 | Confident | 104 Ų | 104 | 89.9 Ų | 89.9 | 49% | 0.486 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 175.3 | -67.6 | -157.6 | 136.4 | 0 | 0 | 112.6 | V143 C144 A145 R151 A152 | V143-E148 HydrophobicContact CG1-CG 3.58Å; V143-E148 WeakPolarHBondContact CG1-OE1 3.49Å; C144-E148 PolarHBondContact O-N 3.48Å; A145-E148 PolarHBondContact O-N 2.86Å; E148-R151 PolarHBondContact O-N 3.28Å; E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.23Å |
| 149 | L | 65.9 | Low | 77.1 | Confident | 113 Ų | 113 | 91.3 Ų | 91.3 | 59% | 0.592 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.3 | -46.6 | 175.6 | -73.9 | 168.3 | 0 | 0 | 0 | 111.2 | A145 R151 A152 D153 | A145-L149 WeakPolarHBondContact O-CB 3.42Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.3Å; A145-L149 PolarHBondContact O-N 2.97Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.92Å; L149-A152 WeakPolarHBondContact O-CB 3.39Å; L149-A152 PolarHBondContact O-N 3.44Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-D153 PolarHBondContact O-N 3.15Å |
| 150 | L | 74.4 | Confident | 76.9 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.2 | -175 | 65.4 | 0 | 0 | 0 | 111.5 | H146 A152 D153 L154 | H146-L150 VanDerWaalsContact O-CB 3.3Å; H146-L150 WeakPolarHBondContact O-CB 3.24Å; H146-L150 PolarHBondContact O-N 2.91Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.08Å; L150-D153 PolarHBondContact O-N 3.31Å; L150-L154 HydrophobicContact CD1-CD1 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.96Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CD1 3.37Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.38Å |
| 151 | R | 75.9 | Confident | 76.5 | Confident | 167 Ų | 167 | 95 Ų | 95 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.8 | -37.3 | 175.2 | -175.2 | 179.2 | -179 | 124.3 | -3.8 | 111.9 | E147 E148 L149 C155 | E147-R151 VanDerWaalsContact O-CB 3.24Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 PolarHBondContact O-N 2.91Å; E148-R151 PolarHBondContact O-N 3.28Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.92Å; R151-C155 VanDerWaalsContact O-CB 3.23Å; R151-C155 WeakPolarHBondContact O-CB 3.42Å; R151-C155 PolarHBondContact O-N 2.87Å |
| 152 | A | 76.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 91.2 Ų | 91.2 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E148 L149 L150 C155 R156 | E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.23Å; L149-A152 WeakPolarHBondContact O-CB 3.39Å; L149-A152 PolarHBondContact O-N 3.44Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.08Å; A152-C155 WeakPolarHBondContact O-CB 3.46Å; A152-C155 PolarHBondContact O-N 2.87Å; A152-R156 WeakPolarHBondContact O-CB 3.47Å; A152-R156 PolarHBondContact O-N 3.48Å |
| 153 | D | 75.8 | Confident | 76.4 | Confident | 67 Ų | 67 | 88.1 Ų | 88.1 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.2 | -77.8 | -37.2 | 0 | 0 | 0 | 111.7 | L149 L150 C155 R156 D157 | L149-D153 PolarHBondContact O-N 3.15Å; L150-D153 PolarHBondContact O-N 3.31Å; D153-C155 VanDerWaalsContact C-N 3.31Å; D153-C155 PolarHBondContact O-N 2.87Å; D153-R156 PolarHBondContact O-N 3.25Å; D153-R156 IonicContact OD1-CZ 2.69Å; D153-R156 VanDerWaalsContact OD1-CZ 3.32Å; D153-R156 IonicContact OD1-NH1 3.32Å; D153-R156 IonicContact OD1-NH2 3.02Å; D153-R156 PolarHBondContact OD1-NH2 2.71Å; D153-D157 WeakPolarHBondContact O-CB 3.23Å; D153-D157 PolarHBondContact O-N 2.91Å |
| 154 | L | 74.1 | Confident | 76.6 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60 | -39 | 173.3 | -82 | 154.4 | 0 | 0 | 0 | 112.4 | L150 K158 | L150-L154 HydrophobicContact CD1-CD1 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.96Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CD1 3.37Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 3.38Å; L154-K158 WeakPolarHBondContact O-CB 3.21Å; L154-K158 PolarHBondContact O-N 3.39Å |
| 155 | C | 77.3 | Confident | 76.6 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | R151 A152 D153 D157 K158 F159 | R151-C155 VanDerWaalsContact O-CB 3.23Å; R151-C155 WeakPolarHBondContact O-CB 3.42Å; R151-C155 PolarHBondContact O-N 2.87Å; A152-C155 WeakPolarHBondContact O-CB 3.46Å; A152-C155 PolarHBondContact O-N 2.87Å; D153-C155 VanDerWaalsContact C-N 3.31Å; D153-C155 PolarHBondContact O-N 2.87Å; C155-D157 VanDerWaalsContact C-N 3.27Å; C155-D157 PolarHBondContact O-N 3.24Å; C155-K158 PolarHBondContact O-N 3Å; C155-F159 VanDerWaalsContact O-CD2 3.26Å; C155-F159 WeakPolarHBondContact O-CD2 3.23Å; C155-F159 PolarHBondContact O-N 2.74Å; C155-F159 VanDerWaalsContact SG-CD2 3.53Å |
| 156 | R | 78.1 | Confident | 76.9 | Confident | 164 Ų | 164 | 91.1 Ų | 91.1 | 62% | 0.619 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.8 | -42.9 | 177.4 | -171 | 177 | 68.2 | -153.5 | -11.2 | 111 | A152 D153 S160 | A152-R156 WeakPolarHBondContact O-CB 3.47Å; A152-R156 PolarHBondContact O-N 3.48Å; D153-R156 PolarHBondContact O-N 3.25Å; D153-R156 IonicContact OD1-CZ 2.69Å; D153-R156 VanDerWaalsContact OD1-CZ 3.32Å; D153-R156 IonicContact OD1-NH1 3.32Å; D153-R156 IonicContact OD1-NH2 3.02Å; D153-R156 PolarHBondContact OD1-NH2 2.71Å; R156-S160 VanDerWaalsContact O-CB 3.23Å; R156-S160 WeakPolarHBondContact O-CB 3.13Å; R156-S160 PolarHBondContact O-N 3.28Å |
| 157 | D | 74.1 | Confident | 77.4 | Confident | 85 Ų | 85 | 89.8 Ų | 89.8 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.1 | -49.4 | 178.1 | -74.4 | -7.8 | 0 | 0 | 0 | 110.9 | D153 C155 F159 S160 G163 | D153-D157 WeakPolarHBondContact O-CB 3.23Å; D153-D157 PolarHBondContact O-N 2.91Å; C155-D157 VanDerWaalsContact C-N 3.27Å; C155-D157 PolarHBondContact O-N 3.24Å; D157-F159 PolarHBondContact O-N 3.32Å; D157-S160 PolarHBondContact O-N 3.35Å; D157-S160 PolarHBondContact O-OG 3.05Å; D157-G163 WeakPolarHBondContact O-CA 3.26Å |
| 158 | K | 73.4 | Confident | 78.1 | Confident | 129 Ų | 129 | 89.2 Ų | 89.2 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.6 | -35.3 | -177.2 | -172 | 174.3 | -176.9 | 179.8 | 0 | 114.2 | L154 C155 V164 | L154-K158 WeakPolarHBondContact O-CB 3.21Å; L154-K158 PolarHBondContact O-N 3.39Å; C155-K158 PolarHBondContact O-N 3Å; K158-V164 WeakPolarHBondContact O-CG2 3.41Å |
| 159 | F | 72.9 | Confident | 78.8 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -99.2 | -2.8 | 179.4 | -63.2 | -72.7 | 0 | 0 | 0 | 114 | C155 D157 | C155-F159 VanDerWaalsContact O-CD2 3.26Å; C155-F159 WeakPolarHBondContact O-CD2 3.23Å; C155-F159 PolarHBondContact O-N 2.74Å; C155-F159 VanDerWaalsContact SG-CD2 3.53Å; D157-F159 PolarHBondContact O-N 3.32Å |
| 160 | S | 81.3 | Confident | 79.8 | Confident | 35 Ų | 35 | 86.1 Ų | 86.1 | 25% | 0.245 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -63.4 | 152.5 | 170.5 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | R156 D157 C162 G163 V164 | R156-S160 VanDerWaalsContact O-CB 3.23Å; R156-S160 WeakPolarHBondContact O-CB 3.13Å; R156-S160 PolarHBondContact O-N 3.28Å; D157-S160 PolarHBondContact O-N 3.35Å; D157-S160 PolarHBondContact O-OG 3.05Å; S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 VanDerWaalsContact O-N 3.12Å; S160-G163 PolarHBondContact O-N 3.24Å; S160-G163 PolarHBondContact OG-N 2.7Å; S160-V164 WeakPolarHBondContact O-CG2 3.21Å; S160-V164 PolarHBondContact O-N 2.96Å |
| 161 | K | 82.4 | Confident | 80.2 | Confident | 172 Ų | 172 | 83.3 Ų | 83.3 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -50.2 | -39.8 | 174.3 | -175.9 | 179 | 178.6 | -178.5 | 0 | 111.8 | M165 | K161-M165 WeakPolarHBondContact O-CB 3.4Å; K161-M165 VanDerWaalsContact O-CG 3.27Å; K161-M165 WeakPolarHBondContact O-CG 3.35Å; K161-M165 PolarHBondContact O-N 3.42Å |
| 162 | C | 84.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 84.5 Ų | 84.5 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.7 | -44.1 | 176.9 | -74.2 | 0 | 0 | 0 | 0 | 113.3 | S160 M165 A166 C178 S181 | S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 VanDerWaalsContact O-N 3.12Å; C162-M165 PolarHBondContact O-N 3.45Å; C162-A166 WeakPolarHBondContact O-CB 3.3Å; C162-A166 PolarHBondContact O-N 2.85Å; C162-C178 WeakPolarHBondContact CA-SG 3.46Å; C162-C178 HydrophobicContact CB-CB 3.42Å; C162-C178 VanDerWaalsContact CB-CB 3.42Å; C162-C178 WeakPolarHBondContact CB-SG 3.38Å; C162-C178 VanDerWaalsContact SG-CA 3.58Å; C162-C178 WeakPolarHBondContact SG-CB 2.91Å; C162-C178 CovalentContact SG-SG 2.03Å; C162-C178 PolarHBondContact SG-SG 3.02Å; C162-S181 WeakPolarHBondContact CB-OG 3.43Å |
| 163 | G | 83.1 | Confident | 80.8 | Confident | 5 Ų | 5 | 86.1 Ų | 86.1 | 5% | 0.052 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -73.9 | -33 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | D157 S160 M165 A166 V167 | D157-G163 WeakPolarHBondContact O-CA 3.26Å; S160-G163 PolarHBondContact O-N 3.24Å; S160-G163 PolarHBondContact OG-N 2.7Å; G163-M165 VanDerWaalsContact C-N 3.3Å; G163-M165 PolarHBondContact O-N 3.27Å; G163-A166 PolarHBondContact O-N 3.32Å; G163-V167 WeakPolarHBondContact O-CB 2.99Å; G163-V167 VanDerWaalsContact O-CG2 3.24Å; G163-V167 WeakPolarHBondContact O-CG2 3.37Å; G163-V167 PolarHBondContact O-N 3.18Å |
| 164 | V | 85 | Confident | 81 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 40% | 0.4 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 170.8 | 175 | 0 | 0 | 0 | 0 | 110.2 | K158 S160 S168 | K158-V164 WeakPolarHBondContact O-CG2 3.41Å; S160-V164 WeakPolarHBondContact O-CG2 3.21Å; S160-V164 PolarHBondContact O-N 2.96Å; V164-S168 WeakPolarHBondContact O-CB 3.24Å; V164-S168 PolarHBondContact O-N 3.41Å; V164-S168 PolarHBondContact O-OG 3.37Å |
| 165 | M | 83 | Confident | 81.1 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 30% | 0.3 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 176.5 | -73.1 | -173.9 | 158.3 | 0 | 0 | 112.5 | K161 C162 G163 G169 L170 V174 | K161-M165 WeakPolarHBondContact O-CB 3.4Å; K161-M165 VanDerWaalsContact O-CG 3.27Å; K161-M165 WeakPolarHBondContact O-CG 3.35Å; K161-M165 PolarHBondContact O-N 3.42Å; C162-M165 PolarHBondContact O-N 3.45Å; G163-M165 VanDerWaalsContact C-N 3.3Å; G163-M165 PolarHBondContact O-N 3.27Å; M165-G169 PolarHBondContact O-N 3.04Å; M165-L170 HydrophobicContact CB-CB 4.28Å; M165-L170 WeakPolarHBondContact O-CA 3.04Å; M165-L170 WeakPolarHBondContact O-CB 3.27Å; M165-L170 PolarHBondContact O-N 3.2Å; M165-V174 HydrophobicContact CB-CG2 3.93Å; M165-V174 HydrophobicContact SD-CG1 3.49Å; M165-V174 WeakPolarHBondContact SD-CG1 3.4Å |
| 166 | A | 82.4 | Confident | 81.3 | Confident | 23 Ų | 23 | 83.1 Ų | 83.1 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C162 G163 S168 G169 C171 S181 | C162-A166 WeakPolarHBondContact O-CB 3.3Å; C162-A166 PolarHBondContact O-N 2.85Å; G163-A166 PolarHBondContact O-N 3.32Å; A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 3.39Å; A166-G169 PolarHBondContact O-N 2.92Å; A166-C171 VanDerWaalsContact CA-SG 3.55Å; A166-C171 VanDerWaalsContact CB-SG 3.59Å; A166-S181 VanDerWaalsContact CB-O 3.3Å; A166-S181 WeakPolarHBondContact CB-O 3.42Å |
| 167 | V | 82.9 | Confident | 81.4 | Confident | 107 Ų | 107 | 79.7 Ų | 79.7 | 65% | 0.648 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68 | -30.1 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | G163 G169 | G163-V167 WeakPolarHBondContact O-CB 2.99Å; G163-V167 VanDerWaalsContact O-CG2 3.24Å; G163-V167 WeakPolarHBondContact O-CG2 3.37Å; G163-V167 PolarHBondContact O-N 3.18Å; V167-G169 PolarHBondContact O-N 3.12Å |
| 168 | S | 86.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 54% | 0.538 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | V164 A166 L170 | V164-S168 WeakPolarHBondContact O-CB 3.24Å; V164-S168 PolarHBondContact O-N 3.41Å; V164-S168 PolarHBondContact O-OG 3.37Å; A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 3.39Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 2.85Å |
| 169 | G | 85.9 | Confident | 82.2 | Confident | 65 Ų | 65 | 72.1 Ų | 72.1 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 12.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | M165 A166 V167 C171 | M165-G169 PolarHBondContact O-N 3.04Å; A166-G169 PolarHBondContact O-N 2.92Å; V167-G169 PolarHBondContact O-N 3.12Å; G169-C171 VanDerWaalsContact C-N 3.27Å; G169-C171 PolarHBondContact O-N 3.39Å |
| 170 | L | 86.3 | Confident | 82.6 | Confident | 87 Ų | 87 | 76 Ų | 76 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | trans | -88.2 | 12.5 | 179.9 | -75.3 | 152.6 | 0 | 0 | 0 | 112.8 | M165 S168 Q172 S173 V174 | M165-L170 HydrophobicContact CB-CB 4.28Å; M165-L170 WeakPolarHBondContact O-CA 3.04Å; M165-L170 WeakPolarHBondContact O-CB 3.27Å; M165-L170 PolarHBondContact O-N 3.2Å; S168-L170 VanDerWaalsContact C-N 3.29Å; S168-L170 PolarHBondContact O-N 2.85Å; L170-Q172 PolarHBondContact O-N 3.26Å; L170-S173 PolarHBondContact O-N 3.22Å; L170-S173 PolarHBondContact O-OG 3.14Å; L170-V174 PolarHBondContact O-N 2.86Å | ||
| 171 | C | 83.5 | Confident | 82.6 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 22% | 0.223 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -52.9 | -32 | -176.9 | -96.5 | 0 | 0 | 0 | 0 | 114.4 | A166 G169 S173 V174 A175 C182 | A166-C171 VanDerWaalsContact CA-SG 3.55Å; A166-C171 VanDerWaalsContact CB-SG 3.59Å; G169-C171 VanDerWaalsContact C-N 3.27Å; G169-C171 PolarHBondContact O-N 3.39Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.31Å; C171-V174 CarbonylContact O-C 3.6Å; C171-V174 PolarHBondContact O-N 2.82Å; C171-A175 WeakPolarHBondContact O-CA 3.39Å; C171-A175 VanDerWaalsContact O-CB 3.25Å; C171-A175 WeakPolarHBondContact O-CB 3.46Å; C171-A175 PolarHBondContact O-N 3.17Å; C171-C182 WeakPolarHBondContact CA-SG 3.49Å; C171-C182 HydrophobicContact CB-CB 3.89Å; C171-C182 WeakPolarHBondContact CB-SG 3.39Å; C171-C182 WeakPolarHBondContact SG-CA 3.48Å; C171-C182 WeakPolarHBondContact SG-CB 3.25Å; C171-C182 CovalentContact SG-SG 2.02Å; C171-C182 PolarHBondContact SG-SG 3.08Å |
| 172 | Q | 82.4 | Confident | 82.7 | Confident | 192 Ų | 192 | 70 Ų | 70 | 90% | 0.897 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.4 | -30.5 | 179.6 | -66.4 | -164.2 | -15.4 | 0 | 0 | 113.7 | L170 | L170-Q172 PolarHBondContact O-N 3.26Å |
| 173 | S | 81.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -84.7 | -19.6 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 113 | L170 C171 | L170-S173 PolarHBondContact O-N 3.22Å; L170-S173 PolarHBondContact O-OG 3.14Å; C171-S173 VanDerWaalsContact C-N 3.32Å; C171-S173 PolarHBondContact O-N 3.31Å |
| 174 | V | 81.1 | Confident | 82.1 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 10% | 0.097 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -117.4 | 5.6 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | M165 L170 C171 A176 S177 C178 | M165-V174 HydrophobicContact CB-CG2 3.93Å; M165-V174 HydrophobicContact SD-CG1 3.49Å; M165-V174 WeakPolarHBondContact SD-CG1 3.4Å; L170-V174 PolarHBondContact O-N 2.86Å; C171-V174 CarbonylContact O-C 3.6Å; C171-V174 PolarHBondContact O-N 2.82Å; V174-A176 PolarHBondContact O-N 2.02Å; V174-A176 VanDerWaalsContact O-N 3.08Å; V174-S177 PolarHBondContact O-N 3.43Å; V174-S177 PolarHBondContact O-OG 2.93Å; V174-C178 HydrophobicContact CB-CB 4.1Å; V174-C178 HydrophobicContact CG2-CB 3.96Å; V174-C178 WeakPolarHBondContact O-CB 3.33Å; V174-C178 PolarHBondContact O-N 3.5Å |
| 175 | A | 76.4 | Confident | 81.2 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C171 A179 | C171-A175 WeakPolarHBondContact O-CA 3.39Å; C171-A175 VanDerWaalsContact O-CB 3.25Å; C171-A175 WeakPolarHBondContact O-CB 3.46Å; C171-A175 PolarHBondContact O-N 3.17Å; A175-A179 WeakPolarHBondContact O-CA 3.34Å; A175-A179 WeakPolarHBondContact O-CB 3.03Å; A175-A179 PolarHBondContact O-N 2.9Å |
| 176 | A | 80 | Confident | 81.2 | Confident | 109 Ų | 109 | 80.7 Ų | 80.7 | 90% | 0.901 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V174 | V174-A176 PolarHBondContact O-N 2.02Å; V174-A176 VanDerWaalsContact O-N 3.08Å |
| 177 | S | 80.9 | Confident | 81.1 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -17.8 | -178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | V174 | V174-S177 PolarHBondContact O-N 3.43Å; V174-S177 PolarHBondContact O-OG 2.93Å |
| 178 | C | 82.1 | Confident | 81 | Confident | 9 Ų | 9 | 82.4 Ų | 82.4 | 6% | 0.061 | 54% | 0.543 | C | S | . | . | trans | -131.5 | 32.4 | -172.1 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | C162 V174 R180 S181 C182 | C162-C178 WeakPolarHBondContact CA-SG 3.46Å; C162-C178 HydrophobicContact CB-CB 3.42Å; C162-C178 VanDerWaalsContact CB-CB 3.42Å; C162-C178 WeakPolarHBondContact CB-SG 3.38Å; C162-C178 VanDerWaalsContact SG-CA 3.58Å; C162-C178 WeakPolarHBondContact SG-CB 2.91Å; C162-C178 CovalentContact SG-SG 2.03Å; C162-C178 PolarHBondContact SG-SG 3.02Å; V174-C178 HydrophobicContact CB-CB 4.1Å; V174-C178 HydrophobicContact CG2-CB 3.96Å; V174-C178 WeakPolarHBondContact O-CB 3.33Å; V174-C178 PolarHBondContact O-N 3.5Å; C178-R180 VanDerWaalsContact C-N 3.32Å; C178-R180 PolarHBondContact O-N 3.39Å; C178-S181 PolarHBondContact O-N 3.21Å; C178-C182 PolarHBondContact O-N 3.01Å; C178-C182 VanDerWaalsContact O-N 3.14Å | ||
| 179 | A | 81.7 | Confident | 80.7 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -46 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A175 C182 G183 G184 | A175-A179 WeakPolarHBondContact O-CA 3.34Å; A175-A179 WeakPolarHBondContact O-CB 3.03Å; A175-A179 PolarHBondContact O-N 2.9Å; A179-C182 CarbonylContact O-C 3.56Å; A179-C182 PolarHBondContact O-N 2.97Å; A179-C182 VanDerWaalsContact O-N 3.17Å; A179-G183 PolarHBondContact O-N 2.8Å; A179-G184 WeakPolarHBondContact O-CA 3.32Å; A179-G184 PolarHBondContact O-N 3.35Å |
| 180 | R | 80.6 | Confident | 80.3 | Confident | 229 Ų | 229 | 83.8 Ų | 83.8 | 86% | 0.864 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -46.6 | 179.2 | -81.6 | -174.7 | 171.5 | 166.5 | -2.8 | 113.4 | C178 C182 G183 | C178-R180 VanDerWaalsContact C-N 3.32Å; C178-R180 PolarHBondContact O-N 3.39Å; R180-C182 PolarHBondContact O-N 2.79Å; R180-G183 PolarHBondContact O-N 2.03Å |
| 181 | S | 81.8 | Confident | 79.9 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.1 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | C162 A166 C178 | C162-S181 WeakPolarHBondContact CB-OG 3.43Å; A166-S181 VanDerWaalsContact CB-O 3.3Å; A166-S181 WeakPolarHBondContact CB-O 3.42Å; C178-S181 PolarHBondContact O-N 3.21Å |
| 182 | C | 84.3 | Confident | 79.7 | Confident | 40 Ų | 40 | 87.2 Ų | 87.2 | 27% | 0.27 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | 6.6 | 177.6 | -73.5 | 0 | 0 | 0 | 0 | 114.4 | C171 C178 A179 R180 G184 | C171-C182 WeakPolarHBondContact CA-SG 3.49Å; C171-C182 HydrophobicContact CB-CB 3.89Å; C171-C182 WeakPolarHBondContact CB-SG 3.39Å; C171-C182 WeakPolarHBondContact SG-CA 3.48Å; C171-C182 WeakPolarHBondContact SG-CB 3.25Å; C171-C182 CovalentContact SG-SG 2.02Å; C171-C182 PolarHBondContact SG-SG 3.08Å; C178-C182 PolarHBondContact O-N 3.01Å; C178-C182 VanDerWaalsContact O-N 3.14Å; A179-C182 CarbonylContact O-C 3.56Å; A179-C182 PolarHBondContact O-N 2.97Å; A179-C182 VanDerWaalsContact O-N 3.17Å; R180-C182 PolarHBondContact O-N 2.79Å; C182-G184 VanDerWaalsContact C-N 3.35Å |
| 183 | G | 78.4 | Confident | 79.5 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 16.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A179 R180 | A179-G183 PolarHBondContact O-N 2.8Å; R180-G183 PolarHBondContact O-N 2.03Å |
| 184 | G | 77.4 | Confident | 79.3 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 38% | 0.381 | 53% | 0.53 | S | S | . | . | trans | -71.5 | 134.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A179 C182 | A179-G184 WeakPolarHBondContact O-CA 3.32Å; A179-G184 PolarHBondContact O-N 3.35Å; C182-G184 VanDerWaalsContact C-N 3.35Å | ||
| 185 | C | 66.8 | Low | 79.1 | Confident | 201 Ų | 201 | 83.8 Ų | 83.8 | 100% | 1.358 | 57% | 0.569 | S | S | * | * | trans | -74.4 | 0 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 185 of 185 residues in 23.3 ms
(Link to these results)