| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.2 | Very low | 59.8 | Low | 241 Ų | 241 | 150.3 Ų | 150.3 | 100% | 1.187 | 82% | 0.818 | S | S | * | * | 0 | 121.2 | 0 | -66.4 | 87.8 | 176 | 0 | 0 | 108.7 | |||||
| 2 | R | 48 | Very low | 60.2 | Low | 236 Ų | 236 | 157.8 Ų | 157.8 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 137.3 | 167.1 | -78.1 | -172.2 | -163.8 | 166.8 | 5.4 | 108 | ||
| 3 | P | 65.3 | Low | 60.7 | Low | 117 Ų | 117 | 153.7 Ų | 153.7 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.6 | 179.2 | 31.5 | -32.3 | 0 | 0 | 0 | 109.9 | N5 | P3-N5 PolarHBondContact O-N 2.84Š|
| 4 | H | 60.5 | Low | 61.1 | Low | 166 Ų | 166 | 150.4 Ų | 150.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 117 | 169.7 | -96.9 | -111 | 0 | 0 | 0 | 109.3 | N6 | H4-N6 PolarHBondContact O-N 3.33Š|
| 5 | N | 65.2 | Low | 61.7 | Low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -75.4 | 101.4 | 161 | -84.6 | 11.2 | 0 | 0 | 0 | 108 | P3 E7 | P3-N5 PolarHBondContact O-N 2.84Å; N5-E7 PolarHBondContact O-N 3.34Å; N5-E7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | N | 59.8 | Low | 61.8 | Low | 131 Ų | 131 | 153.8 Ų | 153.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -82.9 | 59.9 | 172.2 | -73.6 | -7.9 | 0 | 0 | 0 | 110.7 | H4 S8 | H4-N6 PolarHBondContact O-N 3.33Å; N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 2.83Å | ||
| 7 | E | 67.8 | Low | 62 | Low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -81.8 | 84.3 | 172.9 | -66.1 | -173 | 137.9 | 0 | 0 | 109.1 | N5 C9 | N5-E7 PolarHBondContact O-N 3.34Å; N5-E7 VanDerWaalsContact O-N 3.14Å; E7-C9 PolarHBondContact O-N 3.08Å | ||
| 8 | S | 56.5 | Low | 62.6 | Low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -55.2 | 106.2 | 168 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | N6 A10 | N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 2.83Å; S8-A10 PolarHBondContact O-N 3.02Å | ||
| 9 | C | 63.2 | Low | 62.9 | Low | 139 Ų | 139 | 153.5 Ų | 153.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 51 | -175.9 | -149.8 | 0 | 0 | 0 | 0 | 112.2 | E7 | E7-C9 PolarHBondContact O-N 3.08Š| ||
| 10 | A | 61.6 | Low | 62.9 | Low | 86 Ų | 86 | 154.4 Ų | 154.4 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -115.5 | 30.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S8 | S8-A10 PolarHBondContact O-N 3.02Š| ||
| 11 | T | 62.2 | Low | 63 | Low | 130 Ų | 130 | 157.9 Ų | 157.9 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | -137.6 | 67.2 | 171.8 | -39.2 | 0 | 0 | 0 | 0 | 110.4 | P13 | T11-P13 WeakPolarHBondContact O-CD 3.5Š| ||
| 12 | R | 63.6 | Low | 63.5 | Low | 240 Ų | 240 | 151.7 Ų | 151.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -80.1 | 114 | 157.4 | -156 | 176.7 | -167.7 | -154.3 | 3.5 | 106 | S14 | R12-S14 PolarHBondContact O-N 3.43Š| ||
| 13 | P | 66.7 | Low | 64 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134 | 175.4 | -18.5 | 30.2 | 0 | 0 | 0 | 108.2 | T11 | T11-P13 WeakPolarHBondContact O-CD 3.5Š|
| 14 | S | 66.7 | Low | 63.4 | Low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 130.7 | 167.1 | -171.2 | 0 | 0 | 0 | 0 | 107.6 | R12 R16 | R12-S14 PolarHBondContact O-N 3.43Å; S14-R16 PolarHBondContact O-N 2.83Å; S14-R16 VanDerWaalsContact O-N 3.15Å |
| 15 | P | 69.8 | Low | 63.1 | Low | 113 Ų | 113 | 146.9 Ų | 146.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 128.7 | 176.6 | -20.4 | 29.7 | 0 | 0 | 0 | 107.8 | S17 | P15-S17 PolarHBondContact O-N 2.89Å; P15-S17 VanDerWaalsContact O-N 3.12Å |
| 16 | R | 64.4 | Low | 62.8 | Low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -44.2 | 127.9 | 171.8 | -79 | -179.3 | 179.6 | 163.4 | -0.1 | 107.6 | S14 R18 | S14-R16 PolarHBondContact O-N 2.83Å; S14-R16 VanDerWaalsContact O-N 3.15Å; R16-R18 PolarHBondContact O-N 3.17Å | ||
| 17 | S | 65.4 | Low | 62.3 | Low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -50 | 112.4 | 171.7 | 41 | 0 | 0 | 0 | 0 | 106.6 | P15 | P15-S17 PolarHBondContact O-N 2.89Å; P15-S17 VanDerWaalsContact O-N 3.12Å | ||
| 18 | R | 72.1 | Confident | 62 | Low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -56.6 | 129.9 | 168.4 | -111.3 | 179.9 | -94.1 | -114 | 0.7 | 104.6 | R16 L20 | R16-R18 PolarHBondContact O-N 3.17Å; R18-L20 PolarHBondContact O-N 2.81Å | ||
| 19 | P | 67.8 | Low | 62 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | -47.8 | 125.5 | 168.2 | -22.3 | 31.2 | 0 | 0 | 0 | 106.4 | R21 | P19-R21 VanDerWaalsContact C-N 3.28Å; P19-R21 PolarHBondContact O-N 3.17Å | ||
| 20 | L | 64.1 | Low | 62 | Low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 72% | 0.723 | S | S | * | * | trans | -52.3 | 105.6 | 169.6 | -76.7 | 155.8 | 0 | 0 | 0 | 104.6 | R18 P22 | R18-L20 PolarHBondContact O-N 2.81Å; L20-P22 VanDerWaalsContact O-CD 3.22Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; L20-P22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | R | 63.9 | Low | 62.4 | Low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -59.4 | 120.4 | 171.7 | -169.6 | 176.7 | -125.3 | -121.7 | 1.1 | 102.9 | P19 T23 | P19-R21 VanDerWaalsContact C-N 3.28Å; P19-R21 PolarHBondContact O-N 3.17Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 3.4Å | ||
| 22 | P | 59.6 | Low | 62.9 | Low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -55.5 | 111.7 | 167.4 | -16 | 28.6 | 0 | 0 | 0 | 103.9 | L20 W24 | L20-P22 VanDerWaalsContact O-CD 3.22Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; L20-P22 VanDerWaalsContact O-N 3.09Å; P22-W24 PolarHBondContact O-N 3.24Å | ||
| 23 | T | 57.7 | Low | 63.6 | Low | 135 Ų | 135 | 133.4 Ų | 133.4 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | trans | -64.4 | 80.7 | 150 | 29.6 | 0 | 0 | 0 | 0 | 103.4 | R21 S25 | R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 3.4Å; T23-S25 PolarHBondContact O-N 3.07Å | ||
| 24 | W | 52.3 | Low | 64.3 | Low | 212 Ų | 212 | 134.9 Ų | 134.9 | 80% | 0.803 | 68% | 0.681 | S | S | * | * | trans | -52 | 85.7 | 138.1 | 131.3 | -77.7 | 0 | 0 | 0 | 102.6 | P22 P26 | P22-W24 PolarHBondContact O-N 3.24Å; W24-P26 HydrophobicContact CZ2-CB 4.45Å | ||
| 25 | S | 55.4 | Low | 65.1 | Low | 72 Ų | 72 | 130.6 Ų | 130.6 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | trans | -66.3 | 127 | 146.6 | -171.9 | 0 | 0 | 0 | 0 | 101.7 | T23 | T23-S25 PolarHBondContact O-N 3.07Š| ||
| 26 | P | 57.7 | Low | 65.8 | Low | 61 Ų | 61 | 128.9 Ų | 128.9 | 40% | 0.396 | 64% | 0.639 | S | S | . | * | trans | -50.9 | 159.9 | 154 | 19.8 | -19.1 | 0 | 0 | 0 | 106.7 | W24 I28 | W24-P26 HydrophobicContact CZ2-CB 4.45Å; P26-I28 HydrophobicContact CG-CD1 4.19Å; P26-I28 HydrophobicContact CG-CG1 3.81Å; P26-I28 PolarHBondContact O-N 3.39Å | ||
| 27 | D | 50.7 | Low | 66.3 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 63% | 0.633 | S | S | * | * | trans | -55.8 | 81.2 | 163.5 | -89.1 | -44.5 | 0 | 0 | 0 | 107.9 | H29 | D27-H29 PolarHBondContact O-N 3.35Š| ||
| 28 | I | 59.9 | Low | 66.6 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 46% | 0.456 | 63% | 0.628 | S | S | . | * | trans | -78.6 | 94.6 | 167.4 | -64.7 | 177 | 0 | 0 | 0 | 99 | P26 V30 | P26-I28 HydrophobicContact CG-CD1 4.19Å; P26-I28 HydrophobicContact CG-CG1 3.81Å; P26-I28 PolarHBondContact O-N 3.39Å; I28-V30 HydrophobicContact CB-CG2 4.34Å; I28-V30 HydrophobicContact CG2-CG2 3.63Å; I28-V30 PolarHBondContact O-N 2.85Å | ||
| 29 | H | 56.4 | Low | 66.6 | Low | 158 Ų | 158 | 122.5 Ų | 122.5 | 73% | 0.731 | 62% | 0.615 | S | S | * | * | trans | -54.7 | 88.9 | 157.4 | -68.6 | -81.8 | 0 | 0 | 0 | 105.7 | D27 E31 | D27-H29 PolarHBondContact O-N 3.35Å; H29-E31 PolarHBondContact O-N 3.45Å | ||
| 30 | V | 64.7 | Low | 66.9 | Low | 46 Ų | 46 | 118.4 Ų | 118.4 | 28% | 0.279 | 59% | 0.591 | S | S | . | * | trans | -71.7 | 92.8 | 171.6 | 170.1 | 0 | 0 | 0 | 0 | 104 | I28 Y32 T53 | I28-V30 HydrophobicContact CB-CG2 4.34Å; I28-V30 HydrophobicContact CG2-CG2 3.63Å; I28-V30 PolarHBondContact O-N 2.85Å; V30-Y32 HydrophobicContact CB-CE2 4.08Å; V30-Y32 HydrophobicContact CG1-CD1 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.1Å; V30-Y32 HydrophobicContact CG1-CE1 3.75Å; V30-Y32 HydrophobicContact CG1-CE2 3.66Å; V30-Y32 HydrophobicContact CG1-CG 4.35Å; V30-Y32 VanDerWaalsContact CG1-CZ 3.46Å; V30-Y32 WeakPolarHBondContact O-CD2 3.27Å; V30-Y32 WeakPolarHBondContact O-CE2 3.03Å; V30-Y32 PolarHBondContact O-N 3.05Å; V30-Y32 VanDerWaalsContact O-N 3.15Å; V30-T53 HydrophobicContact CB-CG2 4.43Å; V30-T53 HydrophobicContact CG1-CG2 3.32Å; V30-T53 HydrophobicContact CG2-CG2 4.47Å | ||
| 31 | E | 68.5 | Low | 67.4 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | trans | -67 | 113.5 | 172.4 | -163.4 | 66.5 | -150.4 | 0 | 0 | 107 | H29 E33 | H29-E31 PolarHBondContact O-N 3.45Å; E31-E33 HydrophobicContact CG-CG 4.22Å | ||
| 32 | Y | 74.1 | Confident | 68.3 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.6 | 173.4 | -66.1 | -83.2 | 0 | 0 | 0 | 107.6 | V30 F51 | V30-Y32 HydrophobicContact CB-CE2 4.08Å; V30-Y32 HydrophobicContact CG1-CD1 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.1Å; V30-Y32 HydrophobicContact CG1-CE1 3.75Å; V30-Y32 HydrophobicContact CG1-CE2 3.66Å; V30-Y32 HydrophobicContact CG1-CG 4.35Å; V30-Y32 VanDerWaalsContact CG1-CZ 3.46Å; V30-Y32 WeakPolarHBondContact O-CD2 3.27Å; V30-Y32 WeakPolarHBondContact O-CE2 3.03Å; V30-Y32 PolarHBondContact O-N 3.05Å; V30-Y32 VanDerWaalsContact O-N 3.15Å; Y32-F51 AromaticContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CE2 4.07Å; Y32-F51 HydrophobicContact CD1-CG 4.35Å; Y32-F51 AromaticContact CE1-CD2 3.92Å; Y32-F51 HydrophobicContact CE1-CD2 3.92Å; Y32-F51 AromaticContact CE1-CE2 3.85Å; Y32-F51 HydrophobicContact CE1-CE2 3.85Å |
| 33 | E | 77.4 | Confident | 69.7 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 34% | 0.341 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 146.6 | 172.8 | -65.5 | 179.7 | 165.9 | 0 | 0 | 109.7 | E31 R52 | E31-E33 HydrophobicContact CG-CG 4.22Å; E33-R52 HydrophobicContact CB-CG 3.77Å; E33-R52 PolarHBondContact N-O 3.39Å; E33-R52 WeakPolarHBondContact O-CG 3.19Å; E33-R52 PolarHBondContact O-N 3.35Å; E33-R52 IonicContact OE2-CZ 3.13Å; E33-R52 IonicContact OE2-NE 2.81Å; E33-R52 PolarHBondContact OE2-NE 3.1Å; E33-R52 IonicContact OE2-NH2 2.66Å; E33-R52 PolarHBondContact OE2-NH2 3.17Å |
| 34 | N | 82.6 | Confident | 71.4 | Confident | 136 Ų | 136 | 100.6 Ų | 100.6 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 143.5 | 172.5 | -76.2 | 3.3 | 0 | 0 | 0 | 110.3 | ||
| 35 | C | 83.7 | Confident | 73.3 | Confident | 16 Ų | 16 | 93.9 Ų | 93.9 | 11% | 0.108 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -63 | 150.5 | 172.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | A40 C50 | C35-A40 HydrophobicContact CB-CB 3.83Å; C35-C50 HydrophobicContact CB-CB 3.69Å; C35-C50 WeakPolarHBondContact CB-SG 3.35Å; C35-C50 WeakPolarHBondContact SG-CB 3.44Å; C35-C50 PolarHBondContact SG-O 2.97Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.44Å |
| 36 | T | 83.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 93.3 Ų | 93.3 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 139.4 | 166.7 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | D38 Y39 A40 | T36-D38 PolarHBondContact O-N 3.06Å; T36-Y39 PolarHBondContact O-N 3.27Å; T36-A40 PolarHBondContact O-N 3.18Å |
| 37 | E | 74.8 | Confident | 76.6 | Confident | 171 Ų | 171 | 96.4 Ų | 96.4 | 80% | 0.799 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -49.8 | -40.2 | -168.1 | -77 | -154 | 157.7 | 0 | 0 | 114.6 | Y39 A40 A41 | E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-A41 PolarHBondContact O-N 3Å; E37-A41 VanDerWaalsContact O-N 3.13Å |
| 38 | D | 72.1 | Confident | 78.4 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 68% | 0.684 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -42.9 | -179 | -59.9 | -34.3 | 0 | 0 | 0 | 112.4 | T36 L42 | T36-D38 PolarHBondContact O-N 3.06Å; D38-L42 WeakPolarHBondContact O-CD1 3.33Å |
| 39 | Y | 73.1 | Confident | 79.8 | Confident | 149 Ų | 149 | 90.3 Ų | 90.3 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -81.7 | -31 | 177.6 | -76.6 | -83.1 | 0 | 0 | 0 | 112 | T36 E37 A41 F43 | T36-Y39 PolarHBondContact O-N 3.27Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; Y39-A41 PolarHBondContact O-N 3.45Å; Y39-F43 WeakPolarHBondContact O-CB 3.22Å; Y39-F43 PolarHBondContact O-N 2.87Å |
| 40 | A | 72.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 83.2 Ų | 83.2 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C35 T36 E37 C50 | C35-A40 HydrophobicContact CB-CB 3.83Å; T36-A40 PolarHBondContact O-N 3.18Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-C50 HydrophobicContact CB-CB 4.08Å |
| 41 | A | 74.8 | Confident | 82.6 | Confident | 83 Ų | 83 | 83.3 Ų | 83.3 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -79.2 | -26.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E37 Y39 | E37-A41 PolarHBondContact O-N 3Å; E37-A41 VanDerWaalsContact O-N 3.13Å; Y39-A41 PolarHBondContact O-N 3.45Å |
| 42 | L | 83.6 | Confident | 83.4 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -100 | -29.9 | -172.9 | -72.9 | 165.4 | 0 | 0 | 0 | 113 | D38 R73 | D38-L42 WeakPolarHBondContact O-CD1 3.33Å; L42-R73 PolarHBondContact O-NH2 2.93Å |
| 43 | F | 89.7 | Confident | 83.9 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 23% | 0.228 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -78.8 | -49.8 | -176.4 | -172.7 | -109.6 | 0 | 0 | 0 | 111.9 | Y39 I61 C63 R73 | Y39-F43 WeakPolarHBondContact O-CB 3.22Å; Y39-F43 PolarHBondContact O-N 2.87Å; F43-I61 HydrophobicContact CD1-CG2 3.84Å; F43-I61 HydrophobicContact CE1-CG2 3.96Å; F43-C63 WeakPolarHBondContact CD1-SG 3.44Å; F43-R73 HydrophobicContact CD2-CG 4.3Å; F43-R73 HydrophobicContact CE1-CG 4.22Å; F43-R73 HydrophobicContact CE2-CG 3.91Å; F43-R73 HydrophobicContact CZ-CG 3.87Å; F43-R73 WeakPolarHBondContact O-CB 3.49Å; F43-R73 WeakPolarHBondContact O-CG 3.32Å; F43-R73 PolarHBondContact O-NE 3.29Å; F43-R73 PolarHBondContact O-NH2 3.48Å |
| 44 | C | 92 | Very high | 84.1 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 5% | 0.054 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -87 | 122 | 178.3 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | G48 C50 C63 | C44-G48 VanDerWaalsContact CB-O 3.26Å; C44-G48 WeakPolarHBondContact CB-O 3.3Å; C44-C50 VanDerWaalsContact SG-CA 3.55Å; C44-C50 VanDerWaalsContact SG-CB 3.55Å; C44-C63 WeakPolarHBondContact CA-SG 3.15Å; C44-C63 HydrophobicContact CB-CB 3.85Å; C44-C63 WeakPolarHBondContact CB-SG 3.46Å; C44-C63 VanDerWaalsContact SG-CA 3.51Å; C44-C63 WeakPolarHBondContact SG-CB 3.26Å; C44-C63 CovalentContact SG-SG 2.03Å; C44-C63 PolarHBondContact SG-SG 3.47Å |
| 45 | L | 92.5 | Very high | 83.9 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | trans | -89.4 | 166.9 | 177.9 | -59.1 | 173.1 | 0 | 0 | 0 | 110.2 | D47 G48 R73 C74 E75 | L45-D47 PolarHBondContact O-N 3.18Å; L45-G48 PolarHBondContact O-N 3.27Å; L45-R73 WeakPolarHBondContact CB-O 3.38Å; L45-R73 PolarHBondContact N-O 3.48Å; L45-C74 WeakPolarHBondContact O-CB 3.34Å; L45-E75 HydrophobicContact CD1-CB 4.04Å | ||
| 46 | N | 92.4 | Very high | 83.6 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.4 | 170.2 | -54.7 | -55 | 0 | 0 | 0 | 114.7 | G48 W69 C74 | N46-G48 PolarHBondContact O-N 2.85Å; N46-W69 HydrophobicContact CB-CD2 3.67Å; N46-W69 HydrophobicContact CB-CE3 4.02Å; N46-W69 HydrophobicContact CB-CG 4.05Å; N46-W69 HydrophobicContact CB-CH2 4.38Å; N46-W69 HydrophobicContact CB-CZ2 4.05Å; N46-W69 HydrophobicContact CB-CZ3 4.37Å; N46-W69 WeakPolarHBondContact ND2-CZ3 3.39Å; N46-C74 PolarHBondContact ND2-O 3.43Å |
| 47 | D | 89.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 81.5 Ų | 81.5 | 67% | 0.674 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 27 | -176 | -49.7 | -36.1 | 0 | 0 | 0 | 114.1 | L45 K66 | L45-D47 PolarHBondContact O-N 3.18Å; D47-K66 HydrophobicContact CB-CD 4.22Å; D47-K66 IonicContact OD2-NZ 2.97Å; D47-K66 PolarHBondContact OD2-NZ 2.82Å |
| 48 | G | 89.3 | Confident | 83.5 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 13% | 0.134 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C44 L45 N46 E64 | C44-G48 VanDerWaalsContact CB-O 3.26Å; C44-G48 WeakPolarHBondContact CB-O 3.3Å; L45-G48 PolarHBondContact O-N 3.27Å; N46-G48 PolarHBondContact O-N 2.85Å; G48-E64 CarbonylContact C-O 3.5Å; G48-E64 VanDerWaalsContact CA-O 3.29Å; G48-E64 WeakPolarHBondContact CA-O 3.4Å |
| 49 | I | 89.6 | Confident | 84 | Confident | 101 Ų | 101 | 76.8 Ų | 76.8 | 52% | 0.518 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.7 | 179.8 | -57.3 | 174.4 | 0 | 0 | 0 | 109 | C63 E64 | I49-C63 WeakPolarHBondContact O-CA 3.36Å; I49-E64 HydrophobicContact CB-CB 4.29Å; I49-E64 PolarHBondContact N-O 3.16Å; I49-E64 PolarHBondContact O-N 2.79Å |
| 50 | C | 90.7 | Very high | 84.6 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.5 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | C35 A40 C44 | C35-C50 HydrophobicContact CB-CB 3.69Å; C35-C50 WeakPolarHBondContact CB-SG 3.35Å; C35-C50 WeakPolarHBondContact SG-CB 3.44Å; C35-C50 PolarHBondContact SG-O 2.97Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.44Å; A40-C50 HydrophobicContact CB-CB 4.08Å; C44-C50 VanDerWaalsContact SG-CA 3.55Å; C44-C50 VanDerWaalsContact SG-CB 3.55Å |
| 51 | F | 88.7 | Confident | 85.3 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.9 | 171.8 | 64.4 | -89 | 0 | 0 | 0 | 111.1 | Y32 S62 E64 | Y32-F51 AromaticContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CE2 4.07Å; Y32-F51 HydrophobicContact CD1-CG 4.35Å; Y32-F51 AromaticContact CE1-CD2 3.92Å; Y32-F51 HydrophobicContact CE1-CD2 3.92Å; Y32-F51 AromaticContact CE1-CE2 3.85Å; Y32-F51 HydrophobicContact CE1-CE2 3.85Å; F51-S62 VanDerWaalsContact CE2-CB 3.49Å; F51-S62 PolarHBondContact N-O 3.31Å; F51-S62 PolarHBondContact O-N 2.88Å; F51-S62 VanDerWaalsContact O-O 3.11Å; F51-E64 HydrophobicContact CD1-CB 4.28Å; F51-E64 HydrophobicContact CE1-CB 4.01Å |
| 52 | R | 86.3 | Confident | 86 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.4 | 171.7 | 73.2 | -178.7 | -174.7 | -162.6 | -2.3 | 110 | E33 F59 I60 I61 | E33-R52 HydrophobicContact CB-CG 3.77Å; E33-R52 PolarHBondContact N-O 3.39Å; E33-R52 WeakPolarHBondContact O-CG 3.19Å; E33-R52 PolarHBondContact O-N 3.35Å; E33-R52 IonicContact OE2-CZ 3.13Å; E33-R52 IonicContact OE2-NE 2.81Å; E33-R52 PolarHBondContact OE2-NE 3.1Å; E33-R52 IonicContact OE2-NH2 2.66Å; E33-R52 PolarHBondContact OE2-NH2 3.17Å; R52-F59 HydrophobicContact CG-CD1 4.49Å; R52-I60 CarbonylContact C-O 3.41Å; R52-I60 WeakPolarHBondContact CA-O 3.03Å; R52-I61 HydrophobicContact CB-CG1 4.33Å |
| 53 | T | 84.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.086 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.5 | 177.8 | -71.7 | 0 | 0 | 0 | 0 | 108.9 | V30 I55 F59 I60 | V30-T53 HydrophobicContact CB-CG2 4.43Å; V30-T53 HydrophobicContact CG1-CG2 3.32Å; V30-T53 HydrophobicContact CG2-CG2 4.47Å; T53-I55 HydrophobicContact CG2-CD1 4.25Å; T53-I55 HydrophobicContact CG2-CG1 3.73Å; T53-F59 WeakPolarHBondContact O-CA 3.41Å; T53-I60 PolarHBondContact N-O 2.98Å; T53-I60 PolarHBondContact O-N 3.33Å |
| 54 | K | 81.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 114.1 | 173.2 | -169.5 | 179.6 | 178.5 | -177.5 | 0 | 110.2 | F59 | K54-F59 HydrophobicContact CB-CD1 4.15Å; K54-F59 HydrophobicContact CB-CE1 4.03Å; K54-F59 HydrophobicContact CD-CE1 4.23Å; K54-F59 HydrophobicContact CG-CD1 4.38Å; K54-F59 HydrophobicContact CG-CE1 4.03Å |
| 55 | I | 78.3 | Confident | 86.4 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 38% | 0.379 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112 | 172.2 | -52.4 | -166.3 | 0 | 0 | 0 | 108.7 | T53 D57 T58 I60 | T53-I55 HydrophobicContact CG2-CD1 4.25Å; T53-I55 HydrophobicContact CG2-CG1 3.73Å; I55-D57 PolarHBondContact O-N 2.89Å; I55-T58 PolarHBondContact N-O 3.03Å; I55-T58 PolarHBondContact O-N 2.88Å; I55-T58 PolarHBondContact O-OG1 3.36Å; I55-T58 VanDerWaalsContact O-OG1 3.13Å; I55-I60 HydrophobicContact CD1-CD1 3.47Å; I55-I60 VanDerWaalsContact CD1-CD1 3.47Å; I55-I60 HydrophobicContact CD1-CG1 4.23Å; I55-I60 HydrophobicContact CG1-CD1 4.1Å; I55-I60 HydrophobicContact CG1-CG1 4.38Å |
| 56 | V | 76.9 | Confident | 86.3 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 72% | 0.721 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -94.1 | -176.6 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 57 | D | 76.3 | Confident | 86.1 | Confident | 142 Ų | 142 | 77.8 Ų | 77.8 | 76% | 0.759 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 10.3 | -178.8 | -63.8 | -47.5 | 0 | 0 | 0 | 112.8 | I55 | I55-D57 PolarHBondContact O-N 2.89Š|
| 58 | T | 80.5 | Confident | 86 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.9 | -179 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | I55 | I55-T58 PolarHBondContact N-O 3.03Å; I55-T58 PolarHBondContact O-N 2.88Å; I55-T58 PolarHBondContact O-OG1 3.36Å; I55-T58 VanDerWaalsContact O-OG1 3.13Å |
| 59 | F | 81.4 | Confident | 86.1 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.2 | 173.5 | -61.1 | -82.7 | 0 | 0 | 0 | 109.6 | R52 T53 K54 | R52-F59 HydrophobicContact CG-CD1 4.49Å; T53-F59 WeakPolarHBondContact O-CA 3.41Å; K54-F59 HydrophobicContact CB-CD1 4.15Å; K54-F59 HydrophobicContact CB-CE1 4.03Å; K54-F59 HydrophobicContact CD-CE1 4.23Å; K54-F59 HydrophobicContact CG-CD1 4.38Å; K54-F59 HydrophobicContact CG-CE1 4.03Å |
| 60 | I | 85.8 | Confident | 86.2 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 40% | 0.395 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.3 | 171.1 | -57.5 | -169.5 | 0 | 0 | 0 | 107.8 | R52 T53 I55 | R52-I60 CarbonylContact C-O 3.41Å; R52-I60 WeakPolarHBondContact CA-O 3.03Å; T53-I60 PolarHBondContact N-O 2.98Å; T53-I60 PolarHBondContact O-N 3.33Å; I55-I60 HydrophobicContact CD1-CD1 3.47Å; I55-I60 VanDerWaalsContact CD1-CD1 3.47Å; I55-I60 HydrophobicContact CD1-CG1 4.23Å; I55-I60 HydrophobicContact CG1-CD1 4.1Å; I55-I60 HydrophobicContact CG1-CG1 4.38Å |
| 61 | I | 86.7 | Confident | 86.2 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.7 | 177.5 | -59.9 | 171.3 | 0 | 0 | 0 | 108.5 | F43 R52 | F43-I61 HydrophobicContact CD1-CG2 3.84Å; F43-I61 HydrophobicContact CE1-CG2 3.96Å; R52-I61 HydrophobicContact CB-CG1 4.33Å |
| 62 | S | 89.2 | Confident | 86.3 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 157.2 | -179.9 | -68 | 0 | 0 | 0 | 0 | 110.4 | F51 | F51-S62 VanDerWaalsContact CE2-CB 3.49Å; F51-S62 PolarHBondContact N-O 3.31Å; F51-S62 PolarHBondContact O-N 2.88Å; F51-S62 VanDerWaalsContact O-O 3.11Å |
| 63 | C | 91.5 | Very high | 86.6 | Confident | 20 Ų | 20 | 84.9 Ų | 84.9 | 14% | 0.135 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.8 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | F43 C44 I49 | F43-C63 WeakPolarHBondContact CD1-SG 3.44Å; C44-C63 WeakPolarHBondContact CA-SG 3.15Å; C44-C63 HydrophobicContact CB-CB 3.85Å; C44-C63 WeakPolarHBondContact CB-SG 3.46Å; C44-C63 VanDerWaalsContact SG-CA 3.51Å; C44-C63 WeakPolarHBondContact SG-CB 3.26Å; C44-C63 CovalentContact SG-SG 2.03Å; C44-C63 PolarHBondContact SG-SG 3.47Å; I49-C63 WeakPolarHBondContact O-CA 3.36Å |
| 64 | E | 91.4 | Very high | 87 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.2 | 166 | -174.9 | 177.4 | -176.3 | 0 | 0 | 108.9 | G48 I49 F51 | G48-E64 CarbonylContact C-O 3.5Å; G48-E64 VanDerWaalsContact CA-O 3.29Å; G48-E64 WeakPolarHBondContact CA-O 3.4Å; I49-E64 HydrophobicContact CB-CB 4.29Å; I49-E64 PolarHBondContact N-O 3.16Å; I49-E64 PolarHBondContact O-N 2.79Å; F51-E64 HydrophobicContact CD1-CB 4.28Å; F51-E64 HydrophobicContact CE1-CB 4.01Å |
| 65 | C | 91.9 | Very high | 87.5 | Confident | 40 Ų | 40 | 82 Ų | 82 | 27% | 0.27 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -90 | 141.5 | -173.4 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | W69 C74 | C65-W69 HydrophobicContact CB-CB 4.37Å; C65-W69 VanDerWaalsContact CB-O 3.25Å; C65-W69 WeakPolarHBondContact CB-O 3.37Å; C65-C74 WeakPolarHBondContact CA-SG 3.31Å; C65-C74 HydrophobicContact CB-CB 3.76Å; C65-C74 WeakPolarHBondContact CB-SG 3.29Å; C65-C74 WeakPolarHBondContact SG-CA 3.48Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.04Å; C65-C74 PolarHBondContact SG-SG 3.41Å |
| 66 | K | 90.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.9 | 170 | -168.3 | 171.8 | -173.7 | 172.3 | 0 | 110.4 | D47 G68 W69 | D47-K66 HydrophobicContact CB-CD 4.22Å; D47-K66 IonicContact OD2-NZ 2.97Å; D47-K66 PolarHBondContact OD2-NZ 2.82Å; K66-G68 PolarHBondContact O-N 2.82Å; K66-W69 PolarHBondContact O-N 3.44Å |
| 67 | P | 88.5 | Confident | 88.7 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 81% | 0.805 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 131.9 | 176.6 | -29 | 35.6 | 0 | 0 | 0 | 112.3 | ||
| 68 | G | 87 | Confident | 89 | Confident | 22 Ų | 22 | 80.2 Ų | 80.2 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 3.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K66 Q77 D78 | K66-G68 PolarHBondContact O-N 2.82Å; G68-Q77 CarbonylContact O-C 3.54Å; G68-Q77 WeakPolarHBondContact O-CA 3.36Å; G68-Q77 WeakPolarHBondContact O-CG 3.46Å; G68-D78 PolarHBondContact O-N 2.78Å |
| 69 | W | 91.7 | Very high | 88.7 | Confident | 76 Ų | 76 | 80.7 Ų | 80.7 | 29% | 0.288 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145 | 170.3 | -64.1 | 90.8 | 0 | 0 | 0 | 111.1 | N46 C65 K66 C74 Y76 Q77 | N46-W69 HydrophobicContact CB-CD2 3.67Å; N46-W69 HydrophobicContact CB-CE3 4.02Å; N46-W69 HydrophobicContact CB-CG 4.05Å; N46-W69 HydrophobicContact CB-CH2 4.38Å; N46-W69 HydrophobicContact CB-CZ2 4.05Å; N46-W69 HydrophobicContact CB-CZ3 4.37Å; N46-W69 WeakPolarHBondContact ND2-CZ3 3.39Å; C65-W69 HydrophobicContact CB-CB 4.37Å; C65-W69 VanDerWaalsContact CB-O 3.25Å; C65-W69 WeakPolarHBondContact CB-O 3.37Å; K66-W69 PolarHBondContact O-N 3.44Å; W69-C74 HydrophobicContact CB-CB 4.23Å; W69-Y76 CarbonylContact C-O 3.58Å; W69-Y76 VanDerWaalsContact CA-O 3.25Å; W69-Y76 WeakPolarHBondContact CA-O 3.31Å; W69-Q77 HydrophobicContact CD2-CB 4.49Å; W69-Q77 HydrophobicContact CE3-CB 4.06Å; W69-Q77 HydrophobicContact CH2-CB 4.3Å; W69-Q77 HydrophobicContact CZ3-CB 3.94Å |
| 70 | Y | 91 | Very high | 87.9 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 172.2 | 178.1 | 73.4 | -84.6 | 0 | 0 | 0 | 110.8 | C74 E75 Y76 Q77 D78 | Y70-C74 CarbonylContact O-C 3.6Å; Y70-C74 WeakPolarHBondContact O-CA 3.47Å; Y70-E75 PolarHBondContact O-N 3.29Å; Y70-Y76 WeakPolarHBondContact CD1-O 3.36Å; Y70-Y76 HydrophobicContact CD2-CD2 4.14Å; Y70-Y76 HydrophobicContact CD2-CG 4.45Å; Y70-Y76 VanDerWaalsContact CE1-CB 3.47Å; Y70-Y76 AromaticContact CE2-CD2 3.86Å; Y70-Y76 HydrophobicContact CE2-CD2 3.86Å; Y70-Y76 AromaticContact CE2-CG 3.95Å; Y70-Y76 HydrophobicContact CE2-CG 3.95Å; Y70-Y76 PolarHBondContact N-O 3.23Å; Y70-Y76 WeakPolarHBondContact O-CB 3.12Å; Y70-Y76 PolarHBondContact O-N 2.89Å; Y70-Y76 VanDerWaalsContact O-O 3.13Å; Y70-Q77 VanDerWaalsContact CE1-C 3.48Å; Y70-Q77 WeakPolarHBondContact CE1-O 2.95Å; Y70-D78 HydrophobicContact CD1-CB 3.81Å; Y70-D78 HydrophobicContact CE1-CB 4.26Å |
| 71 | G | 91.2 | Very high | 86.6 | Confident | 33 Ų | 33 | 77.1 Ų | 77.1 | 34% | 0.34 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 112.4 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R73 E75 | G71-R73 PolarHBondContact O-N 2.9Å; G71-E75 WeakPolarHBondContact CA-OE2 3.3Å |
| 72 | R | 91 | Very high | 85.1 | Confident | 190 Ų | 190 | 81.1 Ų | 81.1 | 72% | 0.717 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -26.5 | -177 | -175.7 | 174.9 | 63 | 172 | -0.1 | 111.9 | E75 | R72-E75 PolarHBondContact N-OE2 3.44Å; R72-E75 VanDerWaalsContact N-OE2 3.14Å |
| 73 | R | 92.4 | Very high | 83.4 | Confident | 83 Ų | 83 | 87.7 Ų | 87.7 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 16.6 | -178.3 | -62.6 | 179.6 | 67.4 | -170.6 | -0 | 111.2 | L42 F43 L45 G71 E75 | L42-R73 PolarHBondContact O-NH2 2.93Å; F43-R73 HydrophobicContact CD2-CG 4.3Å; F43-R73 HydrophobicContact CE1-CG 4.22Å; F43-R73 HydrophobicContact CE2-CG 3.91Å; F43-R73 HydrophobicContact CZ-CG 3.87Å; F43-R73 WeakPolarHBondContact O-CB 3.49Å; F43-R73 WeakPolarHBondContact O-CG 3.32Å; F43-R73 PolarHBondContact O-NE 3.29Å; F43-R73 PolarHBondContact O-NH2 3.48Å; L45-R73 WeakPolarHBondContact CB-O 3.38Å; L45-R73 PolarHBondContact N-O 3.48Å; G71-R73 PolarHBondContact O-N 2.9Å; R73-E75 VanDerWaalsContact C-OE2 3.31Å; R73-E75 VanDerWaalsContact CA-OE2 3.32Å; R73-E75 WeakPolarHBondContact CA-OE2 3.29Å; R73-E75 PolarHBondContact N-OE2 3.31Å; R73-E75 PolarHBondContact O-N 3.45Å |
| 74 | C | 92.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 58.9 | 33 | -174.1 | -44.8 | 0 | 0 | 0 | 0 | 113.2 | L45 N46 C65 W69 Y70 | L45-C74 WeakPolarHBondContact O-CB 3.34Å; N46-C74 PolarHBondContact ND2-O 3.43Å; C65-C74 WeakPolarHBondContact CA-SG 3.31Å; C65-C74 HydrophobicContact CB-CB 3.76Å; C65-C74 WeakPolarHBondContact CB-SG 3.29Å; C65-C74 WeakPolarHBondContact SG-CA 3.48Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.04Å; C65-C74 PolarHBondContact SG-SG 3.41Å; W69-C74 HydrophobicContact CB-CB 4.23Å; Y70-C74 CarbonylContact O-C 3.6Å; Y70-C74 WeakPolarHBondContact O-CA 3.47Å |
| 75 | E | 92.1 | Very high | 79.9 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | trans | -79.3 | -19.6 | -173.8 | 67.1 | -88.7 | -146.7 | 0 | 0 | 114.1 | L45 Y70 G71 R72 R73 | L45-E75 HydrophobicContact CD1-CB 4.04Å; Y70-E75 PolarHBondContact O-N 3.29Å; G71-E75 WeakPolarHBondContact CA-OE2 3.3Å; R72-E75 PolarHBondContact N-OE2 3.44Å; R72-E75 VanDerWaalsContact N-OE2 3.14Å; R73-E75 VanDerWaalsContact C-OE2 3.31Å; R73-E75 VanDerWaalsContact CA-OE2 3.32Å; R73-E75 WeakPolarHBondContact CA-OE2 3.29Å; R73-E75 PolarHBondContact N-OE2 3.31Å; R73-E75 PolarHBondContact O-N 3.45Å | ||
| 76 | Y | 91.9 | Very high | 78.1 | Confident | 124 Ų | 124 | 91.1 Ų | 91.1 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.6 | -177.2 | -54.3 | -65.8 | 0 | 0 | 0 | 110.9 | W69 Y70 | W69-Y76 CarbonylContact C-O 3.58Å; W69-Y76 VanDerWaalsContact CA-O 3.25Å; W69-Y76 WeakPolarHBondContact CA-O 3.31Å; Y70-Y76 WeakPolarHBondContact CD1-O 3.36Å; Y70-Y76 HydrophobicContact CD2-CD2 4.14Å; Y70-Y76 HydrophobicContact CD2-CG 4.45Å; Y70-Y76 VanDerWaalsContact CE1-CB 3.47Å; Y70-Y76 AromaticContact CE2-CD2 3.86Å; Y70-Y76 HydrophobicContact CE2-CD2 3.86Å; Y70-Y76 AromaticContact CE2-CG 3.95Å; Y70-Y76 HydrophobicContact CE2-CG 3.95Å; Y70-Y76 PolarHBondContact N-O 3.23Å; Y70-Y76 WeakPolarHBondContact O-CB 3.12Å; Y70-Y76 PolarHBondContact O-N 2.89Å; Y70-Y76 VanDerWaalsContact O-O 3.13Å |
| 77 | Q | 88.4 | Confident | 76.3 | Confident | 100 Ų | 100 | 93 Ų | 93 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.2 | 174.1 | -170.4 | 176.7 | 34.9 | 0 | 0 | 109.6 | G68 W69 Y70 I79 | G68-Q77 CarbonylContact O-C 3.54Å; G68-Q77 WeakPolarHBondContact O-CA 3.36Å; G68-Q77 WeakPolarHBondContact O-CG 3.46Å; W69-Q77 HydrophobicContact CD2-CB 4.49Å; W69-Q77 HydrophobicContact CE3-CB 4.06Å; W69-Q77 HydrophobicContact CH2-CB 4.3Å; W69-Q77 HydrophobicContact CZ3-CB 3.94Å; Y70-Q77 VanDerWaalsContact CE1-C 3.48Å; Y70-Q77 WeakPolarHBondContact CE1-O 2.95Å; Q77-I79 WeakPolarHBondContact O-CG1 3.14Å; Q77-I79 PolarHBondContact O-N 2.99Å; Q77-I79 VanDerWaalsContact O-N 3.09Å |
| 78 | D | 82 | Confident | 74.5 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | trans | -70.6 | 104.3 | 175.1 | -164.2 | -8.8 | 0 | 0 | 0 | 109.5 | G68 Y70 G80 | G68-D78 PolarHBondContact O-N 2.78Å; Y70-D78 HydrophobicContact CD1-CB 3.81Å; Y70-D78 HydrophobicContact CE1-CB 4.26Å; D78-G80 WeakPolarHBondContact OD1-CA 3.36Å; D78-G80 PolarHBondContact OD1-N 3.18Å | ||
| 79 | I | 74.6 | Confident | 72.9 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | trans | -82.2 | -4.8 | 176.6 | -40.3 | -179.4 | 0 | 0 | 0 | 110 | Q77 D81 R82 | Q77-I79 WeakPolarHBondContact O-CG1 3.14Å; Q77-I79 PolarHBondContact O-N 2.99Å; Q77-I79 VanDerWaalsContact O-N 3.09Å; I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.46Å; I79-R82 HydrophobicContact CG2-CG 4.3Å; I79-R82 WeakPolarHBondContact O-CB 3.06Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-R82 VanDerWaalsContact O-N 3.09Å | ||
| 80 | G | 65.5 | Low | 71.1 | Confident | 32 Ų | 32 | 102.3 Ų | 102.3 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -63.7 | -35 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D78 R82 Y83 | D78-G80 WeakPolarHBondContact OD1-CA 3.36Å; D78-G80 PolarHBondContact OD1-N 3.18Å; G80-R82 PolarHBondContact O-N 2.9Å; G80-R82 VanDerWaalsContact O-N 3.11Å; G80-Y83 PolarHBondContact O-N 3.14Å |
| 81 | D | 57.9 | Low | 69.3 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -73.8 | 6.7 | 173.8 | -82.3 | -12 | 0 | 0 | 0 | 113.6 | I79 P85 | I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.46Å; D81-P85 WeakPolarHBondContact O-CD 3.08Å; D81-P85 WeakPolarHBondContact O-CG 3.36Å |
| 82 | R | 55.9 | Low | 67.5 | Low | 160 Ų | 160 | 106.7 Ų | 106.7 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -83.5 | -14.6 | 162.4 | -70.2 | -171.2 | 179.8 | 161.5 | 1.3 | 112.7 | I79 G80 V86 | I79-R82 HydrophobicContact CG2-CG 4.3Å; I79-R82 WeakPolarHBondContact O-CB 3.06Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-R82 VanDerWaalsContact O-N 3.09Å; G80-R82 PolarHBondContact O-N 2.9Å; G80-R82 VanDerWaalsContact O-N 3.11Å; R82-V86 WeakPolarHBondContact O-CG2 3.39Å |
| 83 | Y | 52.1 | Low | 65.9 | Low | 181 Ų | 181 | 100.6 Ų | 100.6 | 71% | 0.71 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -29.6 | 178.6 | -71 | -84.4 | 0 | 0 | 0 | 113.2 | G80 V86 | G80-Y83 PolarHBondContact O-N 3.14Å; Y83-V86 PolarHBondContact O-N 3.29Å |
| 84 | L | 56.1 | Low | 64.4 | Low | 119 Ų | 119 | 100.5 Ų | 100.5 | 62% | 0.623 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.7 | -44.2 | 175.7 | -83.5 | 87.4 | 0 | 0 | 0 | 114.8 | V86 Q87 | L84-V86 VanDerWaalsContact C-N 3.26Å; L84-V86 PolarHBondContact O-N 3.46Å; L84-Q87 PolarHBondContact O-N 2.95Å |
| 85 | P | 54 | Low | 62.7 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -79.4 | -9.5 | 176.3 | 32.4 | -35.2 | 0 | 0 | 0 | 112.5 | D81 Q87 R89 | D81-P85 WeakPolarHBondContact O-CD 3.08Å; D81-P85 WeakPolarHBondContact O-CG 3.36Å; P85-Q87 VanDerWaalsContact C-N 3.34Å; P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 WeakPolarHBondContact O-CG 3.41Å; P85-R89 PolarHBondContact O-N 3.02Å |
| 86 | V | 53.9 | Low | 61.2 | Low | 76 Ų | 76 | 106.4 Ų | 106.4 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 169.4 | 163.6 | 0 | 0 | 0 | 0 | 109.5 | R82 Y83 L84 R89 V90 | R82-V86 WeakPolarHBondContact O-CG2 3.39Å; Y83-V86 PolarHBondContact O-N 3.29Å; L84-V86 VanDerWaalsContact C-N 3.26Å; L84-V86 PolarHBondContact O-N 3.46Å; V86-R89 PolarHBondContact O-N 3.02Å; V86-V90 HydrophobicContact CG1-CG1 4.4Å; V86-V90 WeakPolarHBondContact O-CG1 3.39Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.29Å |
| 87 | Q | 52.7 | Low | 59.9 | Low | 141 Ų | 141 | 102.2 Ų | 102.2 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 174.5 | -69.4 | -95.9 | -39.6 | 0 | 0 | 111.5 | L84 P85 R89 V90 E91 | L84-Q87 PolarHBondContact O-N 2.95Å; P85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-R89 PolarHBondContact O-N 3.26Å; Q87-V90 WeakPolarHBondContact O-CG2 3.46Å; Q87-V90 PolarHBondContact O-N 3.03Å; Q87-E91 PolarHBondContact O-N 3.41Å |
| 88 | Q | 51.9 | Low | 59.3 | Low | 148 Ų | 148 | 101.1 Ų | 101.1 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.5 | -29.6 | 179.9 | -160 | 159.4 | -40.4 | 0 | 0 | 113.3 | V92 | Q88-V92 WeakPolarHBondContact O-CG2 3.46Å |
| 89 | R | 52 | Low | 59.4 | Low | 194 Ų | 194 | 102.9 Ų | 102.9 | 73% | 0.732 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.1 | -29.5 | 171.3 | -75.4 | -172.8 | -165.8 | -107.7 | 2.7 | 113 | P85 V86 Q87 A93 | P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 WeakPolarHBondContact O-CG 3.41Å; P85-R89 PolarHBondContact O-N 3.02Å; V86-R89 PolarHBondContact O-N 3.02Å; Q87-R89 PolarHBondContact O-N 3.26Å; R89-A93 WeakPolarHBondContact O-CB 2.74Å; R89-A93 PolarHBondContact O-N 3.32Å |
| 90 | V | 54.6 | Low | 60 | Low | 75 Ų | 75 | 102.1 Ų | 102.1 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.7 | -26.3 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | V86 Q87 S94 | V86-V90 HydrophobicContact CG1-CG1 4.4Å; V86-V90 WeakPolarHBondContact O-CG1 3.39Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.29Å; Q87-V90 WeakPolarHBondContact O-CG2 3.46Å; Q87-V90 PolarHBondContact O-N 3.03Å; V90-S94 WeakPolarHBondContact O-CA 2.99Å; V90-S94 WeakPolarHBondContact O-CB 3.36Å; V90-S94 PolarHBondContact O-N 3.02Å |
| 91 | E | 54.1 | Low | 61.1 | Low | 135 Ų | 135 | 105 Ų | 105 | 63% | 0.631 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.3 | -43.1 | 173.5 | -76.3 | -173.8 | 152.8 | 0 | 0 | 112.2 | Q87 I95 | Q87-E91 PolarHBondContact O-N 3.41Å; E91-I95 WeakPolarHBondContact O-CD1 3.48Å; E91-I95 WeakPolarHBondContact O-CG1 3.32Å |
| 92 | V | 53 | Low | 62.7 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.655 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.5 | -26.2 | 174.9 | -99.1 | 0 | 0 | 0 | 0 | 113.6 | Q88 | Q88-V92 WeakPolarHBondContact O-CG2 3.46Å |
| 93 | A | 57.3 | Low | 64.5 | Low | 63 Ų | 63 | 102.6 Ų | 102.6 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.7 | -29.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | R89 A96 G97 | R89-A93 WeakPolarHBondContact O-CB 2.74Å; R89-A93 PolarHBondContact O-N 3.32Å; A93-A96 PolarHBondContact O-N 3.49Å; A93-G97 PolarHBondContact O-N 3.05Å |
| 94 | S | 59.6 | Low | 66.4 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 112 | V90 A96 G97 S98 | V90-S94 WeakPolarHBondContact O-CA 2.99Å; V90-S94 WeakPolarHBondContact O-CB 3.36Å; V90-S94 PolarHBondContact O-N 3.02Å; S94-A96 PolarHBondContact O-N 2.88Å; S94-G97 PolarHBondContact O-N 3.05Å; S94-S98 PolarHBondContact O-N 2.99Å |
| 95 | I | 56.8 | Low | 68.3 | Low | 123 Ų | 123 | 96.8 Ų | 96.8 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.4 | -31.3 | -179.5 | -62.8 | 167 | 0 | 0 | 0 | 111.6 | E91 | E91-I95 WeakPolarHBondContact O-CD1 3.48Å; E91-I95 WeakPolarHBondContact O-CG1 3.32Å |
| 96 | A | 60.1 | Low | 70.3 | Confident | 66 Ų | 66 | 99 Ų | 99 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.1 | -30.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A93 S94 | A93-A96 PolarHBondContact O-N 3.49Å; S94-A96 PolarHBondContact O-N 2.88Å |
| 97 | G | 66 | Low | 72.3 | Confident | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -76.1 | -39.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | A93 S94 T100 V101 | A93-G97 PolarHBondContact O-N 3.05Å; S94-G97 PolarHBondContact O-N 3.05Å; G97-T100 PolarHBondContact O-OG1 3.38Å; G97-V101 WeakPolarHBondContact O-CG2 3.1Å |
| 98 | S | 74.4 | Confident | 74.4 | Confident | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -40.1 | -172.9 | 67 | 0 | 0 | 0 | 0 | 113.1 | S94 T100 L102 | S94-S98 PolarHBondContact O-N 2.99Å; S98-T100 PolarHBondContact O-N 3.36Å; S98-L102 PolarHBondContact O-N 3.2Å; S98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | L | 85.5 | Confident | 76.6 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | -178.1 | -167.3 | 82.1 | 0 | 0 | 0 | 111.8 | L102 I103 | L99-L102 PolarHBondContact O-N 2.81Å; L99-I103 HydrophobicContact CD2-CD1 4.23Å; L99-I103 HydrophobicContact CG-CD1 4Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.14Å |
| 100 | T | 86.9 | Confident | 78.7 | Confident | 81 Ų | 81 | 89.4 Ų | 89.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | G97 S98 I103 V104 | G97-T100 PolarHBondContact O-OG1 3.38Å; S98-T100 PolarHBondContact O-N 3.36Å; T100-I103 PolarHBondContact O-N 3.4Å; T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å |
| 101 | V | 87.8 | Confident | 80.7 | Confident | 94 Ų | 94 | 89.1 Ų | 89.1 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 111 | G97 I103 V104 V105 | G97-V101 WeakPolarHBondContact O-CG2 3.1Å; V101-I103 PolarHBondContact O-N 3.03Å; V101-V104 PolarHBondContact O-N 3.48Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.38Å |
| 102 | L | 91.4 | Very high | 82.7 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.5 | -177.4 | 63.2 | 0 | 0 | 0 | 111.8 | S98 L99 V104 V105 I106 | S98-L102 PolarHBondContact O-N 3.2Å; S98-L102 VanDerWaalsContact O-N 3.14Å; L99-L102 PolarHBondContact O-N 2.81Å; L102-V104 PolarHBondContact O-N 3.33Å; L102-V105 PolarHBondContact O-N 2.95Å; L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.25Å; L102-I106 PolarHBondContact O-N 3.11Å |
| 103 | I | 93.4 | Very high | 84.7 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 177.5 | -67.8 | 165.7 | 0 | 0 | 0 | 110.7 | L99 T100 V101 V105 I106 V107 | L99-I103 HydrophobicContact CD2-CD1 4.23Å; L99-I103 HydrophobicContact CG-CD1 4Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.14Å; T100-I103 PolarHBondContact O-N 3.4Å; V101-I103 PolarHBondContact O-N 3.03Å; I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 PolarHBondContact O-N 3.3Å; I103-I106 PolarHBondContact O-N 3.38Å; I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.33Å; I103-V107 PolarHBondContact O-N 3.37Å |
| 104 | V | 94 | Very high | 86.6 | Confident | 100 Ų | 100 | 89 Ų | 89 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | T100 V101 L102 V107 F108 | T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å; V101-V104 PolarHBondContact O-N 3.48Å; L102-V104 PolarHBondContact O-N 3.33Å; V104-V107 PolarHBondContact O-N 3.47Å; V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 2.89Å |
| 105 | V | 95.5 | Very high | 88.3 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V101 L102 I103 V107 F108 V109 | V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.38Å; L102-V105 PolarHBondContact O-N 2.95Å; I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 PolarHBondContact O-N 3.3Å; V105-V107 PolarHBondContact O-N 3.03Å; V105-F108 PolarHBondContact O-N 3.5Å; V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.42Å |
| 106 | I | 96 | Very high | 90.1 | Very high | 103 Ų | 103 | 89.1 Ų | 89.1 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178 | -68 | 167.1 | 0 | 0 | 0 | 110.9 | L102 I103 V109 S110 | L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.25Å; L102-I106 PolarHBondContact O-N 3.11Å; I103-I106 PolarHBondContact O-N 3.38Å; I106-V109 PolarHBondContact O-N 3.17Å; I106-S110 WeakPolarHBondContact O-CB 3.02Å; I106-S110 PolarHBondContact O-N 3.48Å; I106-S110 PolarHBondContact O-OG 2.9Å |
| 107 | V | 96.4 | Very high | 91.7 | Very high | 79 Ų | 79 | 92.7 Ų | 92.7 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | I103 V104 V105 V109 S110 V111 | I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.33Å; I103-V107 PolarHBondContact O-N 3.37Å; V104-V107 PolarHBondContact O-N 3.47Å; V105-V107 PolarHBondContact O-N 3.03Å; V107-V109 PolarHBondContact O-N 3.29Å; V107-S110 WeakPolarHBondContact CA-OG 3.39Å; V107-S110 PolarHBondContact O-N 3.44Å; V107-S110 PolarHBondContact O-OG 3.15Å; V107-V111 HydrophobicContact CG1-CG2 4.45Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.81Å |
| 108 | F | 96.7 | Very high | 92.9 | Very high | 146 Ų | 146 | 98.6 Ų | 98.6 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 178.4 | -174.8 | -99.9 | 0 | 0 | 0 | 112.3 | V104 V105 S110 V111 V112 | V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 2.89Å; V105-F108 PolarHBondContact O-N 3.5Å; F108-S110 PolarHBondContact O-N 3.09Å; F108-V111 PolarHBondContact O-N 2.79Å; F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.91Å; F108-V112 HydrophobicContact CE2-CG2 4.49Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.14Å |
| 109 | V | 96.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 104 Ų | 104 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 111 | V105 I106 V107 V111 V112 L113 | V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.42Å; I106-V109 PolarHBondContact O-N 3.17Å; V107-V109 PolarHBondContact O-N 3.29Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 3.09Å; V109-V112 PolarHBondContact O-N 3.38Å; V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.75Å |
| 110 | S | 96.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 104.1 Ų | 104.1 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.5 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | I106 V107 F108 Y114 | I106-S110 WeakPolarHBondContact O-CB 3.02Å; I106-S110 PolarHBondContact O-N 3.48Å; I106-S110 PolarHBondContact O-OG 2.9Å; V107-S110 WeakPolarHBondContact CA-OG 3.39Å; V107-S110 PolarHBondContact O-N 3.44Å; V107-S110 PolarHBondContact O-OG 3.15Å; F108-S110 PolarHBondContact O-N 3.09Å; S110-Y114 WeakPolarHBondContact O-CB 3.36Å; S110-Y114 PolarHBondContact O-N 3.31Å |
| 111 | V | 96.5 | Very high | 93.4 | Very high | 70 Ų | 70 | 109.1 Ų | 109.1 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V107 F108 V109 Y114 I115 | V107-V111 HydrophobicContact CG1-CG2 4.45Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.81Å; F108-V111 PolarHBondContact O-N 2.79Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 3.09Å; V111-Y114 PolarHBondContact O-N 2.88Å; V111-I115 HydrophobicContact CG1-CD1 3.82Å; V111-I115 HydrophobicContact CG1-CG1 4.45Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.12Å |
| 112 | V | 96 | Very high | 92.4 | Very high | 74 Ų | 74 | 108.2 Ų | 108.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | F108 V109 I115 Y116 | F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.91Å; F108-V112 HydrophobicContact CE2-CG2 4.49Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.14Å; V109-V112 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.31Å; V112-Y116 WeakPolarHBondContact O-CB 3Å; V112-Y116 PolarHBondContact O-N 2.91Å |
| 113 | L | 96.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.7 | -73 | 175.6 | 0 | 0 | 0 | 111.1 | V109 I115 Y116 Y117 | V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.75Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.35Å; L113-Y116 PolarHBondContact O-N 3.01Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; L113-Y117 HydrophobicContact CB-CD2 4.22Å; L113-Y117 HydrophobicContact CB-CE2 4.14Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 WeakPolarHBondContact O-CB 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.11Å; L113-Y117 PolarHBondContact O-N 2.72Å |
| 114 | Y | 96.2 | Very high | 89.8 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -44.7 | 176.8 | 175.1 | -99.5 | 0 | 0 | 0 | 111.9 | S110 V111 Y117 R118 | S110-Y114 WeakPolarHBondContact O-CB 3.36Å; S110-Y114 PolarHBondContact O-N 3.31Å; V111-Y114 PolarHBondContact O-N 2.88Å; Y114-Y117 PolarHBondContact O-N 3.04Å; Y114-R118 WeakPolarHBondContact O-CB 3.26Å; Y114-R118 PolarHBondContact O-N 2.76Å |
| 115 | I | 95.5 | Very high | 88.2 | Confident | 78 Ų | 78 | 107.9 Ų | 107.9 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.7 | -67.9 | 167.2 | 0 | 0 | 0 | 110.5 | V111 V112 L113 R118 R119 | V111-I115 HydrophobicContact CG1-CD1 3.82Å; V111-I115 HydrophobicContact CG1-CG1 4.45Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.12Å; V112-I115 PolarHBondContact O-N 3.31Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.35Å; I115-R118 PolarHBondContact O-N 2.76Å; I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.37Å; I115-R119 VanDerWaalsContact O-CG 3.3Å; I115-R119 WeakPolarHBondContact O-CG 3.22Å; I115-R119 PolarHBondContact O-N 2.86Å |
| 116 | Y | 94.6 | Very high | 86.5 | Confident | 128 Ų | 128 | 111 Ų | 111 | 50% | 0.502 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.8 | -179.1 | -95.4 | 0 | 0 | 0 | 111.7 | V112 L113 R119 R120 | V112-Y116 WeakPolarHBondContact O-CB 3Å; V112-Y116 PolarHBondContact O-N 2.91Å; L113-Y116 PolarHBondContact O-N 3.01Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; Y116-R119 PolarHBondContact O-N 3.3Å; Y116-R120 WeakPolarHBondContact O-CB 3.02Å; Y116-R120 PolarHBondContact O-N 2.71Å |
| 117 | Y | 93.2 | Very high | 84.8 | Confident | 140 Ų | 140 | 114 Ų | 114 | 55% | 0.549 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.1 | -76.8 | -64.2 | 0 | 0 | 0 | 111.9 | L113 Y114 R120 R121 | L113-Y117 HydrophobicContact CB-CD2 4.22Å; L113-Y117 HydrophobicContact CB-CE2 4.14Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 WeakPolarHBondContact O-CB 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.11Å; L113-Y117 PolarHBondContact O-N 2.72Å; Y114-Y117 PolarHBondContact O-N 3.04Å; Y117-R120 PolarHBondContact O-N 2.88Å; Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 3.02Å |
| 118 | R | 92.1 | Very high | 82.7 | Confident | 159 Ų | 159 | 116.3 Ų | 116.3 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -46.3 | 177.7 | -172.7 | 178.3 | 178.3 | -167.9 | -0.1 | 111.4 | Y114 I115 R120 R121 T122 | Y114-R118 WeakPolarHBondContact O-CB 3.26Å; Y114-R118 PolarHBondContact O-N 2.76Å; I115-R118 PolarHBondContact O-N 2.76Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R118-R120 PolarHBondContact O-N 2.94Å; R118-R121 PolarHBondContact O-N 3.35Å; R118-T122 PolarHBondContact O-N 2.04Å; R118-T122 VanDerWaalsContact O-N 3.1Å; R118-T122 PolarHBondContact O-OG1 2.78Å |
| 119 | R | 90.5 | Very high | 80.6 | Confident | 192 Ų | 192 | 115.7 Ų | 115.7 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.7 | -41 | 174.8 | -76.2 | -178.2 | 173.9 | -165.6 | -1.3 | 111.7 | I115 Y116 T122 A123 | I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.37Å; I115-R119 VanDerWaalsContact O-CG 3.3Å; I115-R119 WeakPolarHBondContact O-CG 3.22Å; I115-R119 PolarHBondContact O-N 2.86Å; Y116-R119 PolarHBondContact O-N 3.3Å; R119-T122 PolarHBondContact O-N 2.03Å; R119-A123 PolarHBondContact O-N 2.81Å |
| 120 | R | 87.5 | Confident | 78.8 | Confident | 111 Ų | 111 | 117.8 Ų | 117.8 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -37.2 | 177.9 | -163.3 | 172.5 | -175.4 | 174 | 3.6 | 111.9 | Y116 Y117 R118 A123 V124 | Y116-R120 WeakPolarHBondContact O-CB 3.02Å; Y116-R120 PolarHBondContact O-N 2.71Å; Y117-R120 PolarHBondContact O-N 2.88Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R118-R120 PolarHBondContact O-N 2.94Å; R120-A123 CarbonylContact O-C 3.46Å; R120-A123 PolarHBondContact O-N 3.34Å; R120-V124 HydrophobicContact CG-CG2 4.27Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 2.83Å |
| 121 | R | 78.5 | Confident | 76.7 | Confident | 186 Ų | 186 | 121.5 Ų | 121.5 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.3 | -44 | 173 | -77.3 | -174.4 | -179.3 | -159.1 | 0.7 | 112 | Y117 R118 A123 V124 E125 | Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 3.02Å; R118-R121 PolarHBondContact O-N 3.35Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-V124 PolarHBondContact O-N 3.03Å; R121-V124 VanDerWaalsContact O-N 3.17Å; R121-E125 PolarHBondContact O-N 3.18Å |
| 122 | T | 67.7 | Low | 74.6 | Confident | 75 Ų | 75 | 126.6 Ų | 126.6 | 46% | 0.46 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.4 | -32.6 | 174.6 | -50 | 0 | 0 | 0 | 0 | 112.4 | R118 R119 L126 | R118-T122 PolarHBondContact O-N 2.04Å; R118-T122 VanDerWaalsContact O-N 3.1Å; R118-T122 PolarHBondContact O-OG1 2.78Å; R119-T122 PolarHBondContact O-N 2.03Å; T122-L126 WeakPolarHBondContact O-CD1 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 2.97Å |
| 123 | A | 67.5 | Low | 72.6 | Confident | 48 Ų | 48 | 126.4 Ų | 126.4 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.2 | -33.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R119 R120 R121 M127 | R119-A123 PolarHBondContact O-N 2.81Å; R120-A123 CarbonylContact O-C 3.46Å; R120-A123 PolarHBondContact O-N 3.34Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.95Å; A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.1Å; A123-M127 PolarHBondContact O-N 2.04Å |
| 124 | V | 62.9 | Low | 70.6 | Confident | 85 Ų | 85 | 129.1 Ų | 129.1 | 52% | 0.515 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75 | -37.2 | 178 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | R120 R121 L126 M127 D128 | R120-V124 HydrophobicContact CG-CG2 4.27Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 2.83Å; R121-V124 PolarHBondContact O-N 3.03Å; R121-V124 VanDerWaalsContact O-N 3.17Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.01Å; V124-M127 PolarHBondContact O-N 3.5Å; V124-D128 PolarHBondContact O-N 3.34Å |
| 125 | E | 60.8 | Low | 68.9 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.7 | -29.4 | 173.4 | -81 | 175.1 | 158.8 | 0 | 0 | 112.7 | R121 M127 | R121-E125 PolarHBondContact O-N 3.18Å; E125-M127 VanDerWaalsContact C-N 3.3Å |
| 126 | L | 59.2 | Low | 67.4 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 75% | 0.754 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6.6 | 173.6 | -69.9 | 169.7 | 0 | 0 | 0 | 113.7 | T122 V124 | T122-L126 WeakPolarHBondContact O-CD1 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 2.97Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.01Å |
| 127 | M | 59.5 | Low | 66 | Low | 165 Ų | 165 | 126.9 Ų | 126.9 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -107.9 | -2.1 | 178.7 | -73.2 | 178.8 | 136.6 | 0 | 0 | 113.2 | A123 V124 E125 | A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.1Å; A123-M127 PolarHBondContact O-N 2.04Å; V124-M127 PolarHBondContact O-N 3.5Å; E125-M127 VanDerWaalsContact C-N 3.3Å |
| 128 | D | 54.1 | Low | 65 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | trans | -96.6 | 12.8 | 179.9 | -161.9 | 48 | 0 | 0 | 0 | 113.4 | V124 P130 | V124-D128 PolarHBondContact O-N 3.34Å; D128-P130 WeakPolarHBondContact O-CD 3.15Å; D128-P130 WeakPolarHBondContact O-CG 3.43Å | ||
| 129 | D | 51.4 | Low | 63.3 | Low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | trans | -82.1 | 100.2 | 170.7 | -129.9 | -39.1 | 0 | 0 | 0 | 109.2 | N131 | D129-N131 PolarHBondContact O-N 3Š| ||
| 130 | P | 59 | Low | 61.9 | Low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 8.3 | -170.4 | -2 | 23.7 | 0 | 0 | 0 | 112.4 | D128 | D128-P130 WeakPolarHBondContact O-CD 3.15Å; D128-P130 WeakPolarHBondContact O-CG 3.43Å |
| 131 | N | 51.9 | Low | 60.5 | Low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 30.6 | -167.5 | -84.7 | -19.5 | 0 | 0 | 0 | 114.2 | D129 S133 | D129-N131 PolarHBondContact O-N 3Å; N131-S133 PolarHBondContact O-N 3.13Å |
| 132 | M | 52.1 | Low | 59.5 | Low | 177 Ų | 177 | 123.4 Ų | 123.4 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | trans | -75.2 | 73.1 | 163.3 | -166.9 | 121.2 | 85.9 | 0 | 0 | 110 | L134 | M132-L134 PolarHBondContact O-N 2.78Å; M132-L134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | S | 54.3 | Low | 58.9 | Low | 71 Ų | 71 | 123 Ų | 123 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | -63.6 | 104.7 | 163 | 55.7 | 0 | 0 | 0 | 0 | 108.2 | N131 T135 | N131-S133 PolarHBondContact O-N 3.13Å; S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.76Å | ||
| 134 | L | 53.2 | Low | 58 | Low | 136 Ų | 136 | 126.7 Ų | 126.7 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | trans | -76 | 91.7 | 174 | -147.9 | 161.8 | 0 | 0 | 0 | 106.7 | M132 | M132-L134 PolarHBondContact O-N 2.78Å; M132-L134 VanDerWaalsContact O-N 3.08Å | ||
| 135 | T | 61 | Low | 57.5 | Low | 81 Ų | 81 | 130.6 Ų | 130.6 | 50% | 0.497 | 72% | 0.724 | S | S | . | * | B | Isolated β-bridge | trans | -80.6 | 128.7 | 171.5 | 48.6 | 0 | 0 | 0 | 0 | 108.3 | S133 | S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.76Å |
| 136 | D | 65 | Low | 56.7 | Low | 98 Ų | 98 | 127.1 Ų | 127.1 | 52% | 0.524 | 72% | 0.717 | S | S | . | * | trans | -66.1 | 166.5 | 166.1 | -172.1 | 12.8 | 0 | 0 | 0 | 109.6 | F138 G139 | D136-F138 PolarHBondContact O-N 3.13Å; D136-G139 PolarHBondContact O-N 2.87Å | ||
| 137 | S | 65.1 | Low | 56.2 | Low | 130 Ų | 130 | 132.1 Ų | 132.1 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -9 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 138 | F | 71.1 | Confident | 55.7 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 9.2 | 175 | -131.7 | -95.9 | 0 | 0 | 0 | 114.4 | D136 R140 | D136-F138 PolarHBondContact O-N 3.13Å; F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.86Å |
| 139 | G | 57.8 | Low | 55.2 | Low | 60 Ų | 60 | 132.3 Ų | 132.3 | 62% | 0.619 | 73% | 0.725 | S | S | * | * | trans | 71.2 | 16.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D136 | D136-G139 PolarHBondContact O-N 2.87Š| ||
| 140 | R | 59.4 | Low | 54.9 | Low | 199 Ų | 199 | 130.6 Ų | 130.6 | 75% | 0.751 | 72% | 0.724 | S | S | * | * | trans | -95.2 | 130.9 | -178.8 | -145.6 | 172.9 | -166.6 | 170.3 | 3.1 | 110.4 | F138 V142 | F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.86Å; R140-V142 PolarHBondContact O-N 2.99Å | ||
| 141 | Q | 59.6 | Low | 54.2 | Low | 156 Ų | 156 | 134.6 Ų | 134.6 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | B | Isolated β-bridge | trans | -68.8 | 120.1 | 171.9 | -71.6 | -152 | 5.1 | 0 | 0 | 110 | ||
| 142 | V | 58 | Low | 54 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | trans | -100.2 | 92.5 | 172.9 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | R140 | R140-V142 PolarHBondContact O-N 2.99Š| ||
| 143 | G | 54.4 | Low | 53.2 | Low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 35.5 | 132.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | L145 | G143-L145 PolarHBondContact O-N 2.84Š| ||
| 144 | S | 48.2 | Very low | 52.5 | Low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124.1 | 167.6 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 145 | L | 53.1 | Low | 52.1 | Low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 116.2 | 171.8 | -136.1 | 145.6 | 0 | 0 | 0 | 109.4 | G143 | G143-L145 PolarHBondContact O-N 2.84Š|
| 146 | S | 43.5 | Very low | 51 | Low | 81 Ų | 81 | 146.8 Ų | 146.8 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 146.1 | -166.8 | -164.5 | 0 | 0 | 0 | 0 | 114.7 | E148 | S146-E148 PolarHBondContact O-N 3.5Š|
| 147 | R | 48 | Very low | 49.8 | Very low | 249 Ų | 249 | 147.4 Ų | 147.4 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 38.1 | -172.8 | -161.7 | 172.4 | 110.8 | 158.8 | 4.3 | 114.1 | ||
| 148 | E | 49.8 | Very low | 48.7 | Very low | 159 Ų | 159 | 147 Ų | 147 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -14.4 | -176.5 | -93.7 | 167.7 | 94.3 | 0 | 0 | 114.9 | S146 | S146-E148 PolarHBondContact O-N 3.5Š|
| 149 | N | 42.7 | Very low | 47.4 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -98.9 | 4.4 | -176.1 | -76.6 | -10.9 | 0 | 0 | 0 | 115.9 | ||
| 150 | S | 46.5 | Very low | 46.6 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -83.9 | -15.6 | -178.4 | -161.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 151 | F | 43.8 | Very low | 45.9 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -78.1 | -21.6 | -176.1 | -140.2 | -97.3 | 0 | 0 | 0 | 113.8 | ||
| 152 | L | 47.3 | Very low | 45.3 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -85.6 | -8 | -179.6 | -148.5 | 79.3 | 0 | 0 | 0 | 113.6 | ||
| 153 | Y | 35.9 | Very low | 44.5 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -100.9 | -1.5 | -172.7 | -124.8 | -91.6 | 0 | 0 | 0 | 114.7 | ||
| 154 | N | 38.8 | Very low | 44.5 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -99.5 | 2.3 | 177 | -118.9 | -25 | 0 | 0 | 0 | 113.6 | K156 | N154-K156 VanDerWaalsContact C-N 3.32Å; N154-K156 PolarHBondContact O-N 3.05Å |
| 155 | E | 44.6 | Very low | 44.8 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -93.1 | 45.9 | -178.6 | -160.4 | 171.7 | 104.1 | 0 | 0 | 112.6 | ||||
| 156 | K | 38.6 | Very low | 45.1 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -134.3 | 57.3 | 176.4 | -122.3 | 175 | -172.7 | 175.6 | 0 | 111.7 | N154 | N154-K156 VanDerWaalsContact C-N 3.32Å; N154-K156 PolarHBondContact O-N 3.05Å | ||
| 157 | T | 40.8 | Very low | 45.6 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | -83.7 | 126.7 | 157.5 | 32.8 | 0 | 0 | 0 | 0 | 108.8 | T159 | T157-T159 PolarHBondContact O-N 2.71Š| ||
| 158 | P | 41.8 | Very low | 46.2 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -73.7 | 97.1 | 170.2 | 30.1 | -29.6 | 0 | 0 | 0 | 107.7 | M160 | P158-M160 PolarHBondContact O-N 2.54Š| ||
| 159 | T | 43.3 | Very low | 46.2 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -67.8 | 99.4 | 165.3 | 39.9 | 0 | 0 | 0 | 0 | 108 | T157 V161 | T157-T159 PolarHBondContact O-N 2.71Å; T159-V161 VanDerWaalsContact C-N 3.26Å; T159-V161 PolarHBondContact O-N 2.89Å | ||
| 160 | M | 40.6 | Very low | 46.3 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 92.8 | 161 | -74.4 | -140.9 | -69.5 | 0 | 0 | 107.7 | P158 I162 | P158-M160 PolarHBondContact O-N 2.54Å; M160-I162 PolarHBondContact O-N 2.95Å | ||
| 161 | V | 44.9 | Very low | 46.2 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 95.5 | 165.9 | -82.2 | 0 | 0 | 0 | 0 | 108.5 | T159 S163 | T159-V161 VanDerWaalsContact C-N 3.26Å; T159-V161 PolarHBondContact O-N 2.89Å; V161-S163 PolarHBondContact O-N 2.84Å; V161-S163 VanDerWaalsContact O-N 3.17Å | ||
| 162 | I | 47.6 | Very low | 45.9 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 101.3 | 161.9 | -58.1 | 175.6 | 0 | 0 | 0 | 105.6 | M160 L164 | M160-I162 PolarHBondContact O-N 2.95Å; I162-L164 HydrophobicContact CG2-CD1 4.43Å; I162-L164 HydrophobicContact CG2-CG 4.09Å; I162-L164 PolarHBondContact O-N 2.95Å | ||
| 163 | S | 41.4 | Very low | 45.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -69 | 86 | 172 | -165.3 | 0 | 0 | 0 | 0 | 108.6 | V161 K165 | V161-S163 PolarHBondContact O-N 2.84Å; V161-S163 VanDerWaalsContact O-N 3.17Å; S163-K165 PolarHBondContact O-N 3.15Å | ||
| 164 | L | 53.2 | Low | 45.8 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 105.3 | 164.9 | -76.7 | 151.7 | 0 | 0 | 0 | 106.7 | I162 | I162-L164 HydrophobicContact CG2-CD1 4.43Å; I162-L164 HydrophobicContact CG2-CG 4.09Å; I162-L164 PolarHBondContact O-N 2.95Å | ||
| 165 | K | 55.4 | Low | 45.9 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 136.5 | 170.4 | -79 | -174.3 | 176.3 | -179.7 | 0 | 108.9 | S163 V167 | S163-K165 PolarHBondContact O-N 3.15Å; K165-V167 PolarHBondContact O-N 2.66Å |
| 166 | P | 58.2 | Low | 45.7 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.6 | 176.8 | 25.4 | -31 | 0 | 0 | 0 | 109.6 | ||
| 167 | V | 53.7 | Low | 46 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126.2 | 166.3 | 174.5 | 0 | 0 | 0 | 0 | 106.5 | K165 | K165-V167 PolarHBondContact O-N 2.66Š|
| 168 | P | 62.3 | Low | 46.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.4 | -176.7 | 27.2 | -32.7 | 0 | 0 | 0 | 111.1 | G170 | P168-G170 PolarHBondContact O-N 2.81Š|
| 169 | D | 49.5 | Very low | 46.7 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 104.9 | 175.7 | -64.7 | -57 | 0 | 0 | 0 | 110.8 | ||||
| 170 | G | 43.7 | Very low | 47.2 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -125.7 | 64.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P168 A172 | P168-G170 PolarHBondContact O-N 2.81Å; G170-A172 PolarHBondContact O-N 3.05Å | ||
| 171 | V | 43.9 | Very low | 47.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 104.5 | 172.5 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 172 | A | 38.8 | Very low | 48.2 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -140.2 | 90.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | G170 | G170-A172 PolarHBondContact O-N 3.05Š| ||
| 173 | Q | 40.5 | Very low | 48.3 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -164.9 | 108.2 | 138.8 | -109.8 | 178.6 | -30.4 | 0 | 0 | 110 | ||||
| 174 | E | 41.3 | Very low | 48.6 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -52.5 | 128.4 | 162.8 | -79.1 | 165.4 | 70 | 0 | 0 | 110.7 | ||||
| 175 | S | 39.5 | Very low | 48.4 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -150.1 | 76.2 | 151.6 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 176 | S | 41.2 | Very low | 48 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -92.5 | 106.6 | 167.7 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 177 | T | 44 | Very low | 47.3 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 83% | 0.833 | S | S | * | * | trans | -90.6 | 111.5 | 166.7 | -44.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 178 | T | 53.1 | Low | 46.9 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -135.7 | 111.2 | 162.9 | -50.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 179 | Q | 44.5 | Very low | 45.8 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 84% | 0.843 | S | S | * | * | trans | -71.6 | 144 | 162.4 | -73.9 | 173.5 | -2.7 | 0 | 0 | 109.3 | ||||
| 180 | T | 53.9 | Low | 45.5 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 84% | 0.84 | S | S | * | * | 158 | 134.7 | 125 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 181 | L | 54.7 | Low | 45.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | trans | 83.8 | 96.3 | 154.6 | -97.3 | 153.3 | 0 | 0 | 0 | 120.8 | ||||
| 182 | V | 52.8 | Low | 45.8 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 100% | 1.285 | 85% | 0.845 | S | S | * | * | -152 | 0 | 95.6 | 171.7 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 182 of 182 residues in 346.3 ms
(Link to these results)