| 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 | S | 43.3 | Very low | 51 | Low | 177 Ų | 177 | 115.3 Ų | 115.3 | 100% | 1.238 | 76% | 0.762 | S | S | * | * | 0 | 116.9 | 0 | 34 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 2 | S | 41.7 | Very low | 51.6 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | cis | -163 | 125.5 | 36.6 | -166.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | C | 42.9 | Very low | 52 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | -148 | 80.4 | 171.2 | -114.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | C | 48.7 | Very low | 52.7 | Low | 131 Ų | 131 | 117.4 Ų | 117.4 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | trans | 176.8 | 82 | 163.8 | -97.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 5 | A | 51.6 | Low | 53.1 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -164 | 65.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | S | 53.8 | Low | 53.7 | Low | 98 Ų | 98 | 112.8 Ų | 112.8 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -158.3 | 2.9 | 159.6 | 94.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 7 | A | 53.1 | Low | 54.3 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -90.3 | -10.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 8 | V | 55.3 | Low | 54.7 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.3 | -38.8 | -173.2 | -173.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | P | 55.4 | Low | 54.8 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 51% | 0.513 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -77.4 | -26.6 | -175.3 | 27.9 | -30.4 | 0 | 0 | 0 | 113.6 | Q13 | P9-Q13 PolarHBondContact O-N 3.47Å |
| 10 | I | 57.6 | Low | 54.6 | Low | 104 Ų | 104 | 110.3 Ų | 110.3 | 53% | 0.533 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -75.2 | -38.4 | -177.2 | -57.2 | 172.6 | 0 | 0 | 0 | 110.9 | L12 Q13 M14 | I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; I10-Q13 PolarHBondContact O-N 3.42Å; I10-M14 WeakPolarHBondContact O-CG 3.32Å; I10-M14 PolarHBondContact O-N 3.41Å; I10-M14 VanDerWaalsContact O-N 3.1Å |
| 11 | M | 58.2 | Low | 54.2 | Low | 140 Ų | 140 | 110.3 Ų | 110.3 | 69% | 0.69 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.3 | -34.7 | 176.5 | -70 | -67.6 | -99.8 | 0 | 0 | 112.1 | C15 | M11-C15 PolarHBondContact O-N 3.39Å |
| 12 | L | 58.2 | Low | 54.6 | Low | 128 Ų | 128 | 105.4 Ų | 105.4 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.2 | -39.3 | 178.1 | -152 | 78.1 | 0 | 0 | 0 | 111.8 | I10 C15 V16 | I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; L12-C15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.48Å |
| 13 | Q | 56.8 | Low | 54.8 | Low | 136 Ų | 136 | 103.1 Ų | 103.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.2 | -38.6 | 175.1 | -86.4 | 178.8 | -52.1 | 0 | 0 | 112.7 | P9 I10 V16 I17 | P9-Q13 PolarHBondContact O-N 3.47Å; I10-Q13 PolarHBondContact O-N 3.42Å; Q13-V16 PolarHBondContact O-N 3.45Å; Q13-I17 WeakPolarHBondContact O-CG1 2.94Å; Q13-I17 PolarHBondContact O-N 3.45Å |
| 14 | M | 61.6 | Low | 55 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.9 | -39 | 176.8 | -72.1 | -64.2 | -154 | 0 | 0 | 112.4 | I10 V16 I17 I18 | I10-M14 WeakPolarHBondContact O-CG 3.32Å; I10-M14 PolarHBondContact O-N 3.41Å; I10-M14 VanDerWaalsContact O-N 3.1Å; M14-V16 PolarHBondContact O-N 3.46Å; M14-I17 PolarHBondContact O-N 3.48Å; M14-I18 WeakPolarHBondContact O-CD1 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.24Å |
| 15 | C | 58.9 | Low | 54.8 | Low | 78 Ų | 78 | 101.9 Ų | 101.9 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -38.3 | 175.6 | -82.1 | 0 | 0 | 0 | 0 | 113 | M11 L12 I18 C19 | M11-C15 PolarHBondContact O-N 3.39Å; L12-C15 PolarHBondContact O-N 3.48Å; C15-I18 PolarHBondContact O-N 3.36Å; C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 3.22Å; C15-C19 PolarHBondContact O-SG 3.24Å; C15-C19 VanDerWaalsContact O-SG 3.34Å |
| 16 | V | 63 | Low | 54.4 | Low | 83 Ų | 83 | 102.4 Ų | 102.4 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.6 | -37.5 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | L12 Q13 M14 C19 L20 | L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.48Å; Q13-V16 PolarHBondContact O-N 3.45Å; M14-V16 PolarHBondContact O-N 3.46Å; V16-C19 PolarHBondContact O-N 3Å; V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 WeakPolarHBondContact O-CB 3.5Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.43Å |
| 17 | I | 62.8 | Low | 53.9 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -39.9 | 177 | -66.7 | 168.2 | 0 | 0 | 0 | 111.1 | Q13 M14 L20 L21 | Q13-I17 WeakPolarHBondContact O-CG1 2.94Å; Q13-I17 PolarHBondContact O-N 3.45Å; M14-I17 PolarHBondContact O-N 3.48Å; I17-L20 PolarHBondContact O-N 2.97Å; I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 PolarHBondContact O-N 3.13Å |
| 18 | I | 61.8 | Low | 53.1 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.3 | -42.1 | 176 | -68 | 165.7 | 0 | 0 | 0 | 111.1 | M14 C15 L20 L21 S22 | M14-I18 WeakPolarHBondContact O-CD1 3.44Å; M14-I18 VanDerWaalsContact O-CG1 3.28Å; M14-I18 WeakPolarHBondContact O-CG1 3.45Å; M14-I18 PolarHBondContact O-N 3.24Å; C15-I18 PolarHBondContact O-N 3.36Å; I18-L20 PolarHBondContact O-N 3.27Å; I18-L21 PolarHBondContact O-N 3.13Å; I18-S22 PolarHBondContact O-N 2.66Å; I18-S22 VanDerWaalsContact O-N 3.16Å; I18-S22 PolarHBondContact O-OG 2.81Å; I18-S22 VanDerWaalsContact O-OG 3.12Å |
| 19 | C | 55.9 | Low | 52.3 | Low | 84 Ų | 84 | 107.1 Ų | 107.1 | 57% | 0.568 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 176.6 | -74.4 | 0 | 0 | 0 | 0 | 113.1 | C15 V16 S22 | C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 3.22Å; C15-C19 PolarHBondContact O-SG 3.24Å; C15-C19 VanDerWaalsContact O-SG 3.34Å; V16-C19 PolarHBondContact O-N 3Å; C19-S22 WeakPolarHBondContact CA-OG 3.49Å; C19-S22 PolarHBondContact O-OG 2.82Å |
| 20 | L | 51.6 | Low | 51.4 | Low | 113 Ų | 113 | 110.1 Ų | 110.1 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.8 | -32.7 | 178 | -72.6 | 168.5 | 0 | 0 | 0 | 112.4 | V16 I17 I18 A23 | V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 WeakPolarHBondContact O-CB 3.5Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 3.43Å; I17-L20 PolarHBondContact O-N 2.97Å; I18-L20 PolarHBondContact O-N 3.27Å; L20-A23 PolarHBondContact O-N 3.07Å |
| 21 | L | 47.2 | Very low | 50.4 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.9 | -33.4 | 175 | -83 | 157.1 | 0 | 0 | 0 | 112.8 | I17 I18 A23 V24 | I17-L21 HydrophobicContact CG2-CD1 3.89Å; I17-L21 PolarHBondContact O-N 3.13Å; I18-L21 PolarHBondContact O-N 3.13Å; L21-A23 PolarHBondContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3.06Å |
| 22 | S | 50.9 | Low | 49.3 | Very low | 74 Ų | 74 | 108.5 Ų | 108.5 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.7 | -19.9 | 173 | 43.2 | 0 | 0 | 0 | 0 | 114.2 | I18 C19 | I18-S22 PolarHBondContact O-N 2.66Å; I18-S22 VanDerWaalsContact O-N 3.16Å; I18-S22 PolarHBondContact O-OG 2.81Å; I18-S22 VanDerWaalsContact O-OG 3.12Å; C19-S22 WeakPolarHBondContact CA-OG 3.49Å; C19-S22 PolarHBondContact O-OG 2.82Å |
| 23 | A | 46.2 | Very low | 48.3 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -17.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L20 L21 | L20-A23 PolarHBondContact O-N 3.07Å; L21-A23 PolarHBondContact O-N 3.16Å |
| 24 | V | 47.1 | Very low | 47.4 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -17.3 | -174.6 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | L21 | L21-V24 PolarHBondContact O-N 3.06Š|
| 25 | V | 44.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11.9 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 113.9 | Q27 | V25-Q27 PolarHBondContact O-N 3.41Š|
| 26 | S | 42.3 | Very low | 44.9 | Very low | 111 Ų | 111 | 114.7 Ų | 114.7 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 4.8 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 115 | ||
| 27 | Q | 44.8 | Very low | 43.7 | Very low | 178 Ų | 178 | 120.6 Ų | 120.6 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | trans | -102.1 | 72.3 | 174.3 | -66 | -173.5 | 34 | 0 | 0 | 110.9 | V25 | V25-Q27 PolarHBondContact O-N 3.41Š| ||
| 28 | S | 35.4 | Very low | 42.7 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -153.1 | 115.3 | 157.6 | -166.4 | 0 | 0 | 0 | 0 | 111 | ||
| 29 | T | 38.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | 57.3 | 97.6 | 152.9 | 63.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 30 | N | 35.2 | Very low | 41 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | -160.2 | 82.9 | 121.1 | -124.5 | -27.3 | 0 | 0 | 0 | 111.9 | S32 | N30-S32 PolarHBondContact O-N 3.33Å; N30-S32 PolarHBondContact OD1-OG 3.4Å | |||
| 31 | S | 38.4 | Very low | 40.8 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 88% | 0.881 | 72% | 0.716 | S | S | * | * | trans | -70.7 | 78.3 | 156.7 | 176.8 | 0 | 0 | 0 | 0 | 108 | S33 | S31-S33 PolarHBondContact O-N 2.88Š| ||
| 32 | S | 33.5 | Very low | 40.6 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | trans | -92 | 90.1 | 166.8 | -75.3 | 0 | 0 | 0 | 0 | 107.5 | N30 K34 | N30-S32 PolarHBondContact O-N 3.33Å; N30-S32 PolarHBondContact OD1-OG 3.4Å; S32-K34 PolarHBondContact O-N 3.16Å | ||
| 33 | S | 37.5 | Very low | 40.6 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | -37 | 108.6 | 164.7 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | S31 R35 | S31-S33 PolarHBondContact O-N 2.88Å; S33-R35 PolarHBondContact O-N 2.95Å | ||
| 34 | K | 37.3 | Very low | 40.8 | Very low | 210 Ų | 210 | 130.9 Ų | 130.9 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | trans | -66.8 | 84.8 | 163.8 | -79 | -173.9 | -179.9 | 179.7 | 0 | 106.3 | S32 G36 | S32-K34 PolarHBondContact O-N 3.16Å; K34-G36 PolarHBondContact O-N 2.87Å | ||
| 35 | R | 34.4 | Very low | 40.7 | Very low | 219 Ų | 219 | 132.9 Ų | 132.9 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -59.3 | 93.8 | 162 | -120.1 | -178.1 | -83.7 | -172.4 | -5.7 | 105.4 | S33 R37 | S33-R35 PolarHBondContact O-N 2.95Å; R35-R37 PolarHBondContact O-N 2.93Å | ||
| 36 | G | 34.1 | Very low | 40.7 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | trans | -51.6 | 112.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | K34 N38 | K34-G36 PolarHBondContact O-N 2.87Å; G36-N38 PolarHBondContact O-N 3.27Å | ||
| 37 | R | 39 | Very low | 40.7 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -68.3 | 89.5 | 167.3 | -70 | -176.2 | -177.7 | 177.3 | 0.5 | 104.8 | R35 F39 | R35-R37 PolarHBondContact O-N 2.93Å; R37-F39 HydrophobicContact CB-CD2 4.07Å; R37-F39 HydrophobicContact CB-CE2 3.75Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; R37-F39 WeakPolarHBondContact O-CD2 3.35Å; R37-F39 PolarHBondContact O-N 3.5Å | ||
| 38 | N | 40.4 | Very low | 40.8 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -57.6 | 101.9 | 153 | -79.7 | -5.3 | 0 | 0 | 0 | 104.1 | G36 P40 | G36-N38 PolarHBondContact O-N 3.27Å; N38-P40 WeakPolarHBondContact O-CD 3.45Å | ||
| 39 | F | 39.3 | Very low | 41.4 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 69% | 0.689 | 73% | 0.725 | S | S | * | * | trans | -76.8 | 103.1 | 158.3 | -71.9 | -85 | 0 | 0 | 0 | 104.7 | R37 I41 | R37-F39 HydrophobicContact CB-CD2 4.07Å; R37-F39 HydrophobicContact CB-CE2 3.75Å; R37-F39 HydrophobicContact CB-CZ 4.3Å; R37-F39 WeakPolarHBondContact O-CD2 3.35Å; R37-F39 PolarHBondContact O-N 3.5Å; F39-I41 VanDerWaalsContact C-N 3.29Å; F39-I41 PolarHBondContact O-N 3.29Å | ||
| 40 | P | 43.5 | Very low | 41.6 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -62.5 | 104.1 | 161.4 | 27.4 | -31.8 | 0 | 0 | 0 | 105.3 | N38 H42 | N38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-H42 VanDerWaalsContact C-N 3.26Å; P40-H42 PolarHBondContact O-N 3.21Å | ||
| 41 | I | 47.3 | Very low | 42.2 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | trans | -63.8 | 101.2 | 167.4 | -61.4 | 178.4 | 0 | 0 | 0 | 104.5 | F39 S43 | F39-I41 VanDerWaalsContact C-N 3.29Å; F39-I41 PolarHBondContact O-N 3.29Å; I41-S43 PolarHBondContact O-N 3.38Å | ||
| 42 | H | 43.6 | Very low | 42.5 | Very low | 134 Ų | 134 | 128 Ų | 128 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -68.1 | 121.3 | 174.9 | -158 | -104.5 | 0 | 0 | 0 | 106.3 | P40 S44 Q45 | P40-H42 VanDerWaalsContact C-N 3.26Å; P40-H42 PolarHBondContact O-N 3.21Å; H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-OG 3.03Å; H42-S44 PolarHBondContact O-N 2.98Å; H42-Q45 PolarHBondContact O-N 3.38Å | ||
| 43 | S | 50 | Low | 43.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -48.6 | -20.5 | -177.9 | -172 | 0 | 0 | 0 | 0 | 113.5 | I41 Q45 | I41-S43 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 3.35Å; S43-Q45 VanDerWaalsContact O-N 3.16Å |
| 44 | S | 51 | Low | 44.2 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -68.1 | -3.2 | 176.3 | 70 | 0 | 0 | 0 | 0 | 116.2 | H42 | H42-S44 WeakPolarHBondContact ND1-CB 3.49Å; H42-S44 PolarHBondContact ND1-OG 3.03Å; H42-S44 PolarHBondContact O-N 2.98Å |
| 45 | Q | 43.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -96.6 | -1.8 | 178.6 | -81.2 | -176.6 | -15.6 | 0 | 0 | 114.8 | H42 S43 | H42-Q45 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 3.35Å; S43-Q45 VanDerWaalsContact O-N 3.16Å |
| 46 | L | 44.6 | Very low | 45.5 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -107.8 | 85.9 | 171.1 | -67 | 169.1 | 0 | 0 | 0 | 108.6 | C48 | L46-C48 PolarHBondContact O-N 3.42Å; L46-C48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | V | 42.2 | Very low | 46.7 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -76.6 | 98.9 | 170.2 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 48 | C | 47.4 | Very low | 47.5 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | trans | -76.3 | 125.4 | 170.4 | -151.9 | 0 | 0 | 0 | 0 | 108.5 | L46 L50 | L46-C48 PolarHBondContact O-N 3.42Å; L46-C48 VanDerWaalsContact O-N 3.13Å; C48-L50 PolarHBondContact O-N 2.93Å | ||
| 49 | S | 48.4 | Very low | 48.3 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 24.4 | -173.2 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | L | 42.6 | Very low | 49.4 | Very low | 141 Ų | 141 | 114.8 Ų | 114.8 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -85 | 124.9 | 179.8 | -81 | 155 | 0 | 0 | 0 | 110 | C48 G52 | C48-L50 PolarHBondContact O-N 2.93Å; L50-G52 PolarHBondContact O-N 3.29Å |
| 51 | P | 47 | Very low | 50 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.2 | 173.6 | -21.8 | 32.2 | 0 | 0 | 0 | 110.9 | ||
| 52 | G | 46.4 | Very low | 50.7 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 56% | 0.557 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 161.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L50 | L50-G52 PolarHBondContact O-N 3.29Š|
| 53 | P | 47.9 | Very low | 51.6 | Low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.8 | 175.3 | 26.8 | -33.9 | 0 | 0 | 0 | 110.9 | G55 | P53-G55 PolarHBondContact O-N 3.42Š|
| 54 | T | 57.4 | Low | 52 | Low | 144 Ų | 144 | 105 Ų | 105 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 126.7 | 175 | -49.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 55 | G | 50.1 | Low | 52.6 | Low | 39 Ų | 39 | 106.1 Ų | 106.1 | 40% | 0.402 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 159.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P53 | P53-G55 PolarHBondContact O-N 3.42Š|
| 56 | P | 49.8 | Very low | 53.5 | Low | 114 Ų | 114 | 104.8 Ų | 104.8 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 151.6 | 179.4 | 26 | -33.9 | 0 | 0 | 0 | 111.5 | G58 | P56-G58 PolarHBondContact O-N 3.1Š|
| 57 | P | 60 | Low | 54.2 | Low | 129 Ų | 129 | 100.3 Ų | 100.3 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.3 | 172.8 | -24.3 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 58 | G | 55.5 | Low | 55 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 41% | 0.412 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -60 | 155.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P56 | P56-G58 PolarHBondContact O-N 3.1Š|
| 59 | F | 57.4 | Low | 55.7 | Low | 189 Ų | 189 | 103.3 Ų | 103.3 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 145.9 | 178.5 | -69.3 | -77.8 | 0 | 0 | 0 | 111.5 | G61 | F59-G61 PolarHBondContact O-N 2.94Š|
| 60 | P | 61.8 | Low | 56.2 | Low | 123 Ų | 123 | 99 Ų | 99 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.9 | 171.5 | -23.5 | 33.4 | 0 | 0 | 0 | 111.3 | ||
| 61 | G | 56.5 | Low | 57.2 | Low | 36 Ų | 36 | 97.7 Ų | 97.7 | 37% | 0.371 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 150.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F59 | F59-G61 PolarHBondContact O-N 2.94Š|
| 62 | A | 61.2 | Low | 57.9 | Low | 79 Ų | 79 | 100.9 Ų | 100.9 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 147 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G64 | A62-G64 PolarHBondContact O-N 3.17Š|
| 63 | P | 62.5 | Low | 58.6 | Low | 127 Ų | 127 | 99.7 Ų | 99.7 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137.2 | 173.4 | -23.9 | 33.7 | 0 | 0 | 0 | 111.8 | ||
| 64 | G | 59.3 | Low | 59.4 | Low | 31 Ų | 31 | 98.6 Ų | 98.6 | 32% | 0.32 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 153.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A62 | A62-G64 PolarHBondContact O-N 3.17Š|
| 65 | P | 62.3 | Low | 59.7 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 150.8 | -179.8 | 26.2 | -34.1 | 0 | 0 | 0 | 112 | ||
| 66 | P | 63.6 | Low | 60.2 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 83% | 0.831 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143.7 | 174.3 | -24 | 33.4 | 0 | 0 | 0 | 112.5 | ||
| 67 | G | 58 | Low | 60.8 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 43% | 0.433 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 147.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 68 | S | 60.1 | Low | 61 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.4 | 177.5 | 57 | 0 | 0 | 0 | 0 | 112 | ||
| 69 | M | 62.2 | Low | 61.2 | Low | 187 Ų | 187 | 102.1 Ų | 102.1 | 92% | 0.921 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.9 | 172.7 | -173.7 | 165.8 | 61.8 | 0 | 0 | 110.8 | ||
| 70 | G | 58 | Low | 61.3 | Low | 27 Ų | 27 | 99.3 Ų | 99.3 | 28% | 0.278 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 155.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 71 | P | 64.3 | Low | 61.4 | Low | 114 Ų | 114 | 101.1 Ų | 101.1 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.7 | 177.8 | 27.6 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 72 | M | 62.4 | Low | 61.5 | Low | 186 Ų | 186 | 102.6 Ų | 102.6 | 92% | 0.916 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.6 | 173.9 | -172.6 | 169.7 | 67.5 | 0 | 0 | 110.2 | ||
| 73 | G | 60 | Low | 61.4 | Low | 29 Ų | 29 | 108.6 Ų | 108.6 | 30% | 0.299 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -63 | 154.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 74 | P | 64.7 | Low | 61.4 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 69% | 0.688 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64 | 154.1 | 178.7 | 27.2 | -34 | 0 | 0 | 0 | 111.9 | ||
| 75 | P | 64 | Low | 61.3 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 147.8 | 171.8 | -22.7 | 33.3 | 0 | 0 | 0 | 112.1 | ||
| 76 | G | 60.7 | Low | 61 | Low | 43 Ų | 43 | 116.9 Ų | 116.9 | 44% | 0.443 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 147.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 77 | L | 61.5 | Low | 60.8 | Low | 161 Ų | 161 | 120.6 Ų | 120.6 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146 | 176.3 | -65.7 | 168.9 | 0 | 0 | 0 | 110.8 | ||
| 78 | D | 64.8 | Low | 60.7 | Low | 164 Ų | 164 | 121.9 Ų | 121.9 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.3 | 173.5 | -69.3 | -36.3 | 0 | 0 | 0 | 110.8 | ||
| 79 | G | 59.8 | Low | 60.5 | Low | 46 Ų | 46 | 126.6 Ų | 126.6 | 47% | 0.474 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 149.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 80 | P | 60.2 | Low | 60.1 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.4 | 176.2 | 26.6 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 81 | D | 64.3 | Low | 59.9 | Low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 140.9 | 176.9 | -69.6 | -36 | 0 | 0 | 0 | 111.5 | ||
| 82 | G | 58.4 | Low | 59.3 | Low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 83 | K | 58.8 | Low | 58.8 | Low | 206 Ų | 206 | 126.5 Ų | 126.5 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.6 | 175.1 | -66.2 | -175.3 | 176.4 | -177.5 | 0 | 110.7 | ||
| 84 | D | 61.9 | Low | 58.3 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.5 | 175.5 | -69.9 | -31.2 | 0 | 0 | 0 | 111.6 | ||
| 85 | G | 56.5 | Low | 57.6 | Low | 73 Ų | 73 | 131.2 Ų | 131.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 86 | E | 57.6 | Low | 56.8 | Low | 197 Ų | 197 | 131.6 Ų | 131.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.9 | 177.8 | -67.9 | -177.9 | 150.2 | 0 | 0 | 112 | G88 | E86-G88 PolarHBondContact O-N 3.16Š|
| 87 | K | 57.9 | Low | 56 | Low | 205 Ų | 205 | 133.2 Ų | 133.2 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.1 | 179.9 | -170.7 | 178.7 | -170 | 177 | 0 | 110 | ||
| 88 | G | 56 | Low | 54.9 | Low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 136.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E86 | E86-G88 PolarHBondContact O-N 3.16Š|
| 89 | E | 55.4 | Low | 54 | Low | 197 Ų | 197 | 135.9 Ų | 135.9 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 146.7 | 179 | -67.5 | -172.5 | 138.6 | 0 | 0 | 112.4 | ||
| 90 | K | 54.8 | Low | 53.1 | Low | 200 Ų | 200 | 137.2 Ų | 137.2 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 128.7 | -179.8 | -171.5 | 179.5 | -175.9 | -178.2 | 0 | 109.9 | ||
| 91 | G | 54.3 | Low | 51.9 | Low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 140.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 92 | N | 51.9 | Low | 50.7 | Low | 164 Ų | 164 | 137.6 Ų | 137.6 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.3 | -178.3 | -70.2 | -23.3 | 0 | 0 | 0 | 112.8 | ||
| 93 | G | 51.2 | Low | 50 | Low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 134.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 94 | G | 50.3 | Low | 49.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 95 | D | 48.5 | Very low | 48.5 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 158.7 | 154.4 | -56.3 | -53.3 | 0 | 0 | 0 | 108.9 | ||
| 96 | P | 46.9 | Very low | 48.1 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 84% | 0.842 | S | S | * | * | cis | -160.4 | -169.4 | 40.8 | 37.5 | -11.4 | 0 | 0 | 0 | 116.7 | ||||
| 97 | G | 44 | Very low | 47.5 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | 138.5 | 114.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 98 | R | 38.7 | Very low | 47.2 | Very low | 252 Ų | 252 | 134.6 Ų | 134.6 | 95% | 0.951 | 84% | 0.841 | S | S | * | * | trans | -81.2 | 162 | 166.8 | -103.9 | -177 | -177.8 | -173.6 | 2 | 110.9 | ||||
| 99 | P | 46.9 | Very low | 46.9 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | -100.6 | 157 | -113.4 | 37.1 | -36.6 | 0 | 0 | 0 | 117 | |||||
| 100 | G | 40.5 | Very low | 46.7 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | trans | 163.6 | 127.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 101 | N | 34.5 | Very low | 46.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | trans | -65.5 | 176 | -166.6 | -62.2 | -40.7 | 0 | 0 | 0 | 116.1 | ||||
| 102 | P | 40.1 | Very low | 46.5 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | -99.1 | 168 | -107.2 | 15.5 | 10.2 | 0 | 0 | 0 | 113.1 | |||||
| 103 | G | 44 | Very low | 46.5 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | cis | 169.3 | 141.9 | -4.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 104 | K | 38.3 | Very low | 46.6 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | -147.7 | 151.6 | 162.4 | -81.8 | -166.6 | -178.6 | 178.5 | 0 | 110.5 | ||||
| 105 | P | 49.9 | Very low | 46.8 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.4 | -149.9 | -16.9 | 33 | 0 | 0 | 0 | 117.9 | ||
| 106 | G | 48 | Very low | 47 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 168 | -168.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 107 | V | 45.2 | Very low | 47.3 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -87 | 143.6 | -170.6 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 108 | K | 50.9 | Low | 47.8 | Very low | 203 Ų | 203 | 140 Ų | 140 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132.6 | 179.1 | -166.6 | 177.3 | -176.1 | -178.6 | 0 | 112.1 | ||
| 109 | G | 51.4 | Low | 48.5 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71 | 154.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 110 | R | 49.7 | Very low | 48.9 | Very low | 254 Ų | 254 | 139.9 Ų | 139.9 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79 | 151.3 | 177.8 | -71.7 | -177.2 | 176.8 | -175.2 | -1.2 | 112.3 | ||
| 111 | E | 53.3 | Low | 49.6 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.9 | -179.8 | -158 | 168.8 | -162.1 | 0 | 0 | 112.3 | ||
| 112 | G | 52.8 | Low | 50.5 | Low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 151.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 113 | V | 50.7 | Low | 51.2 | Low | 148 Ų | 148 | 139.4 Ų | 139.4 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 136 | -177.8 | -164.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 114 | I | 55.1 | Low | 51.7 | Low | 162 Ų | 162 | 138.3 Ų | 138.3 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 132.1 | 173.9 | -62.8 | 170.8 | 0 | 0 | 0 | 109.7 | ||
| 115 | G | 53.6 | Low | 52.4 | Low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 116 | K | 53 | Low | 52.7 | Low | 212 Ų | 212 | 141.4 Ų | 141.4 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143.9 | 178.4 | -68.9 | -177.8 | 179.5 | 179.9 | 0 | 110.9 | ||
| 117 | A | 53.1 | Low | 53.1 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 118 | G | 54.8 | Low | 53.5 | Low | 63 Ų | 63 | 136.7 Ų | 136.7 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 154.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 119 | P | 53.8 | Low | 53.9 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.8 | 179.1 | 26.9 | -32.9 | 0 | 0 | 0 | 111.5 | G121 | P119-G121 PolarHBondContact O-N 3.38Š|
| 120 | R | 54.8 | Low | 54.1 | Low | 247 Ų | 247 | 131.7 Ų | 131.7 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131 | 174 | -173.3 | 176.7 | -176.6 | 170.2 | 2.1 | 109.6 | ||
| 121 | G | 54.3 | Low | 54.5 | Low | 60 Ų | 60 | 125.6 Ų | 125.6 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 147.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P119 | P119-G121 PolarHBondContact O-N 3.38Š|
| 122 | A | 53.8 | Low | 54.8 | Low | 96 Ų | 96 | 120.9 Ų | 120.9 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 143.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G124 | A122-G124 PolarHBondContact O-N 3.47Š|
| 123 | K | 54.2 | Low | 54.8 | Low | 207 Ų | 207 | 119.6 Ų | 119.6 | 90% | 0.9 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.7 | 177.6 | -161.6 | 175.4 | -175.3 | 179.5 | 0 | 109.2 | ||
| 124 | G | 54.2 | Low | 55.2 | Low | 49 Ų | 49 | 121.3 Ų | 121.3 | 51% | 0.505 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 147.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A122 | A122-G124 PolarHBondContact O-N 3.47Š|
| 125 | L | 53.7 | Low | 55.5 | Low | 162 Ų | 162 | 122.9 Ų | 122.9 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141.1 | -178.1 | -67 | 169.2 | 0 | 0 | 0 | 111 | G127 | L125-G127 PolarHBondContact O-N 2.61Š|
| 126 | R | 56.5 | Low | 55.5 | Low | 245 Ų | 245 | 121.5 Ų | 121.5 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.4 | 175.8 | -171.5 | 177.2 | -171.8 | 170.7 | 2.3 | 109.1 | ||
| 127 | G | 55.3 | Low | 55.7 | Low | 41 Ų | 41 | 120.2 Ų | 120.2 | 42% | 0.423 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 147.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L125 | L125-G127 PolarHBondContact O-N 2.61Š|
| 128 | S | 55.3 | Low | 56.2 | Low | 91 Ų | 91 | 125.2 Ų | 125.2 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 148.3 | -179 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 129 | P | 59.1 | Low | 56.2 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141.6 | 173.2 | -24 | 33.6 | 0 | 0 | 0 | 111.9 | ||
| 130 | G | 54.8 | Low | 56.5 | Low | 45 Ų | 45 | 125.6 Ų | 125.6 | 46% | 0.464 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 152.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 131 | V | 57.7 | Low | 56.7 | Low | 127 Ų | 127 | 122 Ų | 122 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 138.8 | -179.7 | -171.9 | 0 | 0 | 0 | 0 | 110 | G133 | V131-G133 PolarHBondContact O-N 2.97Š|
| 132 | A | 59.4 | Low | 56.7 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 136.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 133 | G | 54.3 | Low | 57 | Low | 43 Ų | 43 | 123 Ų | 123 | 44% | 0.443 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 151.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V131 | V131-G133 PolarHBondContact O-N 2.97Š|
| 134 | K | 59.5 | Low | 57.2 | Low | 185 Ų | 185 | 124.9 Ų | 124.9 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.3 | 179.3 | -67.3 | -176.1 | 178.5 | -179 | 0 | 110.5 | G136 | K134-G136 PolarHBondContact O-N 3.23Š|
| 135 | Q | 60.4 | Low | 57.1 | Low | 194 Ų | 194 | 124.6 Ų | 124.6 | 91% | 0.907 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.5 | 174.8 | -169.7 | 173.7 | 18.9 | 0 | 0 | 110.3 | ||
| 136 | G | 54.1 | Low | 56.9 | Low | 37 Ų | 37 | 125.7 Ų | 125.7 | 38% | 0.381 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 149.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K134 | K134-G136 PolarHBondContact O-N 3.23Š|
| 137 | K | 57.1 | Low | 56.5 | Low | 184 Ų | 184 | 123.1 Ų | 123.1 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143.2 | 179.2 | -67.9 | -175.4 | 177.6 | -179.1 | 0 | 110.3 | G139 | K137-G139 PolarHBondContact O-N 3.03Š|
| 138 | K | 63 | Low | 56 | Low | 205 Ų | 205 | 123.4 Ų | 123.4 | 89% | 0.891 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.8 | 171.4 | -172.5 | 177.9 | 178.9 | -178.1 | 0 | 108.8 | ||
| 139 | G | 54.2 | Low | 55.3 | Low | 31 Ų | 31 | 124.7 Ų | 124.7 | 32% | 0.32 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 155.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K137 | K137-G139 PolarHBondContact O-N 3.03Š|
| 140 | E | 60.6 | Low | 54.7 | Low | 173 Ų | 173 | 124.8 Ų | 124.8 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 151.5 | -179 | -64.7 | -178.3 | 167.3 | 0 | 0 | 111.5 | G142 | E140-G142 PolarHBondContact O-N 3.36Š|
| 141 | L | 59.5 | Low | 54.1 | Low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.5 | 173.5 | -176.1 | 68.4 | 0 | 0 | 0 | 107.9 | ||
| 142 | G | 55.1 | Low | 53.1 | Low | 30 Ų | 30 | 122.2 Ų | 122.2 | 31% | 0.309 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 147.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 | E140-G142 PolarHBondContact O-N 3.36Š|
| 143 | D | 58.5 | Low | 52.4 | Low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 145.9 | -178.9 | -68 | -40.4 | 0 | 0 | 0 | 111.6 | G145 | D143-G145 PolarHBondContact O-N 3.16Š|
| 144 | R | 58.9 | Low | 52.1 | Low | 247 Ų | 247 | 126.8 Ų | 126.8 | 93% | 0.932 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.2 | 170.1 | -174.1 | 175.4 | 179 | 173.3 | -1.4 | 107.7 | Q146 | R144-Q146 PolarHBondContact O-N 3.42Š|
| 145 | G | 52.2 | Low | 51.5 | Low | 42 Ų | 42 | 121.4 Ų | 121.4 | 43% | 0.433 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 139 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D143 | D143-G145 PolarHBondContact O-N 3.16Š|
| 146 | Q | 50.5 | Low | 51 | Low | 186 Ų | 186 | 115 Ų | 115 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.9 | 177.4 | -67.9 | -175.4 | -3.4 | 0 | 0 | 110 | R144 G148 | R144-Q146 PolarHBondContact O-N 3.42Å; Q146-G148 PolarHBondContact O-N 3.45Å |
| 147 | E | 47.1 | Very low | 51.2 | Low | 190 Ų | 190 | 118.8 Ų | 118.8 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.8 | 168.8 | -166.4 | 167.6 | -167 | 0 | 0 | 107.7 | ||
| 148 | G | 44.4 | Very low | 51.7 | Low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 150.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q146 | Q146-G148 PolarHBondContact O-N 3.45Š|
| 149 | P | 41.9 | Very low | 52.5 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 149.2 | 167.8 | 24.9 | -33.2 | 0 | 0 | 0 | 109.1 | G151 | P149-G151 PolarHBondContact O-N 3.48Š|
| 150 | P | 45.9 | Very low | 54.2 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -45.2 | 123.4 | 169.1 | -23.6 | 31.3 | 0 | 0 | 0 | 107.2 | G152 | P150-G152 PolarHBondContact O-N 3.4Š| ||
| 151 | G | 41.8 | Very low | 55.8 | Low | 56 Ų | 56 | 100.8 Ų | 100.8 | 58% | 0.577 | 61% | 0.607 | S | S | * | * | trans | -48.8 | 121.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P149 C153 | P149-G151 PolarHBondContact O-N 3.48Å; G151-C153 PolarHBondContact O-N 3.06Å; G151-C153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | G | 37.3 | Very low | 57.6 | Low | 63 Ų | 63 | 93.6 Ų | 93.6 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | trans | -50 | 129.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | P150 N154 | P150-G152 PolarHBondContact O-N 3.4Å; G152-N154 PolarHBondContact O-N 3.42Å | ||
| 153 | C | 44.9 | Very low | 59.7 | Low | 81 Ų | 81 | 92.2 Ų | 92.2 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | trans | -67.7 | 69.7 | 169.9 | -67.4 | 0 | 0 | 0 | 0 | 107.7 | G151 C155 | G151-C153 PolarHBondContact O-N 3.06Å; G151-C153 VanDerWaalsContact O-N 3.13Å; C153-C155 PolarHBondContact O-N 2.94Å | ||
| 154 | N | 47.6 | Very low | 61.6 | Low | 149 Ų | 149 | 86.4 Ų | 86.4 | 80% | 0.797 | 53% | 0.529 | S | S | * | . | trans | -69.1 | 85.5 | 147.3 | -67 | -3.1 | 0 | 0 | 0 | 102.5 | G152 G156 | G152-N154 PolarHBondContact O-N 3.42Å; N154-G156 PolarHBondContact O-N 2.96Å | ||
| 155 | C | 45.9 | Very low | 63.4 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 49% | 0.493 | 48% | 0.484 | S | S | . | . | trans | -45.6 | 110.4 | 139.7 | -66.1 | 0 | 0 | 0 | 0 | 103 | C153 A158 R160 | C153-C155 PolarHBondContact O-N 2.94Å; C155-A158 HydrophobicContact CB-CB 4.06Å; C155-R160 PolarHBondContact SG-NH2 2.83Å; C155-R160 VanDerWaalsContact SG-NH2 3.4Å | ||
| 156 | G | 51.1 | Low | 65.5 | Low | 59 Ų | 59 | 72.7 Ų | 72.7 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | trans | -58.9 | -152.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | N154 A158 | N154-G156 PolarHBondContact O-N 2.96Å; G156-A158 PolarHBondContact O-N 3.14Å | ||
| 157 | T | 57.8 | Low | 67.6 | Low | 117 Ų | 117 | 64 Ų | 64 | 72% | 0.718 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -61 | 61.8 | 155.8 | 41.9 | 0 | 0 | 0 | 0 | 110.7 | A159 | T157-A159 PolarHBondContact O-N 2.91Å; T157-A159 VanDerWaalsContact O-N 3.1Å |
| 158 | A | 67.5 | Low | 69.8 | Low | 46 Ų | 46 | 57.5 Ų | 57.5 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -61.3 | 118.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | C155 G156 R160 | C155-A158 HydrophobicContact CB-CB 4.06Å; G156-A158 PolarHBondContact O-N 3.14Å; A158-R160 WeakPolarHBondContact O-CG 3.35Å; A158-R160 PolarHBondContact O-N 2.94Å | ||
| 159 | A | 79.9 | Confident | 72.1 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | trans | -51 | 106.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | T157 I202 L285 A288 L293 | T157-A159 PolarHBondContact O-N 2.91Å; T157-A159 VanDerWaalsContact O-N 3.1Å; A159-I202 HydrophobicContact CB-CD1 3.95Å; A159-I202 HydrophobicContact CB-CG2 3.87Å; A159-L285 HydrophobicContact CB-CD2 3.94Å; A159-A288 HydrophobicContact CB-CB 3.72Å; A159-L293 HydrophobicContact CB-CD2 3.84Å | ||
| 160 | R | 89.1 | Confident | 74.6 | Confident | 134 Ų | 134 | 58.8 Ų | 58.8 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | trans | -118.9 | 122.5 | -179.4 | -75.7 | 173.1 | -173.9 | -170.7 | 4 | 108.5 | C155 A158 E187 | C155-R160 PolarHBondContact SG-NH2 2.83Å; C155-R160 VanDerWaalsContact SG-NH2 3.4Å; A158-R160 WeakPolarHBondContact O-CG 3.35Å; A158-R160 PolarHBondContact O-N 2.94Å; R160-E187 HydrophobicContact CB-CG 3.87Å; R160-E187 WeakPolarHBondContact CD-OE1 3.25Å; R160-E187 IonicContact NH1-OE1 2.92Å | ||
| 161 | S | 95.6 | Very high | 76.9 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | trans | -148.3 | 111 | 173.3 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | H190 F198 Y206 F284 L285 | S161-H190 WeakPolarHBondContact CB-ND1 3.47Å; S161-H190 PolarHBondContact OG-ND1 2.8Å; S161-F198 WeakPolarHBondContact OG-CZ 3.26Å; S161-Y206 WeakPolarHBondContact OG-CE1 3.46Å; S161-F284 CarbonylContact O-C 3.44Å; S161-F284 WeakPolarHBondContact O-CA 3.25Å; S161-L285 PolarHBondContact O-N 2.77Å | ||
| 162 | A | 97.3 | Very high | 79.4 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 140.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L185 N186 E187 G283 F284 | A162-L185 HydrophobicContact CB-CD2 3.99Å; A162-N186 CarbonylContact O-C 3.55Å; A162-E187 HydrophobicContact CB-CB 4.32Å; A162-E187 PolarHBondContact N-O 2.86Å; A162-E187 PolarHBondContact O-N 3.33Å; A162-G283 CarbonylContact C-O 3.51Å; A162-G283 WeakPolarHBondContact CA-O 3.13Å; A162-F284 HydrophobicContact CB-CB 3.69Å |
| 163 | F | 98.2 | Very high | 82 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.8 | 170.3 | 72.5 | -80.2 | 0 | 0 | 0 | 110.1 | V165 L185 Y191 F198 F208 F281 T282 G283 | F163-V165 HydrophobicContact CD2-CG1 4.2Å; F163-V165 HydrophobicContact CD2-CG2 3.99Å; F163-V165 HydrophobicContact CE2-CG2 4.15Å; F163-L185 CarbonylContact C-O 3.55Å; F163-L185 VanDerWaalsContact CA-O 3.23Å; F163-L185 WeakPolarHBondContact CA-O 3.27Å; F163-Y191 HydrophobicContact CB-CG 4.44Å; F163-Y191 AromaticContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CE2 4.42Å; F163-Y191 AromaticContact CD2-CG 3.86Å; F163-Y191 HydrophobicContact CD2-CG 3.86Å; F163-Y191 AromaticContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CE2 4.25Å; F163-Y191 HydrophobicContact CE2-CG 4.4Å; F163-Y191 HydrophobicContact CG-CD2 4.25Å; F163-Y191 HydrophobicContact CG-CG 4.16Å; F163-Y191 HydrophobicContact CZ-CD2 4.36Å; F163-F198 HydrophobicContact CD1-CB 4.35Å; F163-F198 AromaticContact CD1-CD2 3.3Å; F163-F198 HydrophobicContact CD1-CD2 3.3Å; F163-F198 AromaticContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CG 4.05Å; F163-F198 HydrophobicContact CE1-CB 3.71Å; F163-F198 HydrophobicContact CE1-CD1 4.48Å; F163-F198 AromaticContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CE2 4.03Å; F163-F198 AromaticContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CG-CD2 4.33Å; F163-F198 HydrophobicContact CZ-CB 3.98Å; F163-F198 HydrophobicContact CZ-CD2 4.37Å; F163-F198 HydrophobicContact CZ-CG 4.34Å; F163-F208 HydrophobicContact CE1-CD1 4.25Å; F163-F208 AromaticContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CZ-CD1 4.12Å; F163-F208 AromaticContact CZ-CE1 3.99Å; F163-F208 HydrophobicContact CZ-CE1 3.99Å; F163-F281 AromaticContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD2 4.46Å; F163-F281 AromaticContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CG 4.01Å; F163-F281 HydrophobicContact CE2-CZ 4.12Å; F163-F281 AromaticContact CZ-CD1 3.98Å; F163-F281 HydrophobicContact CZ-CD1 3.98Å; F163-F281 AromaticContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE2 4.13Å; F163-F281 HydrophobicContact CZ-CG 4.44Å; F163-F281 AromaticContact CZ-CZ 3.64Å; F163-F281 HydrophobicContact CZ-CZ 3.64Å; F163-T282 WeakPolarHBondContact O-CA 3.12Å; F163-T282 WeakPolarHBondContact O-CG2 3.48Å; F163-G283 WeakPolarHBondContact CD1-O 3.47Å; F163-G283 PolarHBondContact N-O 2.82Å; F163-G283 PolarHBondContact O-N 3.29Å |
| 164 | S | 98.1 | Very high | 84.3 | Confident | 24 Ų | 24 | 60 Ų | 60 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 126.1 | 168.1 | -170.6 | 0 | 0 | 0 | 0 | 107.8 | L184 L185 T282 | S164-L184 WeakPolarHBondContact O-CA 3.14Å; S164-L184 VanDerWaalsContact O-CB 3.28Å; S164-L184 WeakPolarHBondContact O-CB 3.27Å; S164-L184 PolarHBondContact O-N 3.12Å; S164-L185 PolarHBondContact N-O 2.78Å; S164-L185 PolarHBondContact O-N 2.73Å; S164-T282 WeakPolarHBondContact CB-OG1 3.16Å; S164-T282 PolarHBondContact OG-OG1 3.04Å |
| 165 | V | 97.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.7 | -170 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | F163 F180 R182 I183 Y191 T280 F281 | F163-V165 HydrophobicContact CD2-CG1 4.2Å; F163-V165 HydrophobicContact CD2-CG2 3.99Å; F163-V165 HydrophobicContact CE2-CG2 4.15Å; V165-F180 HydrophobicContact CB-CB 3.63Å; V165-F180 HydrophobicContact CB-CG 4.48Å; V165-F180 HydrophobicContact CG2-CB 3.33Å; V165-F180 HydrophobicContact CG2-CD1 4.23Å; V165-F180 HydrophobicContact CG2-CD2 4.38Å; V165-F180 HydrophobicContact CG2-CG 3.76Å; V165-R182 CarbonylContact C-O 2.94Å; V165-R182 VanDerWaalsContact CA-O 3.32Å; V165-R182 WeakPolarHBondContact CA-O 3.1Å; V165-I183 HydrophobicContact CG1-CD1 3.49Å; V165-I183 VanDerWaalsContact CG1-CD1 3.49Å; V165-Y191 HydrophobicContact CB-CE1 4.19Å; V165-Y191 HydrophobicContact CG1-CD1 3.66Å; V165-Y191 HydrophobicContact CG1-CE1 3.66Å; V165-Y191 HydrophobicContact CG1-CG 4.26Å; V165-Y191 HydrophobicContact CG2-CE1 4.05Å; V165-Y191 HydrophobicContact CG2-CE2 4.1Å; V165-T280 CarbonylContact O-C 3.6Å; V165-T280 VanDerWaalsContact O-CA 3.23Å; V165-T280 WeakPolarHBondContact O-CA 3.15Å; V165-F281 HydrophobicContact CG2-CB 4.06Å; V165-F281 HydrophobicContact CG2-CD1 4.42Å; V165-F281 VanDerWaalsContact CG2-O 3.26Å; V165-F281 WeakPolarHBondContact CG2-O 3.43Å; V165-F281 PolarHBondContact N-O 2.75Å; V165-F281 PolarHBondContact O-N 2.94Å |
| 166 | A | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | F180 S181 R182 L184 S279 T280 | A166-F180 CarbonylContact O-C 3.52Å; A166-F180 WeakPolarHBondContact O-CA 3.35Å; A166-S181 PolarHBondContact O-N 2.86Å; A166-R182 HydrophobicContact CB-CB 4.2Å; A166-R182 HydrophobicContact CB-CG 4.45Å; A166-R182 PolarHBondContact N-O 2.82Å; A166-R182 WeakPolarHBondContact O-CB 3.46Å; A166-R182 PolarHBondContact O-N 3.02Å; A166-L184 HydrophobicContact CB-CD1 4.49Å; A166-S279 VanDerWaalsContact CA-O 3.32Å; A166-S279 WeakPolarHBondContact CA-O 3.37Å; A166-T280 HydrophobicContact CB-CG2 4.36Å |
| 167 | V | 95.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | trans | -72.2 | 159.5 | 170.2 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | I178 F180 L270 F272 S279 | V167-I178 HydrophobicContact CG1-CG2 4.09Å; V167-F180 HydrophobicContact CB-CD1 4.46Å; V167-F180 HydrophobicContact CG1-CD1 3.47Å; V167-F180 VanDerWaalsContact CG1-CD1 3.47Å; V167-F180 HydrophobicContact CG1-CE1 3.51Å; V167-F180 HydrophobicContact CG1-CG 4.07Å; V167-F180 HydrophobicContact CG1-CZ 4.14Å; V167-L270 HydrophobicContact CB-CD2 4.38Å; V167-L270 HydrophobicContact CG1-CD1 4.5Å; V167-L270 HydrophobicContact CG1-CD2 4.06Å; V167-L270 HydrophobicContact CG2-CD2 4.04Å; V167-F272 HydrophobicContact CG2-CB 3.87Å; V167-F272 HydrophobicContact CG2-CD2 4.14Å; V167-F272 HydrophobicContact CG2-CG 4.25Å; V167-F272 WeakPolarHBondContact O-CD2 3.35Å; V167-F272 WeakPolarHBondContact O-CE2 3.38Å; V167-S279 PolarHBondContact N-O 3.32Å | ||
| 168 | T | 93.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -126.7 | 4.3 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | S181 R182 F272 | T168-S181 VanDerWaalsContact CG2-OG 3.22Å; T168-S181 WeakPolarHBondContact CG2-OG 3.26Å; T168-S181 PolarHBondContact OG1-OG 3.25Å; T168-R182 HydrophobicContact CG2-CB 3.7Å; T168-F272 VanDerWaalsContact C-CE1 3.48Å; T168-F272 WeakPolarHBondContact O-CD1 3.49Å; T168-F272 WeakPolarHBondContact O-CE1 3.46Å |
| 169 | K | 92.9 | Very high | 94.1 | Very high | 159 Ų | 159 | 57.1 Ų | 57.1 | 69% | 0.691 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -146.5 | 135 | -175.2 | -62.9 | -176.6 | -177.6 | 179.4 | 0 | 109.2 | ||
| 170 | S | 94.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -72 | 158.1 | 169 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | L270 F271 F272 | S170-L270 WeakPolarHBondContact CA-O 3.31Å; S170-F271 WeakPolarHBondContact OG-CD2 3.38Å; S170-F272 PolarHBondContact OG-N 3.48Å; S170-F272 PolarHBondContact OG-O 3.13Å; S170-F272 VanDerWaalsContact OG-O 3.13Å |
| 171 | Y | 93.9 | Very high | 95 | Very high | 91 Ų | 91 | 52 Ų | 52 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 54.4 | 59.4 | 171.6 | -43.7 | -61.3 | 0 | 0 | 0 | 113.8 | N216 N268 L270 | Y171-N216 PolarHBondContact OH-ND2 2.94Å; Y171-N268 WeakPolarHBondContact CD1-O 3.45Å; Y171-N268 WeakPolarHBondContact CE1-O 3.44Å; Y171-L270 PolarHBondContact N-O 3.4Å |
| 172 | P | 94 | Very high | 94.9 | Very high | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 159.1 | 175.9 | 29.4 | -36.4 | 0 | 0 | 0 | 110.8 | E174 I178 I262 N268 L270 | P172-E174 PolarHBondContact O-N 2.99Å; P172-I178 HydrophobicContact CB-CG1 4.2Å; P172-I178 HydrophobicContact CB-CG2 4.04Å; P172-I178 HydrophobicContact CG-CD1 4.29Å; P172-I178 HydrophobicContact CG-CG1 3.86Å; P172-I178 HydrophobicContact CG-CG2 3.98Å; P172-I262 HydrophobicContact CG-CG1 4.44Å; P172-N268 PolarHBondContact O-ND2 2.87Å; P172-L270 HydrophobicContact CG-CD1 4.31Å; P172-L270 HydrophobicContact CG-CD2 4.42Å |
| 173 | K | 92.6 | Very high | 94.7 | Very high | 170 Ų | 170 | 59.7 Ų | 59.7 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 131.4 | 178.8 | -67.5 | -174.8 | 178.3 | -177.6 | 0 | 111 | ||
| 174 | E | 92.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 158.7 | -178.8 | -49.4 | 87.9 | 175.8 | 0 | 0 | 111.7 | P172 M176 I262 N268 | P172-E174 PolarHBondContact O-N 2.99Å; E174-M176 PolarHBondContact O-N 2.86Å; E174-I262 HydrophobicContact CB-CB 4.37Å; E174-I262 HydrophobicContact CB-CG2 4.29Å; E174-I262 HydrophobicContact CG-CB 4.31Å; E174-I262 HydrophobicContact CG-CG2 3.97Å; E174-N268 HydrophobicContact CG-CB 3.96Å; E174-N268 PolarHBondContact OE1-ND2 3.24Å |
| 175 | R | 90.9 | Very high | 94.1 | Very high | 168 Ų | 168 | 66.7 Ų | 66.7 | 63% | 0.634 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 12.5 | -178.5 | -54.4 | 179 | -178.9 | -113.8 | 1.8 | 114.9 | I262 | R175-I262 WeakPolarHBondContact CA-O 3.37Å; R175-I262 PolarHBondContact N-O 2.89Å |
| 176 | M | 94.2 | Very high | 93.9 | Very high | 111 Ų | 111 | 68.3 Ų | 68.3 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.4 | 156.3 | 175.8 | -62.3 | -62.9 | -70.6 | 0 | 0 | 109.1 | E174 I178 Q261 | E174-M176 PolarHBondContact O-N 2.86Å; M176-I178 PolarHBondContact O-N 2.64Å; M176-Q261 WeakPolarHBondContact O-CB 3.32Å |
| 177 | P | 97.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -53 | 136.9 | 169.5 | -23.8 | 33.1 | 0 | 0 | 0 | 111.5 | N179 S195 K197 W259 | P177-N179 PolarHBondContact O-OD1 3.14Å; P177-S195 VanDerWaalsContact CB-O 3.25Å; P177-S195 WeakPolarHBondContact CB-O 3.28Å; P177-K197 HydrophobicContact CB-CG 4.35Å; P177-K197 HydrophobicContact CG-CG 4.37Å; P177-W259 HydrophobicContact CB-CB 4.37Å; P177-W259 HydrophobicContact CB-CG 4.07Å; P177-W259 HydrophobicContact CG-CG 4.21Å |
| 178 | I | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | trans | -78.8 | 125.5 | 176 | -63.7 | 162.5 | 0 | 0 | 0 | 108.4 | V167 P172 M176 F180 G196 I221 L260 I262 L270 | V167-I178 HydrophobicContact CG1-CG2 4.09Å; P172-I178 HydrophobicContact CB-CG1 4.2Å; P172-I178 HydrophobicContact CB-CG2 4.04Å; P172-I178 HydrophobicContact CG-CD1 4.29Å; P172-I178 HydrophobicContact CG-CG1 3.86Å; P172-I178 HydrophobicContact CG-CG2 3.98Å; M176-I178 PolarHBondContact O-N 2.64Å; I178-F180 HydrophobicContact CB-CD2 4.38Å; I178-F180 HydrophobicContact CB-CE2 3.8Å; I178-F180 HydrophobicContact CB-CZ 4.47Å; I178-F180 HydrophobicContact CG2-CD2 3.99Å; I178-F180 HydrophobicContact CG2-CE2 3.57Å; I178-F180 HydrophobicContact CG2-CZ 3.96Å; I178-F180 WeakPolarHBondContact O-CD2 3.34Å; I178-F180 PolarHBondContact O-N 3.32Å; I178-G196 VanDerWaalsContact O-CA 3.32Å; I178-G196 WeakPolarHBondContact O-CA 3.44Å; I178-I221 HydrophobicContact CD1-CD1 3.7Å; I178-I221 HydrophobicContact CD1-CG1 4.12Å; I178-L260 HydrophobicContact CD1-CB 4.17Å; I178-L260 PolarHBondContact N-O 3.27Å; I178-I262 HydrophobicContact CD1-CD1 4.06Å; I178-I262 HydrophobicContact CD1-CG1 4.02Å; I178-L270 HydrophobicContact CD1-CD1 4.11Å | ||
| 179 | N | 95.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -84.2 | 97.2 | 177.7 | -70.7 | 33.1 | 0 | 0 | 0 | 110.7 | P177 S181 A193 S194 | P177-N179 PolarHBondContact O-OD1 3.14Å; N179-S181 PolarHBondContact O-N 3.08Å; N179-A193 PolarHBondContact ND2-O 3.11Å; N179-S194 PolarHBondContact ND2-O 2.85Å | ||
| 180 | F | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -78.9 | 97.6 | 165.7 | -58 | -106.2 | 0 | 0 | 0 | 108.5 | V165 A166 V167 I178 Y191 I212 L260 F281 | V165-F180 HydrophobicContact CB-CB 3.63Å; V165-F180 HydrophobicContact CB-CG 4.48Å; V165-F180 HydrophobicContact CG2-CB 3.33Å; V165-F180 HydrophobicContact CG2-CD1 4.23Å; V165-F180 HydrophobicContact CG2-CD2 4.38Å; V165-F180 HydrophobicContact CG2-CG 3.76Å; A166-F180 CarbonylContact O-C 3.52Å; A166-F180 WeakPolarHBondContact O-CA 3.35Å; V167-F180 HydrophobicContact CB-CD1 4.46Å; V167-F180 HydrophobicContact CG1-CD1 3.47Å; V167-F180 VanDerWaalsContact CG1-CD1 3.47Å; V167-F180 HydrophobicContact CG1-CE1 3.51Å; V167-F180 HydrophobicContact CG1-CG 4.07Å; V167-F180 HydrophobicContact CG1-CZ 4.14Å; I178-F180 HydrophobicContact CB-CD2 4.38Å; I178-F180 HydrophobicContact CB-CE2 3.8Å; I178-F180 HydrophobicContact CB-CZ 4.47Å; I178-F180 HydrophobicContact CG2-CD2 3.99Å; I178-F180 HydrophobicContact CG2-CE2 3.57Å; I178-F180 HydrophobicContact CG2-CZ 3.96Å; I178-F180 WeakPolarHBondContact O-CD2 3.34Å; I178-F180 PolarHBondContact O-N 3.32Å; F180-Y191 VanDerWaalsContact CB-OH 3.31Å; F180-Y191 WeakPolarHBondContact CB-OH 3.26Å; F180-Y191 PolarHBondContact N-OH 2.89Å; F180-Y191 WeakPolarHBondContact O-CE1 3.26Å; F180-Y191 PolarHBondContact O-OH 3.01Å; F180-I212 HydrophobicContact CE1-CD1 4.39Å; F180-I212 HydrophobicContact CZ-CD1 4.34Å; F180-L260 HydrophobicContact CE2-CB 4.17Å; F180-L260 HydrophobicContact CE2-CD1 3.93Å; F180-L260 HydrophobicContact CZ-CB 4.49Å; F180-L260 HydrophobicContact CZ-CD1 3.64Å; F180-F281 HydrophobicContact CD1-CB 4Å; F180-F281 HydrophobicContact CD2-CB 4.17Å; F180-F281 HydrophobicContact CD2-CD1 4.33Å; F180-F281 HydrophobicContact CE1-CB 3.72Å; F180-F281 HydrophobicContact CE2-CB 3.91Å; F180-F281 HydrophobicContact CE2-CD1 4.24Å; F180-F281 HydrophobicContact CE2-CG 4.42Å; F180-F281 HydrophobicContact CG-CB 4.25Å; F180-F281 HydrophobicContact CZ-CB 3.71Å | ||
| 181 | S | 92.4 | Very high | 93.6 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | trans | -85.9 | -20.6 | -172 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | A166 T168 N179 | A166-S181 PolarHBondContact O-N 2.86Å; T168-S181 VanDerWaalsContact CG2-OG 3.22Å; T168-S181 WeakPolarHBondContact CG2-OG 3.26Å; T168-S181 PolarHBondContact OG1-OG 3.25Å; N179-S181 PolarHBondContact O-N 3.08Å | ||
| 182 | R | 93 | Very high | 93.6 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.6 | -179.5 | 179.2 | 178.2 | 177.6 | -154.4 | -1.4 | 108.5 | V165 A166 T168 L184 D278 | V165-R182 CarbonylContact C-O 2.94Å; V165-R182 VanDerWaalsContact CA-O 3.32Å; V165-R182 WeakPolarHBondContact CA-O 3.1Å; A166-R182 HydrophobicContact CB-CB 4.2Å; A166-R182 HydrophobicContact CB-CG 4.45Å; A166-R182 PolarHBondContact N-O 2.82Å; A166-R182 WeakPolarHBondContact O-CB 3.46Å; A166-R182 PolarHBondContact O-N 3.02Å; T168-R182 HydrophobicContact CG2-CB 3.7Å; R182-L184 HydrophobicContact CG-CD2 4.29Å; R182-D278 IonicContact NH1-OD1 2.99Å; R182-D278 PolarHBondContact NH1-OD1 2.85Å; R182-D278 IonicContact NH1-OD2 2.97Å; R182-D278 PolarHBondContact NH1-OD2 3.25Å |
| 183 | I | 92.6 | Very high | 93.6 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.7 | 178.6 | -54.7 | -56.7 | 0 | 0 | 0 | 109.6 | V165 N186 Y191 A193 | V165-I183 HydrophobicContact CG1-CD1 3.49Å; V165-I183 VanDerWaalsContact CG1-CD1 3.49Å; I183-N186 HydrophobicContact CG2-CB 3.76Å; I183-Y191 HydrophobicContact CD1-CD1 4Å; I183-Y191 HydrophobicContact CD1-CE1 4.14Å; I183-A193 HydrophobicContact CD1-CB 4.12Å |
| 184 | L | 92.5 | Very high | 93.6 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -39.2 | 170.4 | -50.1 | 176.8 | 0 | 0 | 0 | 110.2 | S164 A166 R182 | S164-L184 WeakPolarHBondContact O-CA 3.14Å; S164-L184 VanDerWaalsContact O-CB 3.28Å; S164-L184 WeakPolarHBondContact O-CB 3.27Å; S164-L184 PolarHBondContact O-N 3.12Å; A166-L184 HydrophobicContact CB-CD1 4.49Å; R182-L184 HydrophobicContact CG-CD2 4.29Å |
| 185 | L | 92.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 65 Ų | 65 | 45% | 0.445 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.4 | 174.9 | 177.6 | 67.7 | 0 | 0 | 0 | 109.1 | A162 F163 S164 E187 | A162-L185 HydrophobicContact CB-CD2 3.99Å; F163-L185 CarbonylContact C-O 3.55Å; F163-L185 VanDerWaalsContact CA-O 3.23Å; F163-L185 WeakPolarHBondContact CA-O 3.27Å; S164-L185 PolarHBondContact N-O 2.78Å; S164-L185 PolarHBondContact O-N 2.73Å; L185-E187 HydrophobicContact CD1-CB 4.41Å |
| 186 | N | 93.5 | Very high | 93.9 | Very high | 33 Ų | 33 | 57 Ų | 57 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 60.2 | 171.9 | -165.5 | 16.5 | 0 | 0 | 0 | 111 | A162 I183 G188 N189 H190 Y191 | A162-N186 CarbonylContact O-C 3.55Å; I183-N186 HydrophobicContact CG2-CB 3.76Å; N186-G188 PolarHBondContact O-N 3.31Å; N186-N189 PolarHBondContact O-N 2.85Å; N186-H190 PolarHBondContact OD1-N 2.98Å; N186-Y191 PolarHBondContact ND2-O 3.09Å; N186-Y191 WeakPolarHBondContact OD1-CB 3.48Å; N186-Y191 PolarHBondContact OD1-N 2.81Å |
| 187 | E | 90.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.1 | 177.7 | -173.4 | 71 | 174.2 | 0 | 0 | 110.3 | R160 A162 L185 N189 | R160-E187 HydrophobicContact CB-CG 3.87Å; R160-E187 WeakPolarHBondContact CD-OE1 3.25Å; R160-E187 IonicContact NH1-OE1 2.92Å; A162-E187 HydrophobicContact CB-CB 4.32Å; A162-E187 PolarHBondContact N-O 2.86Å; A162-E187 PolarHBondContact O-N 3.33Å; L185-E187 HydrophobicContact CD1-CB 4.41Å; E187-N189 VanDerWaalsContact C-N 3.29Å |
| 188 | G | 87.2 | Confident | 94.1 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -5.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N186 H190 | N186-G188 PolarHBondContact O-N 3.31Å; G188-H190 VanDerWaalsContact C-CD2 3.49Å; G188-H190 PolarHBondContact O-CD2 3.2Å; G188-H190 PolarHBondContact O-N 2.78Å; G188-H190 PolarHBondContact O-NE2 2.57Å; G188-H190 VanDerWaalsContact O-NE2 3.16Å |
| 189 | N | 92.6 | Very high | 94.2 | Very high | 134 Ų | 134 | 54.6 Ų | 54.6 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.9 | -175.7 | -60.8 | -59.8 | 0 | 0 | 0 | 113.7 | N186 E187 | N186-N189 PolarHBondContact O-N 2.85Å; E187-N189 VanDerWaalsContact C-N 3.29Å |
| 190 | H | 95.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | trans | -81.9 | -13.9 | -176 | -60.6 | 156.6 | 0 | 0 | 0 | 113.3 | S161 N186 G188 F198 V199 Q201 | S161-H190 WeakPolarHBondContact CB-ND1 3.47Å; S161-H190 PolarHBondContact OG-ND1 2.8Å; N186-H190 PolarHBondContact OD1-N 2.98Å; G188-H190 VanDerWaalsContact C-CD2 3.49Å; G188-H190 PolarHBondContact O-CD2 3.2Å; G188-H190 PolarHBondContact O-N 2.78Å; G188-H190 PolarHBondContact O-NE2 2.57Å; G188-H190 VanDerWaalsContact O-NE2 3.16Å; H190-F198 HydrophobicContact CB-CD2 3.94Å; H190-F198 HydrophobicContact CB-CE2 3.43Å; H190-F198 VanDerWaalsContact CB-CE2 3.43Å; H190-F198 HydrophobicContact CB-CZ 4.18Å; H190-V199 WeakPolarHBondContact CB-O 3.44Å; H190-V199 PolarHBondContact O-N 2.83Å; H190-Q201 WeakPolarHBondContact CD2-CG 3.33Å; H190-Q201 WeakPolarHBondContact NE2-CB 3.26Å; H190-Q201 WeakPolarHBondContact NE2-CG 3.25Å | ||
| 191 | Y | 97.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.7 | 170.6 | 179.8 | -91.1 | 0 | 0 | 0 | 111.7 | F163 V165 F180 I183 N186 A193 G196 F198 F281 | F163-Y191 HydrophobicContact CB-CG 4.44Å; F163-Y191 AromaticContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CD2 3.7Å; F163-Y191 HydrophobicContact CD2-CE2 4.42Å; F163-Y191 AromaticContact CD2-CG 3.86Å; F163-Y191 HydrophobicContact CD2-CG 3.86Å; F163-Y191 AromaticContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CD2 3.76Å; F163-Y191 HydrophobicContact CE2-CE2 4.25Å; F163-Y191 HydrophobicContact CE2-CG 4.4Å; F163-Y191 HydrophobicContact CG-CD2 4.25Å; F163-Y191 HydrophobicContact CG-CG 4.16Å; F163-Y191 HydrophobicContact CZ-CD2 4.36Å; V165-Y191 HydrophobicContact CB-CE1 4.19Å; V165-Y191 HydrophobicContact CG1-CD1 3.66Å; V165-Y191 HydrophobicContact CG1-CE1 3.66Å; V165-Y191 HydrophobicContact CG1-CG 4.26Å; V165-Y191 HydrophobicContact CG2-CE1 4.05Å; V165-Y191 HydrophobicContact CG2-CE2 4.1Å; F180-Y191 VanDerWaalsContact CB-OH 3.31Å; F180-Y191 WeakPolarHBondContact CB-OH 3.26Å; F180-Y191 PolarHBondContact N-OH 2.89Å; F180-Y191 WeakPolarHBondContact O-CE1 3.26Å; F180-Y191 PolarHBondContact O-OH 3.01Å; I183-Y191 HydrophobicContact CD1-CD1 4Å; I183-Y191 HydrophobicContact CD1-CE1 4.14Å; N186-Y191 PolarHBondContact ND2-O 3.09Å; N186-Y191 WeakPolarHBondContact OD1-CB 3.48Å; N186-Y191 PolarHBondContact OD1-N 2.81Å; Y191-A193 HydrophobicContact CE1-CB 4.2Å; Y191-G196 WeakPolarHBondContact OH-CA 3.32Å; Y191-F198 HydrophobicContact CD2-CB 4.31Å; Y191-F281 HydrophobicContact CE2-CD1 4.38Å |
| 192 | N | 95.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 52.8 Ų | 52.8 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 107.9 | 177.8 | -178.2 | -26.7 | 0 | 0 | 0 | 110.7 | S194 S195 G196 K197 | N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3Å; N192-S194 WeakPolarHBondContact OD1-CA 3.42Å; N192-S194 WeakPolarHBondContact OD1-CB 3.4Å; N192-S194 PolarHBondContact OD1-N 3.44Å; N192-S195 WeakPolarHBondContact CB-OG 3.18Å; N192-S195 PolarHBondContact O-N 3.12Å; N192-S195 PolarHBondContact O-OG 3.21Å; N192-S195 PolarHBondContact OD1-N 2.96Å; N192-G196 PolarHBondContact O-N 2.82Å; N192-K197 PolarHBondContact N-O 2.89Å; N192-K197 PolarHBondContact O-N 2.95Å |
| 193 | A | 92.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N179 I183 Y191 | N179-A193 PolarHBondContact ND2-O 3.11Å; I183-A193 HydrophobicContact CD1-CB 4.12Å; Y191-A193 HydrophobicContact CE1-CB 4.2Å |
| 194 | S | 91.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 44.6 Ų | 44.6 | 73% | 0.734 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -30.5 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | N179 N192 | N179-S194 PolarHBondContact ND2-O 2.85Å; N192-S194 VanDerWaalsContact C-N 3.27Å; N192-S194 PolarHBondContact O-N 3Å; N192-S194 WeakPolarHBondContact OD1-CA 3.42Å; N192-S194 WeakPolarHBondContact OD1-CB 3.4Å; N192-S194 PolarHBondContact OD1-N 3.44Å |
| 195 | S | 94.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -16 | 178.4 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | P177 N192 K197 | P177-S195 VanDerWaalsContact CB-O 3.25Å; P177-S195 WeakPolarHBondContact CB-O 3.28Å; N192-S195 WeakPolarHBondContact CB-OG 3.18Å; N192-S195 PolarHBondContact O-N 3.12Å; N192-S195 PolarHBondContact O-OG 3.21Å; N192-S195 PolarHBondContact OD1-N 2.96Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 3.27Å; S195-K197 PolarHBondContact OG-N 2.77Å |
| 196 | G | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I178 Y191 N192 W259 | I178-G196 VanDerWaalsContact O-CA 3.32Å; I178-G196 WeakPolarHBondContact O-CA 3.44Å; Y191-G196 WeakPolarHBondContact OH-CA 3.32Å; N192-G196 PolarHBondContact O-N 2.82Å; G196-W259 WeakPolarHBondContact O-CB 3.45Å |
| 197 | K | 98.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 40 Ų | 40 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.1 | -170.9 | -58.4 | -173.6 | 172 | -176.7 | 0 | 112.5 | P177 N192 S195 Q257 W259 | P177-K197 HydrophobicContact CB-CG 4.35Å; P177-K197 HydrophobicContact CG-CG 4.37Å; N192-K197 PolarHBondContact N-O 2.89Å; N192-K197 PolarHBondContact O-N 2.95Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 3.27Å; S195-K197 PolarHBondContact OG-N 2.77Å; K197-Q257 VanDerWaalsContact CD-OE1 3.27Å; K197-W259 HydrophobicContact CB-CB 4.44Å; K197-W259 HydrophobicContact CD-CE3 4.25Å; K197-W259 HydrophobicContact CG-CB 3.99Å; K197-W259 HydrophobicContact CG-CD2 4.41Å; K197-W259 HydrophobicContact CG-CE3 4.39Å; K197-W259 HydrophobicContact CG-CG 4.28Å |
| 198 | F | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.2 | 158.7 | 175 | -98.8 | 0 | 0 | 0 | 109.5 | S161 F163 H190 Y191 C200 Y206 F208 L252 Q257 V258 | S161-F198 WeakPolarHBondContact OG-CZ 3.26Å; F163-F198 HydrophobicContact CD1-CB 4.35Å; F163-F198 AromaticContact CD1-CD2 3.3Å; F163-F198 HydrophobicContact CD1-CD2 3.3Å; F163-F198 AromaticContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CE2 3.83Å; F163-F198 HydrophobicContact CD1-CG 4.05Å; F163-F198 HydrophobicContact CE1-CB 3.71Å; F163-F198 HydrophobicContact CE1-CD1 4.48Å; F163-F198 AromaticContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CD2 3.32Å; F163-F198 HydrophobicContact CE1-CE2 4.03Å; F163-F198 AromaticContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CE1-CG 3.58Å; F163-F198 HydrophobicContact CG-CD2 4.33Å; F163-F198 HydrophobicContact CZ-CB 3.98Å; F163-F198 HydrophobicContact CZ-CD2 4.37Å; F163-F198 HydrophobicContact CZ-CG 4.34Å; H190-F198 HydrophobicContact CB-CD2 3.94Å; H190-F198 HydrophobicContact CB-CE2 3.43Å; H190-F198 VanDerWaalsContact CB-CE2 3.43Å; H190-F198 HydrophobicContact CB-CZ 4.18Å; Y191-F198 HydrophobicContact CD2-CB 4.31Å; F198-C200 HydrophobicContact CE1-CB 4.08Å; F198-Y206 HydrophobicContact CE1-CD1 4.27Å; F198-Y206 HydrophobicContact CE1-CE1 4.04Å; F198-Y206 HydrophobicContact CE2-CE1 4.49Å; F198-Y206 HydrophobicContact CZ-CD1 4.06Å; F198-Y206 AromaticContact CZ-CE1 3.52Å; F198-Y206 HydrophobicContact CZ-CE1 3.52Å; F198-F208 AromaticContact CD1-CE1 3.99Å; F198-F208 HydrophobicContact CD1-CE1 3.99Å; F198-F208 AromaticContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CE1-CE1 4.48Å; F198-F208 HydrophobicContact CE1-CZ 4.02Å; F198-F208 HydrophobicContact CG-CE1 4.26Å; F198-L252 HydrophobicContact CD1-CD1 4.32Å; F198-L252 HydrophobicContact CE1-CD1 3.83Å; F198-Q257 CarbonylContact O-C 3.59Å; F198-Q257 VanDerWaalsContact O-CA 3.28Å; F198-Q257 WeakPolarHBondContact O-CA 3.32Å; F198-V258 HydrophobicContact CD1-CB 4.36Å; F198-V258 PolarHBondContact N-O 2.99Å; F198-V258 PolarHBondContact O-N 3.5Å |
| 199 | V | 98.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.1 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | H190 Q201 D256 Q257 | H190-V199 WeakPolarHBondContact CB-O 3.44Å; H190-V199 PolarHBondContact O-N 2.83Å; V199-Q201 PolarHBondContact O-N 2.76Å; V199-D256 WeakPolarHBondContact CA-O 3.41Å; V199-Q257 HydrophobicContact CG2-CG 4.31Å |
| 200 | C | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -64.6 | 119.2 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | F198 I202 L252 K253 S255 D256 | F198-C200 HydrophobicContact CE1-CB 4.08Å; C200-I202 VanDerWaalsContact SG-C 3.59Å; C200-I202 PolarHBondContact SG-O 2.81Å; C200-L252 HydrophobicContact CB-CB 4.09Å; C200-L252 HydrophobicContact CB-CD1 4.14Å; C200-K253 VanDerWaalsContact CB-O 3.31Å; C200-K253 WeakPolarHBondContact CB-O 3.36Å; C200-K253 PolarHBondContact SG-O 3.15Å; C200-S255 WeakPolarHBondContact O-CA 3.42Å; C200-S255 PolarHBondContact O-N 2.86Å; C200-D256 HydrophobicContact CB-CB 4.21Å; C200-D256 WeakPolarHBondContact CB-O 3.33Å; C200-D256 PolarHBondContact N-O 3.4Å | ||
| 201 | Q | 94.7 | Very high | 96.5 | Very high | 79 Ų | 79 | 31.3 Ų | 31.3 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -100.9 | -24 | 169.5 | -64.3 | -60.1 | -28.2 | 0 | 0 | 112.6 | H190 V199 | H190-Q201 WeakPolarHBondContact CD2-CG 3.33Å; H190-Q201 WeakPolarHBondContact NE2-CB 3.26Å; H190-Q201 WeakPolarHBondContact NE2-CG 3.25Å; V199-Q201 PolarHBondContact O-N 2.76Å |
| 202 | I | 94.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -116.7 | 108.1 | -177 | -57.6 | 176.9 | 0 | 0 | 0 | 107.8 | A159 C200 Y206 L285 A288 F292 | A159-I202 HydrophobicContact CB-CD1 3.95Å; A159-I202 HydrophobicContact CB-CG2 3.87Å; C200-I202 VanDerWaalsContact SG-C 3.59Å; C200-I202 PolarHBondContact SG-O 2.81Å; I202-Y206 VanDerWaalsContact O-CE2 3.27Å; I202-Y206 WeakPolarHBondContact O-CE2 3.49Å; I202-Y206 PolarHBondContact O-OH 3.16Å; I202-L285 HydrophobicContact CB-CD2 4.43Å; I202-L285 HydrophobicContact CG2-CD2 3.83Å; I202-A288 HydrophobicContact CG2-CB 4.1Å; I202-F292 HydrophobicContact CB-CE1 4.38Å; I202-F292 HydrophobicContact CG1-CE1 4.19Å; I202-F292 HydrophobicContact CG1-CZ 4.26Å; I202-F292 HydrophobicContact CG2-CD1 3.98Å; I202-F292 HydrophobicContact CG2-CE1 3.81Å; I202-F292 HydrophobicContact CG2-CZ 4.47Å |
| 203 | P | 95.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 28 Ų | 28 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | trans | -56.1 | 141.3 | 174.3 | -23.2 | 33.4 | 0 | 0 | 0 | 112.2 | L252 Q254 D289 F292 | P203-L252 VanDerWaalsContact CA-O 3.31Å; P203-L252 WeakPolarHBondContact CA-O 3.13Å; P203-Q254 HydrophobicContact CG-CB 4.03Å; P203-D289 HydrophobicContact CB-CB 4.25Å; P203-D289 VanDerWaalsContact CB-OD2 3.26Å; P203-D289 WeakPolarHBondContact CB-OD2 3.36Å; P203-D289 PolarHBondContact O-N 2.78Å; P203-F292 HydrophobicContact CG-CD2 4.22Å | ||
| 204 | G | 95.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -165.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y206 N251 L252 Y287 D289 | G204-Y206 WeakPolarHBondContact O-CD2 3.25Å; G204-N251 WeakPolarHBondContact O-CA 3.4Å; G204-N251 PolarHBondContact O-OD1 3.35Å; G204-N251 VanDerWaalsContact O-OD1 3.12Å; G204-L252 PolarHBondContact N-O 2.89Å; G204-L252 PolarHBondContact O-N 2.96Å; G204-Y287 CarbonylContact C-O 3.52Å; G204-Y287 VanDerWaalsContact CA-O 3.26Å; G204-Y287 WeakPolarHBondContact CA-O 3.31Å; G204-D289 WeakPolarHBondContact CA-OD1 3.31Å |
| 205 | V | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 24% | 0.242 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.9 | -177 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | V249 I286 Y287 | V205-V249 HydrophobicContact CG1-CG1 3.29Å; V205-I286 HydrophobicContact CG1-CD1 4.18Å; V205-I286 WeakPolarHBondContact O-CB 3.24Å; V205-I286 PolarHBondContact O-N 3.04Å; V205-Y287 HydrophobicContact CB-CD2 4.49Å; V205-Y287 PolarHBondContact N-O 2.86Å; V205-Y287 PolarHBondContact O-N 3.4Å |
| 206 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.7 | -178.7 | -75 | -98.9 | 0 | 0 | 0 | 111.7 | S161 F198 I202 G204 F208 V249 L250 L252 F284 L285 | S161-Y206 WeakPolarHBondContact OG-CE1 3.46Å; F198-Y206 HydrophobicContact CE1-CD1 4.27Å; F198-Y206 HydrophobicContact CE1-CE1 4.04Å; F198-Y206 HydrophobicContact CE2-CE1 4.49Å; F198-Y206 HydrophobicContact CZ-CD1 4.06Å; F198-Y206 AromaticContact CZ-CE1 3.52Å; F198-Y206 HydrophobicContact CZ-CE1 3.52Å; I202-Y206 VanDerWaalsContact O-CE2 3.27Å; I202-Y206 WeakPolarHBondContact O-CE2 3.49Å; I202-Y206 PolarHBondContact O-OH 3.16Å; G204-Y206 WeakPolarHBondContact O-CD2 3.25Å; Y206-F208 VanDerWaalsContact CB-CE2 3.43Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.25Å; Y206-F208 HydrophobicContact CG-CZ 4.35Å; Y206-V249 CarbonylContact O-C 3.58Å; Y206-V249 VanDerWaalsContact O-CA 3.25Å; Y206-V249 WeakPolarHBondContact O-CA 3.42Å; Y206-L250 PolarHBondContact N-O 2.81Å; Y206-L250 PolarHBondContact O-N 2.91Å; Y206-L252 HydrophobicContact CD2-CB 3.92Å; Y206-L252 HydrophobicContact CD2-CD1 3.68Å; Y206-L252 HydrophobicContact CD2-CG 3.83Å; Y206-L252 HydrophobicContact CE2-CB 4.12Å; Y206-L252 HydrophobicContact CE2-CD1 4.16Å; Y206-L252 HydrophobicContact CE2-CG 4.45Å; Y206-L252 HydrophobicContact CG-CD1 3.89Å; Y206-L252 HydrophobicContact CG-CG 4.37Å; Y206-F284 WeakPolarHBondContact CA-O 3.34Å; Y206-L285 HydrophobicContact CD1-CB 4.18Å; Y206-L285 HydrophobicContact CD2-CD1 4.06Å; Y206-L285 HydrophobicContact CE1-CB 3.71Å; Y206-L285 HydrophobicContact CE1-CD1 4.14Å; Y206-L285 HydrophobicContact CE2-CD1 3.57Å |
| 207 | Y | 98.7 | Very high | 96.4 | Very high | 69 Ų | 69 | 30 Ų | 30 | 27% | 0.271 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134 | 164.7 | -175.8 | -106.6 | 0 | 0 | 0 | 109.4 | T209 S247 V249 G283 F284 | Y207-T209 HydrophobicContact CE1-CG2 3.9Å; Y207-S247 WeakPolarHBondContact OH-CB 3.36Å; Y207-S247 PolarHBondContact OH-OG 2.83Å; Y207-S247 VanDerWaalsContact OH-OG 3.14Å; Y207-V249 HydrophobicContact CD2-CG2 3.95Å; Y207-G283 CarbonylContact O-C 3.52Å; Y207-G283 WeakPolarHBondContact O-CA 3.47Å; Y207-F284 HydrophobicContact CD1-CD1 4.44Å; Y207-F284 AromaticContact CD1-CE1 3.55Å; Y207-F284 HydrophobicContact CD1-CE1 3.55Å; Y207-F284 AromaticContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CE1-CE1 4.38Å; Y207-F284 HydrophobicContact CG-CE1 4.33Å; Y207-F284 HydrophobicContact CG-CZ 4.09Å; Y207-F284 PolarHBondContact N-O 2.99Å; Y207-F284 PolarHBondContact O-N 2.81Å |
| 208 | F | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.4 | 171.9 | -67.7 | -85.5 | 0 | 0 | 0 | 109.8 | F163 F198 Y206 L223 S247 T248 L250 L252 V258 F281 T282 | F163-F208 HydrophobicContact CE1-CD1 4.25Å; F163-F208 AromaticContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CE1-CE1 3.77Å; F163-F208 HydrophobicContact CZ-CD1 4.12Å; F163-F208 AromaticContact CZ-CE1 3.99Å; F163-F208 HydrophobicContact CZ-CE1 3.99Å; F198-F208 AromaticContact CD1-CE1 3.99Å; F198-F208 HydrophobicContact CD1-CE1 3.99Å; F198-F208 AromaticContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CD1-CZ 3.82Å; F198-F208 HydrophobicContact CE1-CE1 4.48Å; F198-F208 HydrophobicContact CE1-CZ 4.02Å; F198-F208 HydrophobicContact CG-CE1 4.26Å; Y206-F208 VanDerWaalsContact CB-CE2 3.43Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.25Å; Y206-F208 HydrophobicContact CG-CZ 4.35Å; F208-L223 HydrophobicContact CB-CD1 4.17Å; F208-L223 HydrophobicContact CB-CD2 4.28Å; F208-S247 CarbonylContact O-C 3.6Å; F208-S247 WeakPolarHBondContact O-CA 3.44Å; F208-S247 VanDerWaalsContact O-CB 3.27Å; F208-S247 WeakPolarHBondContact O-CB 3.25Å; F208-T248 PolarHBondContact N-O 2.99Å; F208-T248 PolarHBondContact O-N 2.97Å; F208-L250 HydrophobicContact CD2-CB 4.45Å; F208-L250 HydrophobicContact CD2-CD1 3.98Å; F208-L250 HydrophobicContact CD2-CG 4.25Å; F208-L250 HydrophobicContact CE2-CB 4.3Å; F208-L250 HydrophobicContact CE2-CD1 4.07Å; F208-L250 HydrophobicContact CE2-CG 4.48Å; F208-L252 HydrophobicContact CE2-CD1 3.84Å; F208-L252 HydrophobicContact CZ-CD1 3.74Å; F208-V258 HydrophobicContact CD1-CG1 4.05Å; F208-V258 HydrophobicContact CD2-CG1 4.41Å; F208-V258 HydrophobicContact CE1-CB 3.99Å; F208-V258 HydrophobicContact CE1-CG1 3.84Å; F208-V258 HydrophobicContact CE1-CG2 4.42Å; F208-V258 HydrophobicContact CE2-CB 4.47Å; F208-V258 HydrophobicContact CE2-CG1 4.24Å; F208-V258 HydrophobicContact CE2-CG2 4.1Å; F208-V258 HydrophobicContact CG-CG1 4.32Å; F208-V258 HydrophobicContact CZ-CB 3.9Å; F208-V258 HydrophobicContact CZ-CG1 3.97Å; F208-V258 HydrophobicContact CZ-CG2 3.81Å; F208-F281 HydrophobicContact CB-CE2 4.37Å; F208-F281 AromaticContact CD1-CE2 3.89Å; F208-F281 HydrophobicContact CD1-CE2 3.89Å; F208-F281 AromaticContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CE1-CZ 4.39Å; F208-T282 WeakPolarHBondContact CA-O 3.45Å |
| 209 | T | 98.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.1 | 175.7 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | Y207 G246 F281 T282 | Y207-T209 HydrophobicContact CE1-CG2 3.9Å; T209-G246 CarbonylContact C-O 3.52Å; T209-G246 WeakPolarHBondContact CA-O 3.13Å; T209-F281 WeakPolarHBondContact O-CD2 3.49Å; T209-T282 HydrophobicContact CG2-CG2 4.34Å; T209-T282 PolarHBondContact N-O 3.45Å; T209-T282 PolarHBondContact O-N 3.45Å |
| 210 | Y | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.1 | 172.7 | 51.5 | -90.7 | 0 | 0 | 0 | 110.3 | I212 I221 L223 I231 T233 S245 G246 L260 T280 | Y210-I212 HydrophobicContact CD2-CG1 3.86Å; Y210-I221 HydrophobicContact CE2-CG2 4.04Å; Y210-L223 HydrophobicContact CD1-CD1 4.4Å; Y210-L223 HydrophobicContact CE1-CB 4.18Å; Y210-L223 HydrophobicContact CE1-CD1 4.36Å; Y210-I231 HydrophobicContact CE1-CD1 4.26Å; Y210-I231 VanDerWaalsContact OH-CG2 3.26Å; Y210-I231 WeakPolarHBondContact OH-CG2 3.26Å; Y210-T233 PolarHBondContact OH-OG1 3.34Å; Y210-S245 WeakPolarHBondContact O-CA 3.49Å; Y210-S245 WeakPolarHBondContact O-CB 3.41Å; Y210-G246 VanDerWaalsContact CD1-O 3.26Å; Y210-G246 WeakPolarHBondContact CD1-O 3.46Å; Y210-G246 WeakPolarHBondContact CE1-O 3.49Å; Y210-G246 PolarHBondContact N-O 3.03Å; Y210-G246 PolarHBondContact O-N 3.42Å; Y210-G246 VanDerWaalsContact O-N 3.09Å; Y210-L260 HydrophobicContact CD1-CD1 4.05Å; Y210-L260 HydrophobicContact CD1-CD2 3.58Å; Y210-L260 HydrophobicContact CD1-CG 4.38Å; Y210-L260 HydrophobicContact CE1-CD2 3.69Å; Y210-L260 HydrophobicContact CG-CD1 3.86Å; Y210-L260 HydrophobicContact CG-CD2 4.03Å; Y210-T280 VanDerWaalsContact CA-O 3.24Å; Y210-T280 WeakPolarHBondContact CA-O 3.26Å; Y210-T280 VanDerWaalsContact CB-O 3.25Å; Y210-T280 WeakPolarHBondContact CB-O 3.39Å |
| 211 | D | 97.8 | Very high | 96 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 35% | 0.353 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 114.1 | 176.8 | -58.9 | -70.3 | 0 | 0 | 0 | 107 | S245 S279 T280 | D211-S245 VanDerWaalsContact OD1-CB 3.28Å; D211-S245 WeakPolarHBondContact OD1-CB 3.49Å; D211-S245 PolarHBondContact OD1-OG 3.23Å; D211-S279 CarbonylContact O-C 3.54Å; D211-S279 VanDerWaalsContact O-CA 3.23Å; D211-S279 WeakPolarHBondContact O-CA 3.23Å; D211-T280 PolarHBondContact N-O 2.93Å; D211-T280 VanDerWaalsContact N-O 3.11Å; D211-T280 PolarHBondContact O-N 3.2Å |
| 212 | I | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.9 | -170.8 | -54.1 | -61.7 | 0 | 0 | 0 | 109.1 | F180 Y210 L219 I221 V243 A244 L270 | F180-I212 HydrophobicContact CE1-CD1 4.39Å; F180-I212 HydrophobicContact CZ-CD1 4.34Å; Y210-I212 HydrophobicContact CD2-CG1 3.86Å; I212-L219 HydrophobicContact CB-CD2 3.95Å; I212-L219 HydrophobicContact CG2-CD1 4.22Å; I212-L219 HydrophobicContact CG2-CD2 3.63Å; I212-I221 HydrophobicContact CD1-CD1 4.03Å; I212-I221 HydrophobicContact CG1-CD1 3.92Å; I212-V243 WeakPolarHBondContact O-CA 3.36Å; I212-A244 PolarHBondContact N-O 3.42Å; I212-A244 PolarHBondContact O-N 3.05Å; I212-L270 HydrophobicContact CD1-CD1 4.2Å; I212-L270 HydrophobicContact CG2-CB 4.21Å; I212-L270 HydrophobicContact CG2-CD1 3.84Å; I212-L270 HydrophobicContact CG2-CG 3.74Å |
| 213 | T | 95.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 8% | 0.08 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.7 | 167.6 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | D242 F271 T277 D278 S279 | T213-D242 WeakPolarHBondContact CA-O 3.36Å; T213-F271 HydrophobicContact CG2-CD1 4.49Å; T213-F271 PolarHBondContact O-N 3.44Å; T213-T277 HydrophobicContact CG2-CG2 3.91Å; T213-D278 PolarHBondContact OG1-O 3.42Å; T213-S279 PolarHBondContact N-OG 3.33Å |
| 214 | L | 94 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.7 | 174.8 | 63.6 | 137.3 | 0 | 0 | 0 | 113.3 | L219 D235 N237 H241 D242 A244 G269 | L214-L219 HydrophobicContact CB-CB 4.13Å; L214-L219 HydrophobicContact CB-CD2 4.44Å; L214-L219 HydrophobicContact CD1-CB 3.98Å; L214-L219 HydrophobicContact CD2-CB 4.27Å; L214-L219 HydrophobicContact CD2-CD2 4.02Å; L214-L219 HydrophobicContact CG-CB 4.37Å; L214-D235 HydrophobicContact CD1-CB 4.04Å; L214-D235 HydrophobicContact CD2-CB 3.83Å; L214-N237 HydrophobicContact CD1-CB 3.95Å; L214-H241 WeakPolarHBondContact O-CA 3.5Å; L214-D242 HydrophobicContact CD1-CB 4.46Å; L214-D242 HydrophobicContact CD2-CB 4.1Å; L214-D242 HydrophobicContact CG-CB 4.1Å; L214-D242 PolarHBondContact N-O 2.84Å; L214-D242 PolarHBondContact O-N 3.05Å; L214-D242 VanDerWaalsContact O-N 3.16Å; L214-A244 HydrophobicContact CD2-CB 3.84Å; L214-G269 CarbonylContact C-O 3.43Å; L214-G269 WeakPolarHBondContact CA-O 3.5Å; L214-G269 WeakPolarHBondContact CB-O 3.4Å |
| 215 | A | 93.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -147.8 | 149.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K217 N237 H241 G269 F271 | A215-K217 PolarHBondContact O-N 2.72Å; A215-N237 WeakPolarHBondContact CA-ND2 3.23Å; A215-H241 VanDerWaalsContact CB-ND1 3.32Å; A215-H241 WeakPolarHBondContact CB-ND1 3.32Å; A215-G269 PolarHBondContact N-O 3.28Å; A215-F271 HydrophobicContact CB-CB 3.63Å; A215-F271 HydrophobicContact CB-CD1 4.02Å; A215-F271 HydrophobicContact CB-CD2 3.74Å; A215-F271 HydrophobicContact CB-CE2 4.42Å; A215-F271 HydrophobicContact CB-CG 3.51Å | ||
| 216 | N | 91.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 28.1 Ų | 28.1 | 67% | 0.674 | 14% | 0.139 | S | C | * | . | S | Bend | trans | 61.5 | -28.5 | 175 | -51.2 | -65.1 | 0 | 0 | 0 | 117.6 | Y171 N237 | Y171-N216 PolarHBondContact OH-ND2 2.94Å; N216-N237 PolarHBondContact N-ND2 2.82Å |
| 217 | K | 92.5 | Very high | 96.4 | Very high | 89 Ų | 89 | 30.5 Ų | 30.5 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -131.1 | 158.9 | 177.8 | -58.5 | -178 | 178.8 | -175.3 | 0 | 110.3 | A215 N237 G269 | A215-K217 PolarHBondContact O-N 2.72Å; K217-N237 WeakPolarHBondContact O-CB 3.47Å; K217-G269 WeakPolarHBondContact O-CA 3.28Å |
| 218 | H | 94.5 | Very high | 96.3 | Very high | 89 Ų | 89 | 33.4 Ų | 33.4 | 41% | 0.412 | 18% | 0.18 | S | C | . | . | trans | -64.3 | 157.8 | 168.2 | -50.6 | -46.2 | 0 | 0 | 0 | 110.7 | D235 N237 Q267 N268 G269 | H218-D235 CarbonylContact C-O 3.54Å; H218-D235 WeakPolarHBondContact CA-O 3.23Å; H218-D235 WeakPolarHBondContact CB-O 3.49Å; H218-N237 PolarHBondContact CE1-O 2.85Å; H218-N237 PolarHBondContact ND1-N 2.8Å; H218-N237 VanDerWaalsContact ND1-N 3.15Å; H218-N237 PolarHBondContact ND1-O 2.85Å; H218-Q267 HydrophobicContact CB-CB 4.38Å; H218-Q267 HydrophobicContact CB-CG 4.18Å; H218-Q267 CarbonylContact O-C 3.46Å; H218-Q267 WeakPolarHBondContact O-CA 3.28Å; H218-N268 PolarHBondContact O-N 3.04Å; H218-G269 WeakPolarHBondContact O-CA 3.39Å; H218-G269 PolarHBondContact O-N 2.83Å | ||
| 219 | L | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.3 | 179.3 | -177.8 | 71.8 | 0 | 0 | 0 | 110.5 | I212 L214 I221 F234 D235 A244 I262 Q267 L270 | I212-L219 HydrophobicContact CB-CD2 3.95Å; I212-L219 HydrophobicContact CG2-CD1 4.22Å; I212-L219 HydrophobicContact CG2-CD2 3.63Å; L214-L219 HydrophobicContact CB-CB 4.13Å; L214-L219 HydrophobicContact CB-CD2 4.44Å; L214-L219 HydrophobicContact CD1-CB 3.98Å; L214-L219 HydrophobicContact CD2-CB 4.27Å; L214-L219 HydrophobicContact CD2-CD2 4.02Å; L214-L219 HydrophobicContact CG-CB 4.37Å; L219-I221 HydrophobicContact CD1-CB 4.26Å; L219-I221 HydrophobicContact CD2-CG2 3.97Å; L219-I221 HydrophobicContact CG-CB 4.28Å; L219-I221 HydrophobicContact CG-CG2 4.15Å; L219-F234 VanDerWaalsContact O-CA 3.32Å; L219-F234 WeakPolarHBondContact O-CA 3.02Å; L219-D235 HydrophobicContact CB-CB 4.26Å; L219-D235 PolarHBondContact N-O 3.11Å; L219-D235 PolarHBondContact O-N 2.92Å; L219-A244 HydrophobicContact CD2-CB 3.7Å; L219-I262 HydrophobicContact CD1-CD1 3.82Å; L219-Q267 CarbonylContact C-O 3.5Å; L219-Q267 WeakPolarHBondContact CA-O 3.47Å; L219-L270 HydrophobicContact CD1-CB 4.16Å |
| 220 | A | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 93 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T233 F234 I262 F263 Y264 Q267 | A220-T233 WeakPolarHBondContact CA-O 3.28Å; A220-F234 HydrophobicContact CB-CD1 4.05Å; A220-F234 HydrophobicContact CB-CE1 4.16Å; A220-I262 WeakPolarHBondContact O-CA 3.32Å; A220-F263 VanDerWaalsContact C-CE1 3.42Å; A220-F263 HydrophobicContact CB-CD1 4.39Å; A220-F263 HydrophobicContact CB-CD2 4.4Å; A220-F263 HydrophobicContact CB-CE1 3.9Å; A220-F263 HydrophobicContact CB-CE2 3.92Å; A220-F263 HydrophobicContact CB-CZ 3.64Å; A220-F263 WeakPolarHBondContact O-CD1 3.49Å; A220-F263 WeakPolarHBondContact O-CE1 3.42Å; A220-F263 PolarHBondContact O-N 3.43Å; A220-Y264 HydrophobicContact CB-CD2 3.9Å; A220-Q267 HydrophobicContact CB-CB 3.63Å; A220-Q267 HydrophobicContact CB-CG 4.46Å; A220-Q267 PolarHBondContact N-O 2.98Å |
| 221 | I | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.6 | -177.6 | -166.2 | 172.7 | 0 | 0 | 0 | 110.6 | I178 Y210 I212 L219 T233 L260 I262 L270 | I178-I221 HydrophobicContact CD1-CD1 3.7Å; I178-I221 HydrophobicContact CD1-CG1 4.12Å; Y210-I221 HydrophobicContact CE2-CG2 4.04Å; I212-I221 HydrophobicContact CD1-CD1 4.03Å; I212-I221 HydrophobicContact CG1-CD1 3.92Å; L219-I221 HydrophobicContact CD1-CB 4.26Å; L219-I221 HydrophobicContact CD2-CG2 3.97Å; L219-I221 HydrophobicContact CG-CB 4.28Å; L219-I221 HydrophobicContact CG-CG2 4.15Å; I221-T233 PolarHBondContact N-O 2.86Å; I221-T233 PolarHBondContact O-N 3.49Å; I221-L260 HydrophobicContact CD1-CB 4.09Å; I221-L260 HydrophobicContact CD1-CD1 4.16Å; I221-L260 HydrophobicContact CD1-CD2 4.25Å; I221-L260 HydrophobicContact CD1-CG 4.42Å; I221-L260 HydrophobicContact CG1-CB 4.34Å; I221-L260 HydrophobicContact CG1-CD2 4.26Å; I221-I262 HydrophobicContact CB-CD1 3.96Å; I221-I262 HydrophobicContact CD1-CD1 4.37Å; I221-I262 HydrophobicContact CG1-CD1 4.04Å; I221-L270 HydrophobicContact CD1-CD1 4.45Å |
| 222 | G | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I231 L260 Q261 | G222-I231 CarbonylContact C-O 3.59Å; G222-I231 WeakPolarHBondContact CA-O 3.45Å; G222-L260 WeakPolarHBondContact O-CA 3.36Å; G222-Q261 PolarHBondContact N-O 3.38Å; G222-Q261 PolarHBondContact O-N 3.01Å |
| 223 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.2 | 164.6 | -170.6 | 92.5 | 0 | 0 | 0 | 108.3 | F208 Y210 Y229 K230 I231 T248 L250 V258 L260 F281 | F208-L223 HydrophobicContact CB-CD1 4.17Å; F208-L223 HydrophobicContact CB-CD2 4.28Å; Y210-L223 HydrophobicContact CD1-CD1 4.4Å; Y210-L223 HydrophobicContact CE1-CB 4.18Å; Y210-L223 HydrophobicContact CE1-CD1 4.36Å; L223-Y229 WeakPolarHBondContact O-CA 3.2Å; L223-K230 HydrophobicContact CD2-CB 4.36Å; L223-K230 PolarHBondContact O-N 2.88Å; L223-I231 HydrophobicContact CB-CB 4.03Å; L223-I231 HydrophobicContact CB-CD1 4.36Å; L223-I231 HydrophobicContact CB-CG1 4.22Å; L223-I231 HydrophobicContact CD2-CD1 4.24Å; L223-I231 HydrophobicContact CD2-CG1 4.34Å; L223-I231 PolarHBondContact N-O 2.92Å; L223-I231 PolarHBondContact O-N 3Å; L223-T248 HydrophobicContact CD2-CG2 3.56Å; L223-L250 HydrophobicContact CD2-CD1 4.03Å; L223-V258 HydrophobicContact CD1-CG1 3.95Å; L223-V258 HydrophobicContact CD2-CG1 4.36Å; L223-V258 HydrophobicContact CG-CG1 4.08Å; L223-L260 HydrophobicContact CB-CD2 4.05Å; L223-L260 HydrophobicContact CD1-CD2 3.89Å; L223-L260 HydrophobicContact CD1-CG 4.4Å; L223-F281 HydrophobicContact CD1-CE2 3.63Å; L223-F281 HydrophobicContact CD1-CZ 3.89Å |
| 224 | V | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.1 | -175.6 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | G227 Q228 Y229 V258 W259 Q261 | V224-G227 VanDerWaalsContact CG1-C 3.48Å; V224-G227 VanDerWaalsContact CG1-CA 3.48Å; V224-Q228 CarbonylContact C-O 3.6Å; V224-Q228 WeakPolarHBondContact CA-O 3.36Å; V224-Y229 HydrophobicContact CG2-CD1 3.6Å; V224-Y229 HydrophobicContact CG2-CE1 3.6Å; V224-Y229 HydrophobicContact CG2-CG 4.38Å; V224-V258 VanDerWaalsContact O-CA 3.26Å; V224-V258 WeakPolarHBondContact O-CA 3.13Å; V224-W259 HydrophobicContact CB-CD2 3.97Å; V224-W259 HydrophobicContact CB-CE3 4.43Å; V224-W259 HydrophobicContact CB-CG 4.43Å; V224-W259 HydrophobicContact CB-CH2 4.39Å; V224-W259 HydrophobicContact CB-CZ2 3.9Å; V224-W259 HydrophobicContact CG1-CD2 4.22Å; V224-W259 HydrophobicContact CG1-CE3 4.41Å; V224-W259 HydrophobicContact CG1-CH2 3.59Å; V224-W259 HydrophobicContact CG1-CZ2 3.3Å; V224-W259 HydrophobicContact CG1-CZ3 4.12Å; V224-W259 PolarHBondContact N-O 2.94Å; V224-W259 PolarHBondContact O-N 2.96Å; V224-Q261 HydrophobicContact CG2-CG 3.7Å |
| 225 | H | 98.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 11% | 0.111 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119 | 171.6 | 165.8 | -142.4 | 0 | 0 | 0 | 108.4 | G227 Q228 K230 L250 D256 Q257 V258 | H225-G227 PolarHBondContact O-N 2.81Å; H225-G227 VanDerWaalsContact O-N 3.09Å; H225-Q228 PolarHBondContact N-O 2.88Å; H225-Q228 PolarHBondContact O-N 2.88Å; H225-K230 HydrophobicContact CB-CD 4.34Å; H225-K230 HydrophobicContact CB-CG 3.71Å; H225-K230 WeakPolarHBondContact ND1-CE 3.37Å; H225-L250 HydrophobicContact CB-CD1 4.19Å; H225-D256 IonicContact CE1-OD2 3.94Å; H225-D256 IonicContact NE2-OD2 3.69Å; H225-D256 PolarHBondContact NE2-OD2 2.92Å; H225-Q257 WeakPolarHBondContact CA-O 3.5Å; H225-V258 HydrophobicContact CB-CG2 4.39Å |
| 226 | N | 97.3 | Very high | 95.9 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 39.5 | -178.5 | -67.5 | -11.1 | 0 | 0 | 0 | 114 | Q228 D256 Q257 | N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.92Å; N226-D256 PolarHBondContact ND2-OD1 2.77Å; N226-Q257 PolarHBondContact N-O 3.09Å; N226-Q257 PolarHBondContact OD1-N 3.25Å; N226-Q257 PolarHBondContact OD1-O 2.93Å |
| 227 | G | 95.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V224 H225 W259 | V224-G227 VanDerWaalsContact CG1-C 3.48Å; V224-G227 VanDerWaalsContact CG1-CA 3.48Å; H225-G227 PolarHBondContact O-N 2.81Å; H225-G227 VanDerWaalsContact O-N 3.09Å; G227-W259 VanDerWaalsContact N-CH2 3.27Å |
| 228 | Q | 96.8 | Very high | 95.2 | Very high | 130 Ų | 130 | 51.2 Ų | 51.2 | 61% | 0.607 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.6 | 175.5 | -63.7 | -173 | -12.3 | 0 | 0 | 111.7 | V224 H225 N226 K230 | V224-Q228 CarbonylContact C-O 3.6Å; V224-Q228 WeakPolarHBondContact CA-O 3.36Å; H225-Q228 PolarHBondContact N-O 2.88Å; H225-Q228 PolarHBondContact O-N 2.88Å; N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.92Å; Q228-K230 PolarHBondContact O-N 2.82Å |
| 229 | Y | 96.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 50 Ų | 50 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.8 | 173.2 | -64.7 | -80.4 | 0 | 0 | 0 | 110.6 | L223 V224 K232 Q261 F263 | L223-Y229 WeakPolarHBondContact O-CA 3.2Å; V224-Y229 HydrophobicContact CG2-CD1 3.6Å; V224-Y229 HydrophobicContact CG2-CE1 3.6Å; V224-Y229 HydrophobicContact CG2-CG 4.38Å; Y229-K232 HydrophobicContact CD1-CG 4.3Å; Y229-K232 HydrophobicContact CG-CG 4.27Å; Y229-Q261 HydrophobicContact CE1-CG 4.12Å; Y229-Q261 PolarHBondContact OH-NE2 3.16Å; Y229-F263 HydrophobicContact CE1-CB 4.02Å; Y229-F263 HydrophobicContact CE1-CD1 4.08Å; Y229-F263 HydrophobicContact CE1-CG 4.29Å; Y229-F263 WeakPolarHBondContact OH-CB 3.45Å |
| 230 | K | 96.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 39% | 0.391 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -35.2 | 173.2 | -59.5 | -58.1 | -175.2 | -177.4 | 0 | 111.9 | L223 H225 Q228 L250 | L223-K230 HydrophobicContact CD2-CB 4.36Å; L223-K230 PolarHBondContact O-N 2.88Å; H225-K230 HydrophobicContact CB-CD 4.34Å; H225-K230 HydrophobicContact CB-CG 3.71Å; H225-K230 WeakPolarHBondContact ND1-CE 3.37Å; Q228-K230 PolarHBondContact O-N 2.82Å; K230-L250 HydrophobicContact CB-CD2 4.24Å; K230-L250 HydrophobicContact CD-CD2 4.38Å; K230-L250 HydrophobicContact CG-CD1 4.34Å; K230-L250 HydrophobicContact CG-CD2 3.99Å |
| 231 | I | 95.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.7 | 170.6 | -49.8 | 177.1 | 0 | 0 | 0 | 107.9 | Y210 G222 L223 S247 T248 | Y210-I231 HydrophobicContact CE1-CD1 4.26Å; Y210-I231 VanDerWaalsContact OH-CG2 3.26Å; Y210-I231 WeakPolarHBondContact OH-CG2 3.26Å; G222-I231 CarbonylContact C-O 3.59Å; G222-I231 WeakPolarHBondContact CA-O 3.45Å; L223-I231 HydrophobicContact CB-CB 4.03Å; L223-I231 HydrophobicContact CB-CD1 4.36Å; L223-I231 HydrophobicContact CB-CG1 4.22Å; L223-I231 HydrophobicContact CD2-CD1 4.24Å; L223-I231 HydrophobicContact CD2-CG1 4.34Å; L223-I231 PolarHBondContact N-O 2.92Å; L223-I231 PolarHBondContact O-N 3Å; I231-S247 VanDerWaalsContact CD1-C 3.47Å; I231-S247 WeakPolarHBondContact CD1-O 3.38Å; I231-T248 HydrophobicContact CD1-CG2 3.63Å; I231-T248 HydrophobicContact CG1-CG2 3.93Å |
| 232 | K | 96.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 64 Ų | 64 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.6 | 164.2 | -64.5 | -178.2 | -178.6 | 179 | 0 | 107.7 | Y229 F234 F263 | Y229-K232 HydrophobicContact CD1-CG 4.3Å; Y229-K232 HydrophobicContact CG-CG 4.27Å; K232-F234 HydrophobicContact CB-CE2 3.76Å; K232-F234 HydrophobicContact CB-CZ 4.26Å; K232-F263 HydrophobicContact CB-CE1 4.21Å; K232-F263 HydrophobicContact CB-CZ 4.1Å; K232-F263 HydrophobicContact CD-CZ 4.23Å; K232-F263 HydrophobicContact CG-CE1 4.25Å; K232-F263 HydrophobicContact CG-CZ 4.26Å |
| 233 | T | 96.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 13% | 0.129 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.2 | -179.3 | -60.9 | 0 | 0 | 0 | 0 | 108.4 | Y210 A220 I221 A244 | Y210-T233 PolarHBondContact OH-OG1 3.34Å; A220-T233 WeakPolarHBondContact CA-O 3.28Å; I221-T233 PolarHBondContact N-O 2.86Å; I221-T233 PolarHBondContact O-N 3.49Å; T233-A244 HydrophobicContact CG2-CB 4.08Å |
| 234 | F | 95.1 | Very high | 92.8 | Very high | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.504 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131 | -179.2 | -61.1 | -90.7 | 0 | 0 | 0 | 108.4 | L219 A220 K232 F263 Y264 | L219-F234 VanDerWaalsContact O-CA 3.32Å; L219-F234 WeakPolarHBondContact O-CA 3.02Å; A220-F234 HydrophobicContact CB-CD1 4.05Å; A220-F234 HydrophobicContact CB-CE1 4.16Å; K232-F234 HydrophobicContact CB-CE2 3.76Å; K232-F234 HydrophobicContact CB-CZ 4.26Å; F234-F263 HydrophobicContact CD1-CZ 4.16Å; F234-F263 AromaticContact CE1-CE2 3.57Å; F234-F263 HydrophobicContact CE1-CE2 3.57Å; F234-F263 AromaticContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE2-CZ 4.13Å; F234-F263 AromaticContact CZ-CE2 3.67Å; F234-F263 HydrophobicContact CZ-CE2 3.67Å; F234-F263 AromaticContact CZ-CZ 3.35Å; F234-F263 HydrophobicContact CZ-CZ 3.35Å; F234-Y264 HydrophobicContact CE1-CD2 4.29Å; F234-Y264 HydrophobicContact CE1-CE2 4.03Å |
| 235 | D | 95 | Very high | 92.7 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.7 | 175.7 | -159.4 | -38 | 0 | 0 | 0 | 110.3 | L214 H218 L219 A244 | L214-D235 HydrophobicContact CD1-CB 4.04Å; L214-D235 HydrophobicContact CD2-CB 3.83Å; H218-D235 CarbonylContact C-O 3.54Å; H218-D235 WeakPolarHBondContact CA-O 3.23Å; H218-D235 WeakPolarHBondContact CB-O 3.49Å; L219-D235 HydrophobicContact CB-CB 4.26Å; L219-D235 PolarHBondContact N-O 3.11Å; L219-D235 PolarHBondContact O-N 2.92Å; D235-A244 HydrophobicContact CB-CB 3.83Å; D235-A244 WeakPolarHBondContact OD2-CB 3.47Å |
| 236 | A | 92.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 70.4 Ų | 70.4 | 51% | 0.512 | 40% | 0.401 | S | S | . | . | trans | -98.3 | 101.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110 | T238 | A236-T238 PolarHBondContact O-N 3.15Š| ||
| 237 | N | 87.4 | Confident | 92.7 | Very high | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | trans | -61.7 | 125.3 | 170.9 | -163 | -30.2 | 0 | 0 | 0 | 112.3 | L214 A215 N216 K217 H218 G239 N240 | L214-N237 HydrophobicContact CD1-CB 3.95Å; A215-N237 WeakPolarHBondContact CA-ND2 3.23Å; N216-N237 PolarHBondContact N-ND2 2.82Å; K217-N237 WeakPolarHBondContact O-CB 3.47Å; H218-N237 PolarHBondContact CE1-O 2.85Å; H218-N237 PolarHBondContact ND1-N 2.8Å; H218-N237 VanDerWaalsContact ND1-N 3.15Å; H218-N237 PolarHBondContact ND1-O 2.85Å; N237-G239 PolarHBondContact OD1-N 2.83Å; N237-N240 PolarHBondContact ND2-O 2.82Å; N237-N240 PolarHBondContact OD1-N 2.75Å; N237-N240 PolarHBondContact OD1-O 3.14Å | ||
| 238 | T | 82.3 | Confident | 92.8 | Very high | 131 Ų | 131 | 68.8 Ų | 68.8 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | trans | -100 | 9.8 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | A236 | A236-T238 PolarHBondContact O-N 3.15Š| ||
| 239 | G | 73.4 | Confident | 92.9 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 67% | 0.67 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 116.1 | -2.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N237 | N237-G239 PolarHBondContact OD1-N 2.83Š|
| 240 | N | 83.8 | Confident | 93 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -116.1 | -161.2 | 177.6 | -74.4 | -18 | 0 | 0 | 0 | 110.8 | N237 | N237-N240 PolarHBondContact ND2-O 2.82Å; N237-N240 PolarHBondContact OD1-N 2.75Å; N237-N240 PolarHBondContact OD1-O 3.14Å |
| 241 | H | 88.6 | Confident | 93 | Very high | 98 Ų | 98 | 63.9 Ų | 63.9 | 45% | 0.454 | 38% | 0.377 | S | S | . | . | trans | -95.5 | 137.1 | 167.9 | -56 | -50.7 | 0 | 0 | 0 | 109.3 | L214 A215 W276 | L214-H241 WeakPolarHBondContact O-CA 3.5Å; A215-H241 VanDerWaalsContact CB-ND1 3.32Å; A215-H241 WeakPolarHBondContact CB-ND1 3.32Å; H241-W276 HydrophobicContact CB-CH2 4.05Å; H241-W276 AromaticContact CD2-CH2 3.02Å; H241-W276 WeakPolarHBondContact CD2-CH2 3.32Å; H241-W276 AromaticContact CD2-CZ2 3.59Å; H241-W276 AromaticContact CD2-CZ3 3.92Å; H241-W276 AromaticContact CG-CH2 3.46Å; H241-W276 VanDerWaalsContact CG-CH2 3.46Å; H241-W276 AromaticContact NE2-CH2 3.41Å; H241-W276 WeakPolarHBondContact NE2-CH2 3.45Å; H241-W276 AromaticContact NE2-CZ2 3.44Å; H241-W276 WeakPolarHBondContact NE2-CZ2 3.44Å | ||
| 242 | D | 92.5 | Very high | 93.1 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 165.7 | 174.8 | -149.3 | -14.8 | 0 | 0 | 0 | 110.1 | T213 L214 | T213-D242 WeakPolarHBondContact CA-O 3.36Å; L214-D242 HydrophobicContact CD1-CB 4.46Å; L214-D242 HydrophobicContact CD2-CB 4.1Å; L214-D242 HydrophobicContact CG-CB 4.1Å; L214-D242 PolarHBondContact N-O 2.84Å; L214-D242 PolarHBondContact O-N 3.05Å; L214-D242 VanDerWaalsContact O-N 3.16Å |
| 243 | V | 93.9 | Very high | 93.1 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117.5 | 179.6 | -179 | 0 | 0 | 0 | 0 | 109.9 | I212 | I212-V243 WeakPolarHBondContact O-CA 3.36Å |
| 244 | A | 95.6 | Very high | 93 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I212 L214 L219 T233 D235 | I212-A244 PolarHBondContact N-O 3.42Å; I212-A244 PolarHBondContact O-N 3.05Å; L214-A244 HydrophobicContact CD2-CB 3.84Å; L219-A244 HydrophobicContact CD2-CB 3.7Å; T233-A244 HydrophobicContact CG2-CB 4.08Å; D235-A244 HydrophobicContact CB-CB 3.83Å; D235-A244 WeakPolarHBondContact OD2-CB 3.47Å |
| 245 | S | 97.2 | Very high | 93.1 | Very high | 60 Ų | 60 | 67 Ų | 67 | 42% | 0.42 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 153.5 | 177 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | Y210 D211 | Y210-S245 WeakPolarHBondContact O-CA 3.49Å; Y210-S245 WeakPolarHBondContact O-CB 3.41Å; D211-S245 VanDerWaalsContact OD1-CB 3.28Å; D211-S245 WeakPolarHBondContact OD1-CB 3.49Å; D211-S245 PolarHBondContact OD1-OG 3.23Å |
| 246 | G | 97.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 144.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T209 Y210 | T209-G246 CarbonylContact C-O 3.52Å; T209-G246 WeakPolarHBondContact CA-O 3.13Å; Y210-G246 VanDerWaalsContact CD1-O 3.26Å; Y210-G246 WeakPolarHBondContact CD1-O 3.46Å; Y210-G246 WeakPolarHBondContact CE1-O 3.49Å; Y210-G246 PolarHBondContact N-O 3.03Å; Y210-G246 PolarHBondContact O-N 3.42Å; Y210-G246 VanDerWaalsContact O-N 3.09Å |
| 247 | S | 98.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.7 | 178.6 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | Y207 F208 I231 | Y207-S247 WeakPolarHBondContact OH-CB 3.36Å; Y207-S247 PolarHBondContact OH-OG 2.83Å; Y207-S247 VanDerWaalsContact OH-OG 3.14Å; F208-S247 CarbonylContact O-C 3.6Å; F208-S247 WeakPolarHBondContact O-CA 3.44Å; F208-S247 VanDerWaalsContact O-CB 3.27Å; F208-S247 WeakPolarHBondContact O-CB 3.25Å; I231-S247 VanDerWaalsContact CD1-C 3.47Å; I231-S247 WeakPolarHBondContact CD1-O 3.38Å |
| 248 | T | 98.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 165.8 | 174 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | F208 L223 I231 L250 | F208-T248 PolarHBondContact N-O 2.99Å; F208-T248 PolarHBondContact O-N 2.97Å; L223-T248 HydrophobicContact CD2-CG2 3.56Å; I231-T248 HydrophobicContact CD1-CG2 3.63Å; I231-T248 HydrophobicContact CG1-CG2 3.93Å; T248-L250 HydrophobicContact CG2-CD1 4.47Å; T248-L250 HydrophobicContact CG2-CD2 4.02Å; T248-L250 HydrophobicContact CG2-CG 3.97Å |
| 249 | V | 98.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.6 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | V205 Y206 Y207 I286 | V205-V249 HydrophobicContact CG1-CG1 3.29Å; Y206-V249 CarbonylContact O-C 3.58Å; Y206-V249 VanDerWaalsContact O-CA 3.25Å; Y206-V249 WeakPolarHBondContact O-CA 3.42Å; Y207-V249 HydrophobicContact CD2-CG2 3.95Å; V249-I286 HydrophobicContact CG1-CD1 4.41Å; V249-I286 HydrophobicContact CG2-CD1 4.32Å |
| 250 | L | 97.8 | Very high | 96 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.6 | 176.8 | -60.1 | 179 | 0 | 0 | 0 | 110.1 | Y206 F208 L223 H225 K230 T248 L252 V258 | Y206-L250 PolarHBondContact N-O 2.81Å; Y206-L250 PolarHBondContact O-N 2.91Å; F208-L250 HydrophobicContact CD2-CB 4.45Å; F208-L250 HydrophobicContact CD2-CD1 3.98Å; F208-L250 HydrophobicContact CD2-CG 4.25Å; F208-L250 HydrophobicContact CE2-CB 4.3Å; F208-L250 HydrophobicContact CE2-CD1 4.07Å; F208-L250 HydrophobicContact CE2-CG 4.48Å; L223-L250 HydrophobicContact CD2-CD1 4.03Å; H225-L250 HydrophobicContact CB-CD1 4.19Å; K230-L250 HydrophobicContact CB-CD2 4.24Å; K230-L250 HydrophobicContact CD-CD2 4.38Å; K230-L250 HydrophobicContact CG-CD1 4.34Å; K230-L250 HydrophobicContact CG-CD2 3.99Å; T248-L250 HydrophobicContact CG2-CD1 4.47Å; T248-L250 HydrophobicContact CG2-CD2 4.02Å; T248-L250 HydrophobicContact CG2-CG 3.97Å; L250-L252 HydrophobicContact CB-CD2 3.87Å; L250-L252 HydrophobicContact CB-CG 4.3Å; L250-L252 HydrophobicContact CD1-CD2 4.35Å; L250-V258 HydrophobicContact CD1-CG1 4.44Å; L250-V258 HydrophobicContact CD1-CG2 4.26Å |
| 251 | N | 97.2 | Very high | 96.6 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122 | 162.8 | -171.8 | 1.2 | 0 | 0 | 0 | 108.6 | G204 | G204-N251 WeakPolarHBondContact O-CA 3.4Å; G204-N251 PolarHBondContact O-OD1 3.35Å; G204-N251 VanDerWaalsContact O-OD1 3.12Å |
| 252 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.2 | -175.1 | -60.1 | -173.5 | 0 | 0 | 0 | 111 | F198 C200 P203 G204 Y206 F208 L250 D256 V258 | F198-L252 HydrophobicContact CD1-CD1 4.32Å; F198-L252 HydrophobicContact CE1-CD1 3.83Å; C200-L252 HydrophobicContact CB-CB 4.09Å; C200-L252 HydrophobicContact CB-CD1 4.14Å; P203-L252 VanDerWaalsContact CA-O 3.31Å; P203-L252 WeakPolarHBondContact CA-O 3.13Å; G204-L252 PolarHBondContact N-O 2.89Å; G204-L252 PolarHBondContact O-N 2.96Å; Y206-L252 HydrophobicContact CD2-CB 3.92Å; Y206-L252 HydrophobicContact CD2-CD1 3.68Å; Y206-L252 HydrophobicContact CD2-CG 3.83Å; Y206-L252 HydrophobicContact CE2-CB 4.12Å; Y206-L252 HydrophobicContact CE2-CD1 4.16Å; Y206-L252 HydrophobicContact CE2-CG 4.45Å; Y206-L252 HydrophobicContact CG-CD1 3.89Å; Y206-L252 HydrophobicContact CG-CG 4.37Å; F208-L252 HydrophobicContact CE2-CD1 3.84Å; F208-L252 HydrophobicContact CZ-CD1 3.74Å; L250-L252 HydrophobicContact CB-CD2 3.87Å; L250-L252 HydrophobicContact CB-CG 4.3Å; L250-L252 HydrophobicContact CD1-CD2 4.35Å; L252-D256 HydrophobicContact CB-CB 4.31Å; L252-D256 HydrophobicContact CD2-CB 4.3Å; L252-V258 HydrophobicContact CD1-CG2 3.86Å; L252-V258 HydrophobicContact CD2-CG2 3.9Å |
| 253 | K | 96.8 | Very high | 96.9 | Very high | 156 Ų | 156 | 45.4 Ų | 45.4 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | trans | -91.2 | 165.2 | 168.8 | -64 | -176 | 179.5 | -176.2 | 0 | 110.6 | C200 S255 D256 | C200-K253 VanDerWaalsContact CB-O 3.31Å; C200-K253 WeakPolarHBondContact CB-O 3.36Å; C200-K253 PolarHBondContact SG-O 3.15Å; K253-S255 PolarHBondContact O-N 2.85Å; K253-D256 PolarHBondContact N-OD2 3.47Å; K253-D256 VanDerWaalsContact O-CB 3.26Å; K253-D256 WeakPolarHBondContact O-CB 3.44Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-D256 VanDerWaalsContact O-N 3.12Å | ||
| 254 | Q | 94.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 138.7 | 174.3 | -165.3 | 174.1 | 19 | 0 | 0 | 110.3 | P203 D256 | P203-Q254 HydrophobicContact CG-CB 4.03Å; Q254-D256 PolarHBondContact O-N 2.94Å |
| 255 | S | 96.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 0.7 | -174.9 | -49.4 | 0 | 0 | 0 | 0 | 116.5 | C200 K253 | C200-S255 WeakPolarHBondContact O-CA 3.42Å; C200-S255 PolarHBondContact O-N 2.86Å; K253-S255 PolarHBondContact O-N 2.85Å |
| 256 | D | 98.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -61.3 | 142.3 | 171.3 | -81.5 | -6.6 | 0 | 0 | 0 | 111 | V199 C200 H225 N226 L252 K253 Q254 | V199-D256 WeakPolarHBondContact CA-O 3.41Å; C200-D256 HydrophobicContact CB-CB 4.21Å; C200-D256 WeakPolarHBondContact CB-O 3.33Å; C200-D256 PolarHBondContact N-O 3.4Å; H225-D256 IonicContact CE1-OD2 3.94Å; H225-D256 IonicContact NE2-OD2 3.69Å; H225-D256 PolarHBondContact NE2-OD2 2.92Å; N226-D256 PolarHBondContact ND2-OD1 2.77Å; L252-D256 HydrophobicContact CB-CB 4.31Å; L252-D256 HydrophobicContact CD2-CB 4.3Å; K253-D256 PolarHBondContact N-OD2 3.47Å; K253-D256 VanDerWaalsContact O-CB 3.26Å; K253-D256 WeakPolarHBondContact O-CB 3.44Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-D256 VanDerWaalsContact O-N 3.12Å; Q254-D256 PolarHBondContact O-N 2.94Å | ||
| 257 | Q | 98.4 | Very high | 95 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.1 | -177.7 | -59.9 | -178.7 | 12.9 | 0 | 0 | 111 | K197 F198 V199 H225 N226 W259 | K197-Q257 VanDerWaalsContact CD-OE1 3.27Å; F198-Q257 CarbonylContact O-C 3.59Å; F198-Q257 VanDerWaalsContact O-CA 3.28Å; F198-Q257 WeakPolarHBondContact O-CA 3.32Å; V199-Q257 HydrophobicContact CG2-CG 4.31Å; H225-Q257 WeakPolarHBondContact CA-O 3.5Å; N226-Q257 PolarHBondContact N-O 3.09Å; N226-Q257 PolarHBondContact OD1-N 3.25Å; N226-Q257 PolarHBondContact OD1-O 2.93Å; Q257-W259 HydrophobicContact CB-CE3 4.15Å; Q257-W259 HydrophobicContact CB-CZ3 3.93Å |
| 258 | V | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.4 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | F198 F208 L223 V224 H225 L250 L252 F281 | F198-V258 HydrophobicContact CD1-CB 4.36Å; F198-V258 PolarHBondContact N-O 2.99Å; F198-V258 PolarHBondContact O-N 3.5Å; F208-V258 HydrophobicContact CD1-CG1 4.05Å; F208-V258 HydrophobicContact CD2-CG1 4.41Å; F208-V258 HydrophobicContact CE1-CB 3.99Å; F208-V258 HydrophobicContact CE1-CG1 3.84Å; F208-V258 HydrophobicContact CE1-CG2 4.42Å; F208-V258 HydrophobicContact CE2-CB 4.47Å; F208-V258 HydrophobicContact CE2-CG1 4.24Å; F208-V258 HydrophobicContact CE2-CG2 4.1Å; F208-V258 HydrophobicContact CG-CG1 4.32Å; F208-V258 HydrophobicContact CZ-CB 3.9Å; F208-V258 HydrophobicContact CZ-CG1 3.97Å; F208-V258 HydrophobicContact CZ-CG2 3.81Å; L223-V258 HydrophobicContact CD1-CG1 3.95Å; L223-V258 HydrophobicContact CD2-CG1 4.36Å; L223-V258 HydrophobicContact CG-CG1 4.08Å; V224-V258 VanDerWaalsContact O-CA 3.26Å; V224-V258 WeakPolarHBondContact O-CA 3.13Å; H225-V258 HydrophobicContact CB-CG2 4.39Å; L250-V258 HydrophobicContact CD1-CG1 4.44Å; L250-V258 HydrophobicContact CD1-CG2 4.26Å; L252-V258 HydrophobicContact CD1-CG2 3.86Å; L252-V258 HydrophobicContact CD2-CG2 3.9Å; V258-F281 HydrophobicContact CG1-CZ 4.37Å |
| 259 | W | 98.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 51 Ų | 51 | 8% | 0.076 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 171.8 | 178.1 | 68.5 | 95.6 | 0 | 0 | 0 | 112.4 | P177 G196 K197 V224 G227 Q257 | P177-W259 HydrophobicContact CB-CB 4.37Å; P177-W259 HydrophobicContact CB-CG 4.07Å; P177-W259 HydrophobicContact CG-CG 4.21Å; G196-W259 WeakPolarHBondContact O-CB 3.45Å; K197-W259 HydrophobicContact CB-CB 4.44Å; K197-W259 HydrophobicContact CD-CE3 4.25Å; K197-W259 HydrophobicContact CG-CB 3.99Å; K197-W259 HydrophobicContact CG-CD2 4.41Å; K197-W259 HydrophobicContact CG-CE3 4.39Å; K197-W259 HydrophobicContact CG-CG 4.28Å; V224-W259 HydrophobicContact CB-CD2 3.97Å; V224-W259 HydrophobicContact CB-CE3 4.43Å; V224-W259 HydrophobicContact CB-CG 4.43Å; V224-W259 HydrophobicContact CB-CH2 4.39Å; V224-W259 HydrophobicContact CB-CZ2 3.9Å; V224-W259 HydrophobicContact CG1-CD2 4.22Å; V224-W259 HydrophobicContact CG1-CE3 4.41Å; V224-W259 HydrophobicContact CG1-CH2 3.59Å; V224-W259 HydrophobicContact CG1-CZ2 3.3Å; V224-W259 HydrophobicContact CG1-CZ3 4.12Å; V224-W259 PolarHBondContact N-O 2.94Å; V224-W259 PolarHBondContact O-N 2.96Å; G227-W259 VanDerWaalsContact N-CH2 3.27Å; Q257-W259 HydrophobicContact CB-CE3 4.15Å; Q257-W259 HydrophobicContact CB-CZ3 3.93Å |
| 260 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.7 | 169.6 | -68.9 | 168.8 | 0 | 0 | 0 | 110.8 | I178 F180 Y210 I221 G222 L223 F281 | I178-L260 HydrophobicContact CD1-CB 4.17Å; I178-L260 PolarHBondContact N-O 3.27Å; F180-L260 HydrophobicContact CE2-CB 4.17Å; F180-L260 HydrophobicContact CE2-CD1 3.93Å; F180-L260 HydrophobicContact CZ-CB 4.49Å; F180-L260 HydrophobicContact CZ-CD1 3.64Å; Y210-L260 HydrophobicContact CD1-CD1 4.05Å; Y210-L260 HydrophobicContact CD1-CD2 3.58Å; Y210-L260 HydrophobicContact CD1-CG 4.38Å; Y210-L260 HydrophobicContact CE1-CD2 3.69Å; Y210-L260 HydrophobicContact CG-CD1 3.86Å; Y210-L260 HydrophobicContact CG-CD2 4.03Å; I221-L260 HydrophobicContact CD1-CB 4.09Å; I221-L260 HydrophobicContact CD1-CD1 4.16Å; I221-L260 HydrophobicContact CD1-CD2 4.25Å; I221-L260 HydrophobicContact CD1-CG 4.42Å; I221-L260 HydrophobicContact CG1-CB 4.34Å; I221-L260 HydrophobicContact CG1-CD2 4.26Å; G222-L260 WeakPolarHBondContact O-CA 3.36Å; L223-L260 HydrophobicContact CB-CD2 4.05Å; L223-L260 HydrophobicContact CD1-CD2 3.89Å; L223-L260 HydrophobicContact CD1-CG 4.4Å; L260-F281 HydrophobicContact CD1-CB 3.75Å; L260-F281 HydrophobicContact CD1-CD1 4.12Å; L260-F281 HydrophobicContact CD1-CD2 3.64Å; L260-F281 HydrophobicContact CD1-CE2 4.27Å; L260-F281 HydrophobicContact CD1-CG 3.57Å; L260-F281 HydrophobicContact CG-CD1 4.36Å; L260-F281 HydrophobicContact CG-CD2 4.12Å; L260-F281 HydrophobicContact CG-CE1 4.49Å; L260-F281 HydrophobicContact CG-CE2 4.25Å; L260-F281 HydrophobicContact CG-CG 4.19Å; L260-F281 HydrophobicContact CG-CZ 4.43Å |
| 261 | Q | 96.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149 | 171.5 | 64.7 | 178.9 | 53.5 | 0 | 0 | 112.1 | M176 G222 V224 Y229 | M176-Q261 WeakPolarHBondContact O-CB 3.32Å; G222-Q261 PolarHBondContact N-O 3.38Å; G222-Q261 PolarHBondContact O-N 3.01Å; V224-Q261 HydrophobicContact CG2-CG 3.7Å; Y229-Q261 HydrophobicContact CE1-CG 4.12Å; Y229-Q261 PolarHBondContact OH-NE2 3.16Å |
| 262 | I | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.6 | 167.9 | -55.5 | -58.2 | 0 | 0 | 0 | 108.4 | P172 E174 R175 I178 L219 A220 I221 Y264 N268 | P172-I262 HydrophobicContact CG-CG1 4.44Å; E174-I262 HydrophobicContact CB-CB 4.37Å; E174-I262 HydrophobicContact CB-CG2 4.29Å; E174-I262 HydrophobicContact CG-CB 4.31Å; E174-I262 HydrophobicContact CG-CG2 3.97Å; R175-I262 WeakPolarHBondContact CA-O 3.37Å; R175-I262 PolarHBondContact N-O 2.89Å; I178-I262 HydrophobicContact CD1-CD1 4.06Å; I178-I262 HydrophobicContact CD1-CG1 4.02Å; L219-I262 HydrophobicContact CD1-CD1 3.82Å; A220-I262 WeakPolarHBondContact O-CA 3.32Å; I221-I262 HydrophobicContact CB-CD1 3.96Å; I221-I262 HydrophobicContact CD1-CD1 4.37Å; I221-I262 HydrophobicContact CG1-CD1 4.04Å; I262-Y264 WeakPolarHBondContact CG2-O 3.45Å; I262-N268 HydrophobicContact CG2-CB 4.06Å |
| 263 | F | 89.8 | Confident | 94 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | trans | -106 | -18.4 | -175 | 59.4 | -92.2 | 0 | 0 | 0 | 114.8 | A220 Y229 K232 F234 | A220-F263 VanDerWaalsContact C-CE1 3.42Å; A220-F263 HydrophobicContact CB-CD1 4.39Å; A220-F263 HydrophobicContact CB-CD2 4.4Å; A220-F263 HydrophobicContact CB-CE1 3.9Å; A220-F263 HydrophobicContact CB-CE2 3.92Å; A220-F263 HydrophobicContact CB-CZ 3.64Å; A220-F263 WeakPolarHBondContact O-CD1 3.49Å; A220-F263 WeakPolarHBondContact O-CE1 3.42Å; A220-F263 PolarHBondContact O-N 3.43Å; Y229-F263 HydrophobicContact CE1-CB 4.02Å; Y229-F263 HydrophobicContact CE1-CD1 4.08Å; Y229-F263 HydrophobicContact CE1-CG 4.29Å; Y229-F263 WeakPolarHBondContact OH-CB 3.45Å; K232-F263 HydrophobicContact CB-CE1 4.21Å; K232-F263 HydrophobicContact CB-CZ 4.1Å; K232-F263 HydrophobicContact CD-CZ 4.23Å; K232-F263 HydrophobicContact CG-CE1 4.25Å; K232-F263 HydrophobicContact CG-CZ 4.26Å; F234-F263 HydrophobicContact CD1-CZ 4.16Å; F234-F263 AromaticContact CE1-CE2 3.57Å; F234-F263 HydrophobicContact CE1-CE2 3.57Å; F234-F263 AromaticContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE1-CZ 3.35Å; F234-F263 HydrophobicContact CE2-CZ 4.13Å; F234-F263 AromaticContact CZ-CE2 3.67Å; F234-F263 HydrophobicContact CZ-CE2 3.67Å; F234-F263 AromaticContact CZ-CZ 3.35Å; F234-F263 HydrophobicContact CZ-CZ 3.35Å | ||
| 264 | Y | 88.4 | Confident | 93.7 | Very high | 120 Ų | 120 | 43.6 Ų | 43.6 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | trans | -113.4 | 123.5 | 170.4 | -72.1 | -51.2 | 0 | 0 | 0 | 111 | A220 F234 I262 E266 Q267 | A220-Y264 HydrophobicContact CB-CD2 3.9Å; F234-Y264 HydrophobicContact CE1-CD2 4.29Å; F234-Y264 HydrophobicContact CE1-CE2 4.03Å; I262-Y264 WeakPolarHBondContact CG2-O 3.45Å; Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.21Å; Y264-Q267 CarbonylContact O-C 3.56Å; Y264-Q267 PolarHBondContact O-N 3.07Å | ||
| 265 | S | 81.1 | Confident | 93.4 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -35.7 | -177.1 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | Q267 | S265-Q267 VanDerWaalsContact C-N 3.29Å; S265-Q267 PolarHBondContact O-N 2.83Å |
| 266 | E | 85.1 | Confident | 92.9 | Very high | 155 Ų | 155 | 50.4 Ų | 50.4 | 72% | 0.724 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.1 | 179.1 | -56.9 | -52.7 | 138.7 | 0 | 0 | 113.5 | Y264 | Y264-E266 VanDerWaalsContact C-N 3.27Å; Y264-E266 PolarHBondContact O-N 3.21Å |
| 267 | Q | 90.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | trans | -117.8 | 49.8 | -177 | -56.3 | -171.8 | 17.8 | 0 | 0 | 111.2 | H218 L219 A220 Y264 S265 | H218-Q267 HydrophobicContact CB-CB 4.38Å; H218-Q267 HydrophobicContact CB-CG 4.18Å; H218-Q267 CarbonylContact O-C 3.46Å; H218-Q267 WeakPolarHBondContact O-CA 3.28Å; L219-Q267 CarbonylContact C-O 3.5Å; L219-Q267 WeakPolarHBondContact CA-O 3.47Å; A220-Q267 HydrophobicContact CB-CB 3.63Å; A220-Q267 HydrophobicContact CB-CG 4.46Å; A220-Q267 PolarHBondContact N-O 2.98Å; Y264-Q267 CarbonylContact O-C 3.56Å; Y264-Q267 PolarHBondContact O-N 3.07Å; S265-Q267 VanDerWaalsContact C-N 3.29Å; S265-Q267 PolarHBondContact O-N 2.83Å | ||
| 268 | N | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -101.8 | 71.9 | 173.4 | -171.3 | 6.7 | 0 | 0 | 0 | 109.7 | Y171 P172 E174 H218 I262 L270 | Y171-N268 WeakPolarHBondContact CD1-O 3.45Å; Y171-N268 WeakPolarHBondContact CE1-O 3.44Å; P172-N268 PolarHBondContact O-ND2 2.87Å; E174-N268 HydrophobicContact CG-CB 3.96Å; E174-N268 PolarHBondContact OE1-ND2 3.24Å; H218-N268 PolarHBondContact O-N 3.04Å; I262-N268 HydrophobicContact CG2-CB 4.06Å; N268-L270 VanDerWaalsContact C-N 3.34Å | ||
| 269 | G | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -83.7 | -4.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L214 A215 K217 H218 F271 | L214-G269 CarbonylContact C-O 3.43Å; L214-G269 WeakPolarHBondContact CA-O 3.5Å; L214-G269 WeakPolarHBondContact CB-O 3.4Å; A215-G269 PolarHBondContact N-O 3.28Å; K217-G269 WeakPolarHBondContact O-CA 3.28Å; H218-G269 WeakPolarHBondContact O-CA 3.39Å; H218-G269 PolarHBondContact O-N 2.83Å; G269-F271 PolarHBondContact O-N 3.5Å | ||
| 270 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 123.2 | -171.5 | -171.8 | 155.1 | 0 | 0 | 0 | 111.1 | V167 S170 Y171 P172 I178 I212 L219 I221 N268 | V167-L270 HydrophobicContact CB-CD2 4.38Å; V167-L270 HydrophobicContact CG1-CD1 4.5Å; V167-L270 HydrophobicContact CG1-CD2 4.06Å; V167-L270 HydrophobicContact CG2-CD2 4.04Å; S170-L270 WeakPolarHBondContact CA-O 3.31Å; Y171-L270 PolarHBondContact N-O 3.4Å; P172-L270 HydrophobicContact CG-CD1 4.31Å; P172-L270 HydrophobicContact CG-CD2 4.42Å; I178-L270 HydrophobicContact CD1-CD1 4.11Å; I212-L270 HydrophobicContact CD1-CD1 4.2Å; I212-L270 HydrophobicContact CG2-CB 4.21Å; I212-L270 HydrophobicContact CG2-CD1 3.84Å; I212-L270 HydrophobicContact CG2-CG 3.74Å; L219-L270 HydrophobicContact CD1-CB 4.16Å; I221-L270 HydrophobicContact CD1-CD1 4.45Å; N268-L270 VanDerWaalsContact C-N 3.34Å |
| 271 | F | 94.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | trans | -123.9 | 147.5 | -172.5 | -172.8 | -103.3 | 0 | 0 | 0 | 112.1 | S170 T213 A215 G269 D273 W276 S279 | S170-F271 WeakPolarHBondContact OG-CD2 3.38Å; T213-F271 HydrophobicContact CG2-CD1 4.49Å; T213-F271 PolarHBondContact O-N 3.44Å; A215-F271 HydrophobicContact CB-CB 3.63Å; A215-F271 HydrophobicContact CB-CD1 4.02Å; A215-F271 HydrophobicContact CB-CD2 3.74Å; A215-F271 HydrophobicContact CB-CE2 4.42Å; A215-F271 HydrophobicContact CB-CG 3.51Å; G269-F271 PolarHBondContact O-N 3.5Å; F271-D273 HydrophobicContact CE1-CB 3.81Å; F271-D273 HydrophobicContact CZ-CB 4.2Å; F271-W276 AromaticContact CE1-CZ2 3.99Å; F271-W276 HydrophobicContact CE1-CZ2 3.99Å; F271-S279 PolarHBondContact O-OG 2.87Å; F271-S279 VanDerWaalsContact O-OG 3.11Å | ||
| 272 | F | 94.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | trans | -142.3 | 135.6 | 176 | 170.5 | -102.2 | 0 | 0 | 0 | 110.1 | V167 T168 S170 P274 | V167-F272 HydrophobicContact CG2-CB 3.87Å; V167-F272 HydrophobicContact CG2-CD2 4.14Å; V167-F272 HydrophobicContact CG2-CG 4.25Å; V167-F272 WeakPolarHBondContact O-CD2 3.35Å; V167-F272 WeakPolarHBondContact O-CE2 3.38Å; T168-F272 VanDerWaalsContact C-CE1 3.48Å; T168-F272 WeakPolarHBondContact O-CD1 3.49Å; T168-F272 WeakPolarHBondContact O-CE1 3.46Å; S170-F272 PolarHBondContact OG-N 3.48Å; S170-F272 PolarHBondContact OG-O 3.13Å; S170-F272 VanDerWaalsContact OG-O 3.13Å; F272-P274 HydrophobicContact CE1-CB 4.25Å; F272-P274 HydrophobicContact CZ-CB 4.02Å | ||
| 273 | D | 92.4 | Very high | 92 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -138.8 | 124 | 172 | -176.2 | -69.5 | 0 | 0 | 0 | 108.8 | F271 F275 W276 T277 | F271-D273 HydrophobicContact CE1-CB 3.81Å; F271-D273 HydrophobicContact CZ-CB 4.2Å; D273-F275 PolarHBondContact O-N 2.91Å; D273-F275 WeakPolarHBondContact OD1-CB 3.21Å; D273-F275 WeakPolarHBondContact OD1-CD2 3.16Å; D273-F275 PolarHBondContact OD1-N 3.01Å; D273-W276 VanDerWaalsContact CG-NE1 3.28Å; D273-W276 PolarHBondContact O-N 3.28Å; D273-W276 PolarHBondContact OD2-NE1 3.2Å; D273-T277 WeakPolarHBondContact CB-OG1 3.22Å; D273-T277 PolarHBondContact N-OG1 3.22Å; D273-T277 PolarHBondContact O-N 3.19Å; D273-T277 VanDerWaalsContact O-N 3.14Å |
| 274 | P | 89.8 | Confident | 92.4 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.3 | -172.8 | 27.4 | -35.6 | 0 | 0 | 0 | 114.7 | F272 | F272-P274 HydrophobicContact CE1-CB 4.25Å; F272-P274 HydrophobicContact CZ-CB 4.02Å |
| 275 | F | 89.8 | Confident | 92.9 | Very high | 187 Ų | 187 | 49.2 Ų | 49.2 | 82% | 0.82 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -31.9 | -176.8 | -59.6 | -75.6 | 0 | 0 | 0 | 113.7 | D273 | D273-F275 PolarHBondContact O-N 2.91Å; D273-F275 WeakPolarHBondContact OD1-CB 3.21Å; D273-F275 WeakPolarHBondContact OD1-CD2 3.16Å; D273-F275 PolarHBondContact OD1-N 3.01Å |
| 276 | W | 86.3 | Confident | 93.5 | Very high | 144 Ų | 144 | 50.1 Ų | 50.1 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | -1.7 | -168.4 | 71.8 | -80.6 | 0 | 0 | 0 | 116.2 | H241 F271 D273 | H241-W276 HydrophobicContact CB-CH2 4.05Å; H241-W276 AromaticContact CD2-CH2 3.02Å; H241-W276 WeakPolarHBondContact CD2-CH2 3.32Å; H241-W276 AromaticContact CD2-CZ2 3.59Å; H241-W276 AromaticContact CD2-CZ3 3.92Å; H241-W276 AromaticContact CG-CH2 3.46Å; H241-W276 VanDerWaalsContact CG-CH2 3.46Å; H241-W276 AromaticContact NE2-CH2 3.41Å; H241-W276 WeakPolarHBondContact NE2-CH2 3.45Å; H241-W276 AromaticContact NE2-CZ2 3.44Å; H241-W276 WeakPolarHBondContact NE2-CZ2 3.44Å; F271-W276 AromaticContact CE1-CZ2 3.99Å; F271-W276 HydrophobicContact CE1-CZ2 3.99Å; D273-W276 VanDerWaalsContact CG-NE1 3.28Å; D273-W276 PolarHBondContact O-N 3.28Å; D273-W276 PolarHBondContact OD2-NE1 3.2Å |
| 277 | T | 87.4 | Confident | 93.8 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -135.5 | 142.3 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | T213 D273 | T213-T277 HydrophobicContact CG2-CG2 3.91Å; D273-T277 WeakPolarHBondContact CB-OG1 3.22Å; D273-T277 PolarHBondContact N-OG1 3.22Å; D273-T277 PolarHBondContact O-N 3.19Å; D273-T277 VanDerWaalsContact O-N 3.14Å |
| 278 | D | 88.4 | Confident | 93.8 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | trans | -126.7 | 147.6 | 166 | -91.7 | -44 | 0 | 0 | 0 | 107.9 | R182 T213 T280 | R182-D278 IonicContact NH1-OD1 2.99Å; R182-D278 PolarHBondContact NH1-OD1 2.85Å; R182-D278 IonicContact NH1-OD2 2.97Å; R182-D278 PolarHBondContact NH1-OD2 3.25Å; T213-D278 PolarHBondContact OG1-O 3.42Å; D278-T280 HydrophobicContact CB-CG2 4.36Å | ||
| 279 | S | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -119.5 | 121.8 | 164.6 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | A166 V167 D211 T213 F271 | A166-S279 VanDerWaalsContact CA-O 3.32Å; A166-S279 WeakPolarHBondContact CA-O 3.37Å; V167-S279 PolarHBondContact N-O 3.32Å; D211-S279 CarbonylContact O-C 3.54Å; D211-S279 VanDerWaalsContact O-CA 3.23Å; D211-S279 WeakPolarHBondContact O-CA 3.23Å; T213-S279 PolarHBondContact N-OG 3.33Å; F271-S279 PolarHBondContact O-OG 2.87Å; F271-S279 VanDerWaalsContact O-OG 3.11Å | ||
| 280 | T | 97.9 | Very high | 92.7 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.6 | -166.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | V165 A166 Y210 D211 D278 | V165-T280 CarbonylContact O-C 3.6Å; V165-T280 VanDerWaalsContact O-CA 3.23Å; V165-T280 WeakPolarHBondContact O-CA 3.15Å; A166-T280 HydrophobicContact CB-CG2 4.36Å; Y210-T280 VanDerWaalsContact CA-O 3.24Å; Y210-T280 WeakPolarHBondContact CA-O 3.26Å; Y210-T280 VanDerWaalsContact CB-O 3.25Å; Y210-T280 WeakPolarHBondContact CB-O 3.39Å; D211-T280 PolarHBondContact N-O 2.93Å; D211-T280 VanDerWaalsContact N-O 3.11Å; D211-T280 PolarHBondContact O-N 3.2Å; D278-T280 HydrophobicContact CB-CG2 4.36Å |
| 281 | F | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.5 | 169.4 | 177 | -141.8 | 0 | 0 | 0 | 108.5 | F163 V165 F180 Y191 F208 T209 L223 V258 L260 | F163-F281 AromaticContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD1 3.58Å; F163-F281 HydrophobicContact CE2-CD2 4.46Å; F163-F281 AromaticContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CE1 3.64Å; F163-F281 HydrophobicContact CE2-CG 4.01Å; F163-F281 HydrophobicContact CE2-CZ 4.12Å; F163-F281 AromaticContact CZ-CD1 3.98Å; F163-F281 HydrophobicContact CZ-CD1 3.98Å; F163-F281 AromaticContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE1 3.55Å; F163-F281 HydrophobicContact CZ-CE2 4.13Å; F163-F281 HydrophobicContact CZ-CG 4.44Å; F163-F281 AromaticContact CZ-CZ 3.64Å; F163-F281 HydrophobicContact CZ-CZ 3.64Å; V165-F281 HydrophobicContact CG2-CB 4.06Å; V165-F281 HydrophobicContact CG2-CD1 4.42Å; V165-F281 VanDerWaalsContact CG2-O 3.26Å; V165-F281 WeakPolarHBondContact CG2-O 3.43Å; V165-F281 PolarHBondContact N-O 2.75Å; V165-F281 PolarHBondContact O-N 2.94Å; F180-F281 HydrophobicContact CD1-CB 4Å; F180-F281 HydrophobicContact CD2-CB 4.17Å; F180-F281 HydrophobicContact CD2-CD1 4.33Å; F180-F281 HydrophobicContact CE1-CB 3.72Å; F180-F281 HydrophobicContact CE2-CB 3.91Å; F180-F281 HydrophobicContact CE2-CD1 4.24Å; F180-F281 HydrophobicContact CE2-CG 4.42Å; F180-F281 HydrophobicContact CG-CB 4.25Å; F180-F281 HydrophobicContact CZ-CB 3.71Å; Y191-F281 HydrophobicContact CE2-CD1 4.38Å; F208-F281 HydrophobicContact CB-CE2 4.37Å; F208-F281 AromaticContact CD1-CE2 3.89Å; F208-F281 HydrophobicContact CD1-CE2 3.89Å; F208-F281 AromaticContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CD1-CZ 3.87Å; F208-F281 HydrophobicContact CE1-CZ 4.39Å; T209-F281 WeakPolarHBondContact O-CD2 3.49Å; L223-F281 HydrophobicContact CD1-CE2 3.63Å; L223-F281 HydrophobicContact CD1-CZ 3.89Å; V258-F281 HydrophobicContact CG1-CZ 4.37Å; L260-F281 HydrophobicContact CD1-CB 3.75Å; L260-F281 HydrophobicContact CD1-CD1 4.12Å; L260-F281 HydrophobicContact CD1-CD2 3.64Å; L260-F281 HydrophobicContact CD1-CE2 4.27Å; L260-F281 HydrophobicContact CD1-CG 3.57Å; L260-F281 HydrophobicContact CG-CD1 4.36Å; L260-F281 HydrophobicContact CG-CD2 4.12Å; L260-F281 HydrophobicContact CG-CE1 4.49Å; L260-F281 HydrophobicContact CG-CE2 4.25Å; L260-F281 HydrophobicContact CG-CG 4.19Å; L260-F281 HydrophobicContact CG-CZ 4.43Å |
| 282 | T | 98.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 64.6 Ų | 64.6 | 17% | 0.172 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.9 | -172.3 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | F163 S164 F208 T209 F284 | F163-T282 WeakPolarHBondContact O-CA 3.12Å; F163-T282 WeakPolarHBondContact O-CG2 3.48Å; S164-T282 WeakPolarHBondContact CB-OG1 3.16Å; S164-T282 PolarHBondContact OG-OG1 3.04Å; F208-T282 WeakPolarHBondContact CA-O 3.45Å; T209-T282 HydrophobicContact CG2-CG2 4.34Å; T209-T282 PolarHBondContact N-O 3.45Å; T209-T282 PolarHBondContact O-N 3.45Å; T282-F284 HydrophobicContact CG2-CD1 4.48Å |
| 283 | G | 98.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 144.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | A162 F163 Y207 | A162-G283 CarbonylContact C-O 3.51Å; A162-G283 WeakPolarHBondContact CA-O 3.13Å; F163-G283 WeakPolarHBondContact CD1-O 3.47Å; F163-G283 PolarHBondContact N-O 2.82Å; F163-G283 PolarHBondContact O-N 3.29Å; Y207-G283 CarbonylContact O-C 3.52Å; Y207-G283 WeakPolarHBondContact O-CA 3.47Å |
| 284 | F | 98.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 151.3 | 179.8 | 58.5 | -92.3 | 0 | 0 | 0 | 112.2 | S161 A162 Y206 Y207 T282 I286 | S161-F284 CarbonylContact O-C 3.44Å; S161-F284 WeakPolarHBondContact O-CA 3.25Å; A162-F284 HydrophobicContact CB-CB 3.69Å; Y206-F284 WeakPolarHBondContact CA-O 3.34Å; Y207-F284 HydrophobicContact CD1-CD1 4.44Å; Y207-F284 AromaticContact CD1-CE1 3.55Å; Y207-F284 HydrophobicContact CD1-CE1 3.55Å; Y207-F284 AromaticContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CD1-CZ 3.65Å; Y207-F284 HydrophobicContact CE1-CE1 4.38Å; Y207-F284 HydrophobicContact CG-CE1 4.33Å; Y207-F284 HydrophobicContact CG-CZ 4.09Å; Y207-F284 PolarHBondContact N-O 2.99Å; Y207-F284 PolarHBondContact O-N 2.81Å; T282-F284 HydrophobicContact CG2-CD1 4.48Å; F284-I286 HydrophobicContact CE2-CG1 4.32Å |
| 285 | L | 97.3 | Very high | 88.6 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.5 | 174 | -179.6 | 67.8 | 0 | 0 | 0 | 109.6 | A159 S161 I202 Y206 Y287 A288 | A159-L285 HydrophobicContact CB-CD2 3.94Å; S161-L285 PolarHBondContact O-N 2.77Å; I202-L285 HydrophobicContact CB-CD2 4.43Å; I202-L285 HydrophobicContact CG2-CD2 3.83Å; Y206-L285 HydrophobicContact CD1-CB 4.18Å; Y206-L285 HydrophobicContact CD2-CD1 4.06Å; Y206-L285 HydrophobicContact CE1-CB 3.71Å; Y206-L285 HydrophobicContact CE1-CD1 4.14Å; Y206-L285 HydrophobicContact CE2-CD1 3.57Å; L285-Y287 WeakPolarHBondContact CD1-O 3.42Å; L285-A288 HydrophobicContact CD2-CB 4.09Å |
| 286 | I | 95 | Very high | 87.7 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -52.3 | 172.5 | -46.5 | 178.8 | 0 | 0 | 0 | 109.3 | V205 V249 F284 | V205-I286 HydrophobicContact CG1-CD1 4.18Å; V205-I286 WeakPolarHBondContact O-CB 3.24Å; V205-I286 PolarHBondContact O-N 3.04Å; V249-I286 HydrophobicContact CG1-CD1 4.41Å; V249-I286 HydrophobicContact CG2-CD1 4.32Å; F284-I286 HydrophobicContact CE2-CG1 4.32Å |
| 287 | Y | 91.3 | Very high | 86.9 | Confident | 167 Ų | 167 | 57.8 Ų | 57.8 | 66% | 0.655 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 123.3 | -178 | -58.6 | -64.4 | 0 | 0 | 0 | 109.7 | G204 V205 L285 | G204-Y287 CarbonylContact C-O 3.52Å; G204-Y287 VanDerWaalsContact CA-O 3.26Å; G204-Y287 WeakPolarHBondContact CA-O 3.31Å; V205-Y287 HydrophobicContact CB-CD2 4.49Å; V205-Y287 PolarHBondContact N-O 2.86Å; V205-Y287 PolarHBondContact O-N 3.4Å; L285-Y287 WeakPolarHBondContact CD1-O 3.42Å |
| 288 | A | 90.9 | Very high | 86 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 148 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A159 I202 L285 Q290 L293 | A159-A288 HydrophobicContact CB-CB 3.72Å; I202-A288 HydrophobicContact CG2-CB 4.1Å; L285-A288 HydrophobicContact CD2-CB 4.09Å; A288-Q290 PolarHBondContact O-N 2.79Å; A288-L293 HydrophobicContact CB-CD1 4.12Å; A288-L293 HydrophobicContact CB-CD2 4.03Å; A288-L293 HydrophobicContact CB-CG 4.06Å |
| 289 | D | 87.6 | Confident | 85.1 | Confident | 53 Ų | 53 | 68 Ų | 68 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | trans | -64.6 | 133.6 | 171.3 | -72.1 | -16.4 | 0 | 0 | 0 | 110.3 | P203 G204 E291 F292 L293 | P203-D289 HydrophobicContact CB-CB 4.25Å; P203-D289 VanDerWaalsContact CB-OD2 3.26Å; P203-D289 WeakPolarHBondContact CB-OD2 3.36Å; P203-D289 PolarHBondContact O-N 2.78Å; G204-D289 WeakPolarHBondContact CA-OD1 3.31Å; D289-E291 VanDerWaalsContact C-N 3.3Å; D289-E291 PolarHBondContact O-N 3.42Å; D289-F292 HydrophobicContact CB-CB 4.48Å; D289-F292 WeakPolarHBondContact O-CB 3.48Å; D289-F292 PolarHBondContact O-N 3.04Å; D289-L293 PolarHBondContact O-N 2.88Å | ||
| 290 | Q | 77.8 | Confident | 83.5 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | -174 | -170.8 | 64.8 | 36.1 | 0 | 0 | 111.8 | A288 F292 L293 N294 | A288-Q290 PolarHBondContact O-N 2.79Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 2.92Å; Q290-L293 PolarHBondContact O-N 3.34Å; Q290-N294 PolarHBondContact NE2-OD1 3.41Å; Q290-N294 VanDerWaalsContact NE2-OD1 3.07Å; Q290-N294 WeakPolarHBondContact O-CB 3.32Å; Q290-N294 PolarHBondContact O-N 3.48Å; Q290-N294 PolarHBondContact O-ND2 2.82Å; Q290-N294 PolarHBondContact O-OD1 3.16Å |
| 291 | E | 77.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 74.8 Ų | 74.8 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 176.2 | -66.2 | 76.1 | -165.7 | 0 | 0 | 111.3 | D289 N294 E295 | D289-E291 VanDerWaalsContact C-N 3.3Å; D289-E291 PolarHBondContact O-N 3.42Å; E291-N294 PolarHBondContact O-N 3.12Å; E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 3.37Å |
| 292 | F | 78.3 | Confident | 80 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 25% | 0.254 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.7 | 176.5 | -93.8 | 0 | 0 | 0 | 111.6 | I202 P203 D289 Q290 E295 A296 | I202-F292 HydrophobicContact CB-CE1 4.38Å; I202-F292 HydrophobicContact CG1-CE1 4.19Å; I202-F292 HydrophobicContact CG1-CZ 4.26Å; I202-F292 HydrophobicContact CG2-CD1 3.98Å; I202-F292 HydrophobicContact CG2-CE1 3.81Å; I202-F292 HydrophobicContact CG2-CZ 4.47Å; P203-F292 HydrophobicContact CG-CD2 4.22Å; D289-F292 HydrophobicContact CB-CB 4.48Å; D289-F292 WeakPolarHBondContact O-CB 3.48Å; D289-F292 PolarHBondContact O-N 3.04Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 2.92Å; F292-E295 PolarHBondContact O-N 3.38Å; F292-A296 PolarHBondContact O-N 3.34Å |
| 293 | L | 75.4 | Confident | 77.9 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 23% | 0.23 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.1 | -63.4 | 178.9 | 0 | 0 | 0 | 111.5 | A159 A288 D289 Q290 E295 A296 D297 | A159-L293 HydrophobicContact CB-CD2 3.84Å; A288-L293 HydrophobicContact CB-CD1 4.12Å; A288-L293 HydrophobicContact CB-CD2 4.03Å; A288-L293 HydrophobicContact CB-CG 4.06Å; D289-L293 PolarHBondContact O-N 2.88Å; Q290-L293 PolarHBondContact O-N 3.34Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 3.05Å; L293-A296 WeakPolarHBondContact O-CB 3.28Å; L293-A296 PolarHBondContact O-N 2.83Å; L293-A296 VanDerWaalsContact O-N 3.17Å; L293-D297 PolarHBondContact O-N 3.02Å |
| 294 | N | 73.5 | Confident | 75.8 | Confident | 74 Ų | 74 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 179.3 | -66.4 | -16.4 | 0 | 0 | 0 | 112.3 | Q290 E291 K298 | Q290-N294 PolarHBondContact NE2-OD1 3.41Å; Q290-N294 VanDerWaalsContact NE2-OD1 3.07Å; Q290-N294 WeakPolarHBondContact O-CB 3.32Å; Q290-N294 PolarHBondContact O-N 3.48Å; Q290-N294 PolarHBondContact O-ND2 2.82Å; Q290-N294 PolarHBondContact O-OD1 3.16Å; E291-N294 PolarHBondContact O-N 3.12Å; N294-K298 WeakPolarHBondContact O-CG 3.49Å; N294-K298 PolarHBondContact O-N 3.4Å; N294-K298 VanDerWaalsContact O-N 3.16Å |
| 295 | E | 75 | Confident | 73.4 | Confident | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.3 | -39.9 | 174.1 | -77.9 | -174.3 | 179.7 | 0 | 0 | 112.6 | E291 F292 L293 D297 K298 K299 | E291-E295 WeakPolarHBondContact O-CG 3.49Å; E291-E295 PolarHBondContact O-N 3.37Å; F292-E295 PolarHBondContact O-N 3.38Å; L293-E295 VanDerWaalsContact C-N 3.29Å; L293-E295 PolarHBondContact O-N 3.05Å; E295-D297 VanDerWaalsContact C-N 3.35Å; E295-K298 PolarHBondContact O-N 3.22Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 VanDerWaalsContact O-N 3.08Å |
| 296 | A | 71.1 | Confident | 70.8 | Confident | 36 Ų | 36 | 100.3 Ų | 100.3 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F292 L293 K298 K299 A300 | F292-A296 PolarHBondContact O-N 3.34Å; L293-A296 WeakPolarHBondContact O-CB 3.28Å; L293-A296 PolarHBondContact O-N 2.83Å; L293-A296 VanDerWaalsContact O-N 3.17Å; A296-K298 PolarHBondContact O-N 3.49Å; A296-K299 PolarHBondContact O-N 3.33Å; A296-A300 PolarHBondContact O-N 3.34Å |
| 297 | D | 70.3 | Confident | 69.6 | Low | 79 Ų | 79 | 102.1 Ų | 102.1 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.4 | -69.4 | -17.2 | 0 | 0 | 0 | 111.9 | L293 E295 K299 A300 N301 | L293-D297 PolarHBondContact O-N 3.02Å; E295-D297 VanDerWaalsContact C-N 3.35Å; D297-K299 VanDerWaalsContact C-N 3.35Å; D297-K299 PolarHBondContact O-N 3.45Å; D297-A300 PolarHBondContact O-N 3.07Å; D297-N301 WeakPolarHBondContact O-CB 3.35Å; D297-N301 VanDerWaalsContact O-CG 3.26Å; D297-N301 PolarHBondContact O-N 3.24Å; D297-N301 PolarHBondContact O-ND2 3.1Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å |
| 298 | K | 68.9 | Low | 68.5 | Low | 153 Ų | 153 | 98.7 Ų | 98.7 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 174.7 | -77.8 | 174.7 | -177.1 | 176.9 | 0 | 112.4 | N294 E295 A296 S302 | N294-K298 WeakPolarHBondContact O-CG 3.49Å; N294-K298 PolarHBondContact O-N 3.4Å; N294-K298 VanDerWaalsContact O-N 3.16Å; E295-K298 PolarHBondContact O-N 3.22Å; A296-K298 PolarHBondContact O-N 3.49Å; K298-S302 PolarHBondContact O-N 3.4Å; K298-S302 VanDerWaalsContact O-N 3.16Å; K298-S302 PolarHBondContact O-OG 3.05Å |
| 299 | K | 67.9 | Low | 67.2 | Low | 139 Ų | 139 | 102.7 Ų | 102.7 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 177.5 | -77.4 | -179.5 | 179.8 | 174.5 | 0 | 111.6 | E295 A296 D297 N301 S302 E303 | E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 VanDerWaalsContact O-N 3.08Å; A296-K299 PolarHBondContact O-N 3.33Å; D297-K299 VanDerWaalsContact C-N 3.35Å; D297-K299 PolarHBondContact O-N 3.45Å; K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.48Å; K299-S302 WeakPolarHBondContact CA-OG 3.37Å; K299-S302 PolarHBondContact O-N 3.48Å; K299-S302 PolarHBondContact O-OG 3.46Å; K299-E303 PolarHBondContact O-N 3.49Å |
| 300 | A | 64.4 | Low | 66 | Low | 50 Ų | 50 | 105.6 Ų | 105.6 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.2 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A296 D297 S302 E303 | A296-A300 PolarHBondContact O-N 3.34Å; D297-A300 PolarHBondContact O-N 3.07Å; A300-S302 VanDerWaalsContact C-N 3.3Å; A300-S302 PolarHBondContact O-N 3.43Å; A300-E303 PolarHBondContact O-N 3.18Å |
| 301 | N | 60.8 | Low | 65.3 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.4 | -20.2 | 178.3 | -67.7 | -27.2 | 0 | 0 | 0 | 113.8 | D297 K299 | D297-N301 WeakPolarHBondContact O-CB 3.35Å; D297-N301 VanDerWaalsContact O-CG 3.26Å; D297-N301 PolarHBondContact O-N 3.24Å; D297-N301 PolarHBondContact O-ND2 3.1Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å; K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.48Å |
| 302 | S | 60.8 | Low | 64.5 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -83.3 | -20.6 | 176.4 | 64.9 | 0 | 0 | 0 | 0 | 114 | K298 K299 A300 | K298-S302 PolarHBondContact O-N 3.4Å; K298-S302 VanDerWaalsContact O-N 3.16Å; K298-S302 PolarHBondContact O-OG 3.05Å; K299-S302 WeakPolarHBondContact CA-OG 3.37Å; K299-S302 PolarHBondContact O-N 3.48Å; K299-S302 PolarHBondContact O-OG 3.46Å; A300-S302 VanDerWaalsContact C-N 3.3Å; A300-S302 PolarHBondContact O-N 3.43Å |
| 303 | E | 56.2 | Low | 63.5 | Low | 146 Ų | 146 | 106.6 Ų | 106.6 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85 | -18.8 | 178.4 | -71.5 | 177.7 | 177.1 | 0 | 0 | 112.7 | K299 A300 S306 | K299-E303 PolarHBondContact O-N 3.49Å; A300-E303 PolarHBondContact O-N 3.18Å; E303-S306 PolarHBondContact O-OG 3.17Å |
| 304 | D | 53.8 | Low | 62.6 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -10.4 | 178.7 | -142.1 | 19 | 0 | 0 | 0 | 112.8 | ||
| 305 | D | 48.1 | Very low | 61.7 | Low | 157 Ų | 157 | 114.5 Ų | 114.5 | 84% | 0.84 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 6.1 | -179.3 | -112.1 | -8.5 | 0 | 0 | 0 | 113.2 | ||
| 306 | S | 42.9 | Very low | 60.5 | Low | 152 Ų | 152 | 113.8 Ų | 113.8 | 100% | 1.063 | 63% | 0.63 | S | S | * | * | trans | -120.5 | 0 | -178.7 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | E303 | E303-S306 PolarHBondContact O-OG 3.17Š|
Retrieved 306 of 306 residues in 232.2 ms
(Link to these results)