| 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 | 36.5 | Very low | 41.8 | Very low | 250 Ų | 250 | 152.8 Ų | 152.8 | 100% | 1.232 | 81% | 0.811 | S | S | * | * | 0 | 106.3 | 0 | -76 | 167.9 | 172.6 | 0 | 0 | 107 | |||||
| 2 | A | 39.8 | Very low | 42.6 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -109.6 | 101.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | R4 | A2-R4 PolarHBondContact O-N 3.5Å; A2-R4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | E | 38.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -77.2 | 101.4 | 178.2 | -147.3 | 168.2 | 106.3 | 0 | 0 | 107.8 | V5 | E3-V5 PolarHBondContact O-N 3.16Å; E3-V5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | R | 42.5 | Very low | 43.7 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -70.4 | 105.1 | 167.7 | -78.9 | -162.1 | 163.6 | -168.4 | -3.7 | 107.3 | A2 L6 | A2-R4 PolarHBondContact O-N 3.5Å; A2-R4 VanDerWaalsContact O-N 3.16Å; R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.92Å | ||
| 5 | V | 40.9 | Very low | 44.3 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | -60.6 | 97 | 166.5 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | E3 V7 | E3-V5 PolarHBondContact O-N 3.16Å; E3-V5 VanDerWaalsContact O-N 3.14Å; V5-V7 PolarHBondContact O-N 3.42Å | ||
| 6 | L | 45.4 | Very low | 45.9 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | trans | -62.7 | 101.5 | 165.2 | -80.8 | 155.4 | 0 | 0 | 0 | 106.6 | R4 P8 | R4-L6 VanDerWaalsContact C-N 3.3Å; R4-L6 PolarHBondContact O-N 2.92Å; L6-P8 VanDerWaalsContact O-CD 3.24Å; L6-P8 WeakPolarHBondContact O-CD 3.42Å | ||
| 7 | V | 38.8 | Very low | 47.6 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | -57.7 | 118.9 | 164.6 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | V5 T9 | V5-V7 PolarHBondContact O-N 3.42Å; V7-T9 VanDerWaalsContact C-N 3.35Å; V7-T9 PolarHBondContact O-N 3.24Å | ||
| 8 | P | 39.7 | Very low | 49.4 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -67.9 | 102.9 | 172.7 | -12.6 | 28 | 0 | 0 | 0 | 106.7 | L6 Q10 | L6-P8 VanDerWaalsContact O-CD 3.24Å; L6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-Q10 HydrophobicContact CB-CG 4.48Å; P8-Q10 PolarHBondContact O-N 2.97Å | ||
| 9 | T | 46.9 | Very low | 51.4 | Low | 121 Ų | 121 | 133.1 Ų | 133.1 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | trans | -62 | 86.3 | 158.3 | -45.5 | 0 | 0 | 0 | 0 | 105.9 | V7 I11 | V7-T9 VanDerWaalsContact C-N 3.35Å; V7-T9 PolarHBondContact O-N 3.24Å; T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.37Å | ||
| 10 | Q | 44 | Very low | 52.9 | Low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | trans | -70.1 | 95 | 171.8 | -81.9 | -165.1 | -1.6 | 0 | 0 | 108.4 | P8 | P8-Q10 HydrophobicContact CB-CG 4.48Å; P8-Q10 PolarHBondContact O-N 2.97Å | ||
| 11 | I | 47 | Very low | 54.5 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -60.9 | 124.7 | 159.9 | -66.9 | 170.4 | 0 | 0 | 0 | 107.9 | T9 | T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.37Å | ||
| 12 | G | 50.7 | Low | 57 | Low | 54 Ų | 54 | 123.4 Ų | 123.4 | 56% | 0.557 | 65% | 0.648 | S | S | * | * | trans | 67.6 | 95.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 13 | R | 56.6 | Low | 59.2 | Low | 92 Ų | 92 | 118.7 Ų | 118.7 | 35% | 0.347 | 61% | 0.609 | S | S | . | * | trans | -86.7 | 113.5 | 168.1 | -102.4 | -171.4 | -178 | 174 | 11.2 | 110.8 | E22 | R13-E22 IonicContact CZ-OE1 3.68Å; R13-E22 VanDerWaalsContact CZ-OE1 3.31Å; R13-E22 IonicContact NH1-OE1 2.8Å; R13-E22 PolarHBondContact NH1-OE1 3.28Å; R13-E22 IonicContact NH1-OE2 2.88Å; R13-E22 PolarHBondContact NH1-OE2 3.42Å; R13-E22 IonicContact NH2-OE1 3.31Å; R13-E22 PolarHBondContact NH2-OE1 3.19Å | ||
| 14 | G | 44.7 | Very low | 61.5 | Low | 63 Ų | 63 | 112.5 Ų | 112.5 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | trans | -66.6 | 133.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R16 | G14-R16 PolarHBondContact O-N 2.96Š| ||
| 15 | D | 51.9 | Low | 63.7 | Low | 166 Ų | 166 | 104.4 Ų | 104.4 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 46.6 | 18.1 | 157.3 | -138 | 25.6 | 0 | 0 | 0 | 119.5 | ||
| 16 | R | 70.8 | Confident | 66 | Low | 184 Ų | 184 | 99.2 Ų | 99.2 | 69% | 0.694 | 53% | 0.531 | S | S | * | . | trans | -114.3 | 117.1 | 173.5 | -82.9 | -175.2 | 173.9 | -179.7 | -1.2 | 110.5 | G14 | G14-R16 PolarHBondContact O-N 2.96Š| ||
| 17 | Y | 75.1 | Confident | 67.9 | Low | 176 Ų | 176 | 92.6 Ų | 92.6 | 69% | 0.69 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -57 | 140.1 | 167.9 | -61.8 | -73.3 | 0 | 0 | 0 | 111 | N56 E59 | Y17-N56 VanDerWaalsContact CD1-ND2 3.3Å; Y17-N56 WeakPolarHBondContact CD1-ND2 3.23Å; Y17-N56 WeakPolarHBondContact CE1-ND2 3.04Å; Y17-E59 VanDerWaalsContact CA-OE1 3.29Å; Y17-E59 WeakPolarHBondContact CA-OE1 3.49Å |
| 18 | Y | 79.8 | Confident | 70.3 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 17% | 0.165 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.9 | 172.3 | -69 | -77.1 | 0 | 0 | 0 | 110.5 | E22 L23 I26 S54 L55 E59 | Y18-E22 HydrophobicContact CD1-CB 4.01Å; Y18-L23 HydrophobicContact CD2-CD2 4.19Å; Y18-L23 HydrophobicContact CG-CD2 4.12Å; Y18-I26 HydrophobicContact CD1-CD1 3.96Å; Y18-I26 HydrophobicContact CE1-CD1 3.95Å; Y18-I26 HydrophobicContact CG-CD1 4.32Å; Y18-S54 VanDerWaalsContact CE2-O 3.32Å; Y18-S54 WeakPolarHBondContact CE2-O 3.39Å; Y18-L55 HydrophobicContact CD2-CD2 3.76Å; Y18-L55 HydrophobicContact CE2-CD2 3.69Å; Y18-E59 PolarHBondContact N-OE1 3.34Å |
| 19 | T | 86.4 | Confident | 72.6 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.3 | 168.4 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | T21 E22 L23 | T19-T21 PolarHBondContact O-N 3.46Å; T19-T21 PolarHBondContact OG1-OG1 3.39Å; T19-E22 PolarHBondContact N-OE2 3.37Å; T19-E22 PolarHBondContact O-N 3.05Å; T19-E22 VanDerWaalsContact O-N 3.1Å; T19-E22 VanDerWaalsContact OG1-CD 3.24Å; T19-E22 VanDerWaalsContact OG1-CG 3.23Å; T19-E22 WeakPolarHBondContact OG1-CG 3.39Å; T19-E22 PolarHBondContact OG1-N 2.89Å; T19-E22 PolarHBondContact OG1-OE2 2.95Å; T19-L23 PolarHBondContact O-N 3.48Å |
| 20 | Y | 82.5 | Confident | 74.5 | Confident | 159 Ų | 159 | 92.2 Ų | 92.2 | 62% | 0.624 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -55.3 | -36.1 | 178 | 177.8 | -102.8 | 0 | 0 | 0 | 113 | L23 L24 | Y20-L23 PolarHBondContact O-N 3.23Å; Y20-L24 WeakPolarHBondContact O-CB 3.3Å; Y20-L24 PolarHBondContact O-N 3.3Å |
| 21 | T | 86.3 | Confident | 76.7 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 61% | 0.613 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70 | -38.5 | 178 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | T19 L24 A25 | T19-T21 PolarHBondContact O-N 3.46Å; T19-T21 PolarHBondContact OG1-OG1 3.39Å; T21-L24 PolarHBondContact O-N 2.9Å; T21-A25 PolarHBondContact O-N 3.14Å |
| 22 | E | 87.4 | Confident | 78.8 | Confident | 54 Ų | 54 | 84.2 Ų | 84.2 | 25% | 0.252 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 172.9 | -72.9 | 167.5 | 141.3 | 0 | 0 | 110.5 | R13 Y18 T19 L24 A25 I26 | R13-E22 IonicContact CZ-OE1 3.68Å; R13-E22 VanDerWaalsContact CZ-OE1 3.31Å; R13-E22 IonicContact NH1-OE1 2.8Å; R13-E22 PolarHBondContact NH1-OE1 3.28Å; R13-E22 IonicContact NH1-OE2 2.88Å; R13-E22 PolarHBondContact NH1-OE2 3.42Å; R13-E22 IonicContact NH2-OE1 3.31Å; R13-E22 PolarHBondContact NH2-OE1 3.19Å; Y18-E22 HydrophobicContact CD1-CB 4.01Å; T19-E22 PolarHBondContact N-OE2 3.37Å; T19-E22 PolarHBondContact O-N 3.05Å; T19-E22 VanDerWaalsContact O-N 3.1Å; T19-E22 VanDerWaalsContact OG1-CD 3.24Å; T19-E22 VanDerWaalsContact OG1-CG 3.23Å; T19-E22 WeakPolarHBondContact OG1-CG 3.39Å; T19-E22 PolarHBondContact OG1-N 2.89Å; T19-E22 PolarHBondContact OG1-OE2 2.95Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.5Å; E22-A25 WeakPolarHBondContact O-CB 3.35Å; E22-A25 PolarHBondContact O-N 3.21Å; E22-A25 VanDerWaalsContact O-N 3.13Å; E22-I26 WeakPolarHBondContact O-CD1 3.46Å; E22-I26 VanDerWaalsContact O-CG1 3.23Å; E22-I26 WeakPolarHBondContact O-CG1 3.49Å; E22-I26 PolarHBondContact O-N 3.02Å |
| 23 | L | 86.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.7 | -67.3 | 170.7 | 0 | 0 | 0 | 111.9 | Y18 T19 Y20 A25 I26 S27 L55 E59 L62 L63 | Y18-L23 HydrophobicContact CD2-CD2 4.19Å; Y18-L23 HydrophobicContact CG-CD2 4.12Å; T19-L23 PolarHBondContact O-N 3.48Å; Y20-L23 PolarHBondContact O-N 3.23Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 2.9Å; L23-I26 HydrophobicContact CD2-CD1 4.46Å; L23-I26 PolarHBondContact O-N 3.25Å; L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.83Å; L23-S27 PolarHBondContact O-OG 3.4Å; L23-L55 HydrophobicContact CD2-CD2 3.98Å; L23-E59 HydrophobicContact CD1-CB 4.37Å; L23-E59 HydrophobicContact CD1-CG 4.22Å; L23-E59 HydrophobicContact CD2-CB 3.92Å; L23-E59 HydrophobicContact CD2-CG 4.25Å; L23-L62 HydrophobicContact CD1-CB 3.75Å; L23-L62 HydrophobicContact CD1-CD1 3.79Å; L23-L62 HydrophobicContact CD1-CG 4.45Å; L23-L63 HydrophobicContact CB-CD2 4.17Å; L23-L63 HydrophobicContact CD2-CD2 3.97Å; L23-L63 HydrophobicContact CD2-CG 4.29Å; L23-L63 WeakPolarHBondContact O-CD2 3.29Å |
| 24 | L | 86.9 | Confident | 82 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 175.1 | -175.3 | 63.8 | 0 | 0 | 0 | 112.5 | Y20 T21 E22 S27 R28 | Y20-L24 WeakPolarHBondContact O-CB 3.3Å; Y20-L24 PolarHBondContact O-N 3.3Å; T21-L24 PolarHBondContact O-N 2.9Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.5Å; L24-S27 PolarHBondContact O-OG 3.03Å; L24-R28 WeakPolarHBondContact O-CB 3.41Å; L24-R28 WeakPolarHBondContact O-CD 3.36Å; L24-R28 WeakPolarHBondContact O-CG 3.31Å; L24-R28 PolarHBondContact O-N 2.87Å; L24-R28 VanDerWaalsContact O-N 3.1Å |
| 25 | A | 89.6 | Confident | 84 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | T21 E22 L23 R28 R29 | T21-A25 PolarHBondContact O-N 3.14Å; E22-A25 WeakPolarHBondContact O-CB 3.35Å; E22-A25 PolarHBondContact O-N 3.21Å; E22-A25 VanDerWaalsContact O-N 3.13Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 2.9Å; A25-R28 PolarHBondContact O-N 3.02Å; A25-R29 WeakPolarHBondContact O-CB 3.38Å; A25-R29 PolarHBondContact O-N 3.14Å |
| 26 | I | 87.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 85.2 Ų | 85.2 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.3 | -67.9 | 162 | 0 | 0 | 0 | 110 | Y18 E22 L23 R28 R29 F30 L53 L63 | Y18-I26 HydrophobicContact CD1-CD1 3.96Å; Y18-I26 HydrophobicContact CE1-CD1 3.95Å; Y18-I26 HydrophobicContact CG-CD1 4.32Å; E22-I26 WeakPolarHBondContact O-CD1 3.46Å; E22-I26 VanDerWaalsContact O-CG1 3.23Å; E22-I26 WeakPolarHBondContact O-CG1 3.49Å; E22-I26 PolarHBondContact O-N 3.02Å; L23-I26 HydrophobicContact CD2-CD1 4.46Å; L23-I26 PolarHBondContact O-N 3.25Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 3.42Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.15Å; I26-F30 HydrophobicContact CG2-CD2 3.64Å; I26-F30 HydrophobicContact CG2-CE2 3.92Å; I26-F30 VanDerWaalsContact O-CD2 3.28Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.4Å; I26-L53 HydrophobicContact CD1-CD1 3.86Å; I26-L53 HydrophobicContact CD1-CD2 4.32Å; I26-L53 HydrophobicContact CG1-CD1 3.99Å; I26-L53 HydrophobicContact CG2-CD1 4.27Å; I26-L53 HydrophobicContact CG2-CD2 3.7Å; I26-L63 HydrophobicContact CB-CD2 3.8Å; I26-L63 HydrophobicContact CG2-CD1 4.23Å; I26-L63 HydrophobicContact CG2-CD2 3.54Å |
| 27 | S | 87.1 | Confident | 86.7 | Confident | 17 Ų | 17 | 82.1 Ų | 82.1 | 12% | 0.119 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | -179.5 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | L23 L24 R29 F30 K31 L63 | L23-S27 WeakPolarHBondContact O-CB 3.45Å; L23-S27 PolarHBondContact O-N 2.83Å; L23-S27 PolarHBondContact O-OG 3.4Å; L24-S27 PolarHBondContact O-OG 3.03Å; S27-R29 PolarHBondContact O-N 3.35Å; S27-F30 PolarHBondContact O-N 2.75Å; S27-K31 WeakPolarHBondContact O-CA 3.24Å; S27-K31 VanDerWaalsContact O-CB 3.28Å; S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 PolarHBondContact O-N 2.81Å; S27-L63 WeakPolarHBondContact CB-O 3.33Å |
| 28 | R | 87.3 | Confident | 87.3 | Confident | 180 Ų | 180 | 76.3 Ų | 76.3 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 175.3 | -73.5 | 172.3 | 179.6 | -175.6 | -0.5 | 112.7 | L24 A25 I26 | L24-R28 WeakPolarHBondContact O-CB 3.41Å; L24-R28 WeakPolarHBondContact O-CD 3.36Å; L24-R28 WeakPolarHBondContact O-CG 3.31Å; L24-R28 PolarHBondContact O-N 2.87Å; L24-R28 VanDerWaalsContact O-N 3.1Å; A25-R28 PolarHBondContact O-N 3.02Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 3.42Å |
| 29 | R | 88.1 | Confident | 87.7 | Confident | 145 Ų | 145 | 78.6 Ų | 78.6 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 179 | 178.6 | 175.9 | 176.3 | 149.2 | -6.3 | 111.8 | A25 I26 S27 Q48 | A25-R29 WeakPolarHBondContact O-CB 3.38Å; A25-R29 PolarHBondContact O-N 3.14Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.15Å; S27-R29 PolarHBondContact O-N 3.35Å; R29-Q48 PolarHBondContact NH2-O 3.25Å |
| 30 | F | 88.7 | Confident | 87.9 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -92 | 2.2 | -177.4 | -65.4 | -69.1 | 0 | 0 | 0 | 113.3 | I26 S27 Q32 W41 R44 V45 Q48 L53 L66 L87 | I26-F30 HydrophobicContact CG2-CD2 3.64Å; I26-F30 HydrophobicContact CG2-CE2 3.92Å; I26-F30 VanDerWaalsContact O-CD2 3.28Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.4Å; S27-F30 PolarHBondContact O-N 2.75Å; F30-Q32 PolarHBondContact O-N 2.9Å; F30-W41 WeakPolarHBondContact O-CZ2 3.44Å; F30-W41 PolarHBondContact O-NE1 3.37Å; F30-R44 PolarHBondContact O-NH2 3.22Å; F30-V45 HydrophobicContact CB-CG2 4.39Å; F30-V45 HydrophobicContact CD1-CB 4.03Å; F30-V45 HydrophobicContact CD1-CG1 3.85Å; F30-V45 HydrophobicContact CD1-CG2 3.73Å; F30-V45 HydrophobicContact CE1-CB 4.31Å; F30-V45 HydrophobicContact CE1-CG1 3.92Å; F30-V45 HydrophobicContact CE1-CG2 4.49Å; F30-V45 HydrophobicContact CG-CG2 4.44Å; F30-Q48 HydrophobicContact CE1-CB 3.78Å; F30-Q48 HydrophobicContact CZ-CB 4.43Å; F30-L53 HydrophobicContact CE2-CD1 4.32Å; F30-L66 HydrophobicContact CB-CD2 4.46Å; F30-L87 HydrophobicContact CB-CD2 4.4Å; F30-L87 HydrophobicContact CD1-CD2 4.25Å; F30-L87 HydrophobicContact CD2-CD2 3.66Å; F30-L87 HydrophobicContact CE1-CD2 4.41Å; F30-L87 HydrophobicContact CE2-CD2 3.89Å; F30-L87 HydrophobicContact CG-CD2 3.86Å; F30-L87 HydrophobicContact CZ-CD2 4.25Å |
| 31 | K | 90.1 | Very high | 88.4 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 131.8 | 178.8 | -168.8 | 173.6 | -177.7 | 178.7 | 0 | 111.1 | S27 N33 R44 L66 | S27-K31 WeakPolarHBondContact O-CA 3.24Å; S27-K31 VanDerWaalsContact O-CB 3.28Å; S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 PolarHBondContact O-N 2.81Å; K31-N33 PolarHBondContact O-N 3.35Å; K31-R44 PolarHBondContact O-NH2 3.41Å; K31-L66 CarbonylContact C-O 3.59Å; K31-L66 WeakPolarHBondContact CA-O 3.42Å |
| 32 | Q | 89.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 68 Ų | 68 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 131.1 | 176.4 | -170.2 | -176 | 16.3 | 0 | 0 | 111 | F30 E36 W41 L66 T67 | F30-Q32 PolarHBondContact O-N 2.9Å; Q32-E36 HydrophobicContact CG-CB 4.09Å; Q32-E36 PolarHBondContact NE2-O 2.89Å; Q32-W41 VanDerWaalsContact CA-CD1 3.42Å; Q32-W41 HydrophobicContact CB-CG 4.13Å; Q32-W41 HydrophobicContact CG-CB 4.22Å; Q32-W41 HydrophobicContact CG-CG 4.02Å; Q32-L66 PolarHBondContact N-O 3Å; Q32-T67 HydrophobicContact CB-CG2 4.4Å |
| 33 | N | 89.1 | Confident | 88.6 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.3 | 175.8 | -70 | -22 | 0 | 0 | 0 | 110.5 | K31 N35 E36 R44 | K31-N33 PolarHBondContact O-N 3.35Å; N33-N35 PolarHBondContact O-N 2.97Å; N33-E36 HydrophobicContact CB-CB 3.93Å; N33-E36 PolarHBondContact N-OE2 2.97Å; N33-E36 VanDerWaalsContact O-CB 3.31Å; N33-E36 WeakPolarHBondContact O-CB 3.28Å; N33-E36 PolarHBondContact O-N 3.41Å; N33-E36 VanDerWaalsContact O-N 3.14Å; N33-R44 PolarHBondContact ND2-NH1 3.16Å; N33-R44 PolarHBondContact OD1-NH1 3Å |
| 34 | P | 85.7 | Confident | 88.9 | Confident | 108 Ų | 108 | 72.8 Ų | 72.8 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 133.8 | 172 | -15.9 | 27.8 | 0 | 0 | 0 | 110 | E36 | P34-E36 PolarHBondContact O-N 3.47Š|
| 35 | N | 87.6 | Confident | 89 | Confident | 172 Ų | 172 | 70 Ų | 70 | 92% | 0.92 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 8 | -178.3 | -48.6 | -46.1 | 0 | 0 | 0 | 115.9 | N33 L37 | N33-N35 PolarHBondContact O-N 2.97Å; N35-L37 PolarHBondContact O-N 2.67Å |
| 36 | E | 89.9 | Confident | 89 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -74.2 | 126.6 | 172.7 | -175.1 | 174.3 | -143.4 | 0 | 0 | 109.8 | Q32 N33 P34 T40 W41 R44 | Q32-E36 HydrophobicContact CG-CB 4.09Å; Q32-E36 PolarHBondContact NE2-O 2.89Å; N33-E36 HydrophobicContact CB-CB 3.93Å; N33-E36 PolarHBondContact N-OE2 2.97Å; N33-E36 VanDerWaalsContact O-CB 3.31Å; N33-E36 WeakPolarHBondContact O-CB 3.28Å; N33-E36 PolarHBondContact O-N 3.41Å; N33-E36 VanDerWaalsContact O-N 3.14Å; P34-E36 PolarHBondContact O-N 3.47Å; E36-T40 HydrophobicContact CG-CG2 4.22Å; E36-W41 HydrophobicContact CG-CB 4.02Å; E36-R44 WeakPolarHBondContact OE1-CD 2.85Å; E36-R44 IonicContact OE1-CZ 3.61Å; E36-R44 IonicContact OE1-NE 3.4Å; E36-R44 PolarHBondContact OE1-NE 3.02Å; E36-R44 IonicContact OE1-NH1 3.7Å; E36-R44 IonicContact OE2-CZ 3.45Å; E36-R44 IonicContact OE2-NE 3.97Å; E36-R44 IonicContact OE2-NH1 3.42Å; E36-R44 PolarHBondContact OE2-NH1 3.3Å; E36-R44 IonicContact OE2-NH2 3.31Å | ||
| 37 | L | 89.5 | Confident | 89.1 | Confident | 119 Ų | 119 | 79.8 Ų | 79.8 | 62% | 0.623 | 39% | 0.393 | S | S | * | . | trans | -65.8 | 146.3 | 174.2 | -63.2 | 174.9 | 0 | 0 | 0 | 110.2 | N35 V39 T40 W41 | N35-L37 PolarHBondContact O-N 2.67Å; L37-V39 VanDerWaalsContact C-N 3.25Å; L37-V39 HydrophobicContact CB-CG1 4.17Å; L37-V39 PolarHBondContact O-N 3.15Å; L37-T40 WeakPolarHBondContact O-CB 3.43Å; L37-T40 PolarHBondContact O-N 3.5Å; L37-W41 PolarHBondContact O-N 3.31Å | ||
| 38 | M | 87.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.9 | -41.3 | 179.9 | -170.6 | 65.5 | 77.3 | 0 | 0 | 112.3 | T40 W41 I42 T67 D69 F72 | M38-T40 PolarHBondContact O-N 2.73Å; M38-W41 WeakPolarHBondContact O-CB 3.43Å; M38-W41 PolarHBondContact O-N 2.86Å; M38-W41 HydrophobicContact SD-CE3 3.73Å; M38-W41 HydrophobicContact SD-CZ3 4.19Å; M38-I42 HydrophobicContact CG-CD1 4.27Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 3.5Å; M38-T67 HydrophobicContact CE-CG2 4.01Å; M38-T67 HydrophobicContact SD-CG2 3.95Å; M38-D69 HydrophobicContact CE-CB 4.09Å; M38-F72 HydrophobicContact CE-CB 4.15Å; M38-F72 HydrophobicContact CE-CD1 4.48Å; M38-F72 HydrophobicContact CE-CD2 4.14Å; M38-F72 HydrophobicContact CE-CG 3.98Å; M38-F72 HydrophobicContact SD-CD2 4.42Å; M38-F72 HydrophobicContact SD-CE2 4.48Å |
| 39 | V | 88.3 | Confident | 89 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | L37 W41 I42 L43 | L37-V39 VanDerWaalsContact C-N 3.25Å; L37-V39 HydrophobicContact CB-CG1 4.17Å; L37-V39 PolarHBondContact O-N 3.15Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 2.97Å; V39-I42 PolarHBondContact O-N 2.92Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 3.4Å |
| 40 | T | 91.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | E36 L37 M38 L43 R44 | E36-T40 HydrophobicContact CG-CG2 4.22Å; L37-T40 WeakPolarHBondContact O-CB 3.43Å; L37-T40 PolarHBondContact O-N 3.5Å; M38-T40 PolarHBondContact O-N 2.73Å; T40-L43 PolarHBondContact O-N 3.41Å; T40-R44 WeakPolarHBondContact O-CB 3.36Å; T40-R44 PolarHBondContact O-N 2.81Å |
| 41 | W | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.9 | 177.9 | 73.8 | 0 | 0 | 0 | 112.3 | F30 Q32 E36 L37 M38 V39 L43 R44 V45 L66 T67 F72 L91 | F30-W41 WeakPolarHBondContact O-CZ2 3.44Å; F30-W41 PolarHBondContact O-NE1 3.37Å; Q32-W41 VanDerWaalsContact CA-CD1 3.42Å; Q32-W41 HydrophobicContact CB-CG 4.13Å; Q32-W41 HydrophobicContact CG-CB 4.22Å; Q32-W41 HydrophobicContact CG-CG 4.02Å; E36-W41 HydrophobicContact CG-CB 4.02Å; L37-W41 PolarHBondContact O-N 3.31Å; M38-W41 WeakPolarHBondContact O-CB 3.43Å; M38-W41 PolarHBondContact O-N 2.86Å; M38-W41 HydrophobicContact SD-CE3 3.73Å; M38-W41 HydrophobicContact SD-CZ3 4.19Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 2.97Å; W41-L43 PolarHBondContact O-N 3.18Å; W41-R44 WeakPolarHBondContact O-CB 3.42Å; W41-R44 PolarHBondContact O-N 3.18Å; W41-V45 HydrophobicContact CD2-CG2 4.15Å; W41-V45 HydrophobicContact CH2-CG2 4.29Å; W41-V45 HydrophobicContact CZ2-CG2 3.79Å; W41-V45 WeakPolarHBondContact O-CG2 3.08Å; W41-V45 PolarHBondContact O-N 3.4Å; W41-L66 HydrophobicContact CH2-CB 4.19Å; W41-L66 HydrophobicContact CH2-CD1 4.4Å; W41-L66 HydrophobicContact CZ2-CB 3.9Å; W41-L66 HydrophobicContact CZ2-CD1 4.44Å; W41-T67 HydrophobicContact CD2-CG2 4.21Å; W41-T67 HydrophobicContact CE3-CG2 4.02Å; W41-T67 HydrophobicContact CH2-CG2 3.86Å; W41-T67 HydrophobicContact CZ2-CG2 4.07Å; W41-T67 HydrophobicContact CZ3-CG2 3.84Å; W41-F72 HydrophobicContact CH2-CE1 4.04Å; W41-F72 HydrophobicContact CH2-CZ 4.36Å; W41-F72 AromaticContact CZ3-CE1 3.87Å; W41-F72 HydrophobicContact CZ3-CE1 3.87Å; W41-F72 AromaticContact CZ3-CZ 3.85Å; W41-F72 HydrophobicContact CZ3-CZ 3.85Å; W41-L91 HydrophobicContact CH2-CD1 3.44Å; W41-L91 VanDerWaalsContact CH2-CD1 3.44Å; W41-L91 HydrophobicContact CH2-CD2 3.45Å; W41-L91 VanDerWaalsContact CH2-CD2 3.45Å; W41-L91 HydrophobicContact CH2-CG 4.04Å; W41-L91 HydrophobicContact CZ2-CD1 4.29Å; W41-L91 HydrophobicContact CZ3-CD1 3.62Å; W41-L91 HydrophobicContact CZ3-CD2 3.81Å; W41-L91 HydrophobicContact CZ3-CG 4.18Å |
| 42 | I | 88.4 | Confident | 88.4 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 21% | 0.205 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177 | -68.4 | 170 | 0 | 0 | 0 | 110.9 | M38 V39 R44 V45 Y46 L88 | M38-I42 HydrophobicContact CG-CD1 4.27Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 3.5Å; V39-I42 PolarHBondContact O-N 2.92Å; I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 3.36Å; I42-V45 PolarHBondContact O-N 2.82Å; I42-Y46 PolarHBondContact O-N 3.29Å; I42-L88 HydrophobicContact CG2-CD1 4.11Å |
| 43 | L | 90.9 | Very high | 88.1 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 60% | 0.597 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62 | -38.4 | 176.9 | -72.2 | 173.6 | 0 | 0 | 0 | 112 | V39 T40 W41 Y46 D47 | V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 3.4Å; T40-L43 PolarHBondContact O-N 3.41Å; W41-L43 PolarHBondContact O-N 3.18Å; L43-Y46 WeakPolarHBondContact O-CB 3.28Å; L43-Y46 PolarHBondContact O-N 3.15Å; L43-D47 WeakPolarHBondContact O-CB 3.47Å; L43-D47 PolarHBondContact O-N 3.36Å |
| 44 | R | 92.5 | Very high | 87.8 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 174.7 | -173.7 | -170.5 | 68.5 | 161.9 | 8.8 | 111.8 | F30 K31 N33 E36 T40 W41 I42 Y46 D47 Q48 | F30-R44 PolarHBondContact O-NH2 3.22Å; K31-R44 PolarHBondContact O-NH2 3.41Å; N33-R44 PolarHBondContact ND2-NH1 3.16Å; N33-R44 PolarHBondContact OD1-NH1 3Å; E36-R44 WeakPolarHBondContact OE1-CD 2.85Å; E36-R44 IonicContact OE1-CZ 3.61Å; E36-R44 IonicContact OE1-NE 3.4Å; E36-R44 PolarHBondContact OE1-NE 3.02Å; E36-R44 IonicContact OE1-NH1 3.7Å; E36-R44 IonicContact OE2-CZ 3.45Å; E36-R44 IonicContact OE2-NE 3.97Å; E36-R44 IonicContact OE2-NH1 3.42Å; E36-R44 PolarHBondContact OE2-NH1 3.3Å; E36-R44 IonicContact OE2-NH2 3.31Å; T40-R44 WeakPolarHBondContact O-CB 3.36Å; T40-R44 PolarHBondContact O-N 2.81Å; W41-R44 WeakPolarHBondContact O-CB 3.42Å; W41-R44 PolarHBondContact O-N 3.18Å; I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 3.36Å; R44-Y46 VanDerWaalsContact C-N 3.29Å; R44-Y46 PolarHBondContact O-N 3.44Å; R44-D47 PolarHBondContact O-N 3.47Å; R44-Q48 HydrophobicContact CG-CG 4.32Å; R44-Q48 VanDerWaalsContact O-CB 3.3Å; R44-Q48 WeakPolarHBondContact O-CB 3.32Å; R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.35Å; R44-Q48 PolarHBondContact O-N 3.26Å |
| 45 | V | 89.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | F30 W41 I42 G49 G50 L87 L91 | F30-V45 HydrophobicContact CB-CG2 4.39Å; F30-V45 HydrophobicContact CD1-CB 4.03Å; F30-V45 HydrophobicContact CD1-CG1 3.85Å; F30-V45 HydrophobicContact CD1-CG2 3.73Å; F30-V45 HydrophobicContact CE1-CB 4.31Å; F30-V45 HydrophobicContact CE1-CG1 3.92Å; F30-V45 HydrophobicContact CE1-CG2 4.49Å; F30-V45 HydrophobicContact CG-CG2 4.44Å; W41-V45 HydrophobicContact CD2-CG2 4.15Å; W41-V45 HydrophobicContact CH2-CG2 4.29Å; W41-V45 HydrophobicContact CZ2-CG2 3.79Å; W41-V45 WeakPolarHBondContact O-CG2 3.08Å; W41-V45 PolarHBondContact O-N 3.4Å; I42-V45 PolarHBondContact O-N 2.82Å; V45-G49 PolarHBondContact O-N 2.8Å; V45-G50 WeakPolarHBondContact O-CA 3.49Å; V45-G50 PolarHBondContact O-N 2.95Å; V45-L87 HydrophobicContact CG1-CD2 3.9Å; V45-L87 HydrophobicContact CG1-CG 4.27Å; V45-L91 HydrophobicContact CB-CD1 4.17Å; V45-L91 HydrophobicContact CG1-CD1 3.72Å; V45-L91 HydrophobicContact CG2-CD1 4.08Å |
| 46 | Y | 88.3 | Confident | 87.4 | Confident | 144 Ų | 144 | 54.4 Ų | 54.4 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.9 | -54.3 | 174.5 | -176.3 | -84.4 | 0 | 0 | 0 | 111.4 | I42 L43 R44 Q48 G49 P51 L88 | I42-Y46 PolarHBondContact O-N 3.29Å; L43-Y46 WeakPolarHBondContact O-CB 3.28Å; L43-Y46 PolarHBondContact O-N 3.15Å; R44-Y46 VanDerWaalsContact C-N 3.29Å; R44-Y46 PolarHBondContact O-N 3.44Å; Y46-Q48 PolarHBondContact O-N 3.09Å; Y46-G49 PolarHBondContact O-N 2.82Å; Y46-P51 HydrophobicContact CD2-CG 4.19Å; Y46-P51 HydrophobicContact CE2-CG 4.24Å; Y46-L88 HydrophobicContact CD2-CD1 4.32Å; Y46-L88 HydrophobicContact CD2-CD2 3.47Å; Y46-L88 VanDerWaalsContact CD2-CD2 3.47Å; Y46-L88 HydrophobicContact CE2-CD2 3.98Å |
| 47 | D | 89.8 | Confident | 86.9 | Confident | 136 Ų | 136 | 54.7 Ų | 54.7 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.7 | -38.6 | -178.3 | -175.2 | 71.7 | 0 | 0 | 0 | 112.8 | L43 R44 G49 | L43-D47 WeakPolarHBondContact O-CB 3.47Å; L43-D47 PolarHBondContact O-N 3.36Å; R44-D47 PolarHBondContact O-N 3.47Å; D47-G49 PolarHBondContact O-N 3.35Å |
| 48 | Q | 87.4 | Confident | 86.4 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 3.2 | -178.3 | -70.8 | -174.7 | 7 | 0 | 0 | 114.8 | R29 F30 R44 Y46 | R29-Q48 PolarHBondContact NH2-O 3.25Å; F30-Q48 HydrophobicContact CE1-CB 3.78Å; F30-Q48 HydrophobicContact CZ-CB 4.43Å; R44-Q48 HydrophobicContact CG-CG 4.32Å; R44-Q48 VanDerWaalsContact O-CB 3.3Å; R44-Q48 WeakPolarHBondContact O-CB 3.32Å; R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.35Å; R44-Q48 PolarHBondContact O-N 3.26Å; Y46-Q48 PolarHBondContact O-N 3.09Å |
| 49 | G | 85.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | 22.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | V45 Y46 D47 P51 A52 L53 | V45-G49 PolarHBondContact O-N 2.8Å; Y46-G49 PolarHBondContact O-N 2.82Å; D47-G49 PolarHBondContact O-N 3.35Å; G49-P51 VanDerWaalsContact C-N 3.28Å; G49-A52 PolarHBondContact O-N 2.84Å; G49-L53 PolarHBondContact O-N 3.38Å |
| 50 | G | 85.3 | Confident | 86 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -50.3 | -37.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V45 A52 L53 L87 | V45-G50 WeakPolarHBondContact O-CA 3.49Å; V45-G50 PolarHBondContact O-N 2.95Å; G50-A52 VanDerWaalsContact C-N 3.33Å; G50-A52 PolarHBondContact O-N 3.22Å; G50-L53 PolarHBondContact O-N 2.96Å; G50-L87 PolarHBondContact O-N 2.9Å |
| 51 | P | 84.8 | Confident | 85.4 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -66.6 | -27.9 | 173.5 | -23.5 | 33.7 | 0 | 0 | 0 | 114.7 | Y46 G49 L53 T86 L88 | Y46-P51 HydrophobicContact CD2-CG 4.19Å; Y46-P51 HydrophobicContact CE2-CG 4.24Å; G49-P51 VanDerWaalsContact C-N 3.28Å; P51-L53 VanDerWaalsContact C-N 3.3Å; P51-T86 WeakPolarHBondContact O-CB 3.35Å; P51-T86 WeakPolarHBondContact O-CG2 3.37Å; P51-L88 HydrophobicContact CG-CB 4.4Å; P51-L88 HydrophobicContact CG-CD2 3.95Å |
| 52 | A | 83.9 | Confident | 85 | Confident | 52 Ų | 52 | 47 Ų | 47 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -83.6 | -11.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G49 G50 S54 | G49-A52 PolarHBondContact O-N 2.84Å; G50-A52 VanDerWaalsContact C-N 3.33Å; G50-A52 PolarHBondContact O-N 3.22Å; A52-S54 PolarHBondContact O-N 3.41Å |
| 53 | L | 83.1 | Confident | 84.7 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -97.6 | 86.6 | -174.4 | -161 | 115.5 | 0 | 0 | 0 | 110.5 | I26 F30 G49 G50 P51 L55 T86 L87 | I26-L53 HydrophobicContact CD1-CD1 3.86Å; I26-L53 HydrophobicContact CD1-CD2 4.32Å; I26-L53 HydrophobicContact CG1-CD1 3.99Å; I26-L53 HydrophobicContact CG2-CD1 4.27Å; I26-L53 HydrophobicContact CG2-CD2 3.7Å; F30-L53 HydrophobicContact CE2-CD1 4.32Å; G49-L53 PolarHBondContact O-N 3.38Å; G50-L53 PolarHBondContact O-N 2.96Å; P51-L53 VanDerWaalsContact C-N 3.3Å; L53-L55 HydrophobicContact CD2-CD1 3.55Å; L53-L55 HydrophobicContact CD2-CD2 3.86Å; L53-L55 HydrophobicContact CD2-CG 3.67Å; L53-T86 CarbonylContact O-C 3.59Å; L53-T86 WeakPolarHBondContact O-CA 3.3Å; L53-L87 HydrophobicContact CB-CB 4.36Å; L53-L87 HydrophobicContact CD2-CB 3.93Å; L53-L87 HydrophobicContact CD2-CD2 4.07Å; L53-L87 PolarHBondContact O-N 3.37Å | ||
| 54 | S | 84.7 | Confident | 84.1 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 43% | 0.427 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.3 | 175 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | Y18 A52 Q85 | Y18-S54 VanDerWaalsContact CE2-O 3.32Å; Y18-S54 WeakPolarHBondContact CE2-O 3.39Å; A52-S54 PolarHBondContact O-N 3.41Å; S54-Q85 WeakPolarHBondContact CA-O 3.44Å |
| 55 | L | 82.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.6 | 178.6 | -62.5 | 160.7 | 0 | 0 | 0 | 110 | Y18 L23 L53 E59 L60 L63 Q85 L87 W90 | Y18-L55 HydrophobicContact CD2-CD2 3.76Å; Y18-L55 HydrophobicContact CE2-CD2 3.69Å; L23-L55 HydrophobicContact CD2-CD2 3.98Å; L53-L55 HydrophobicContact CD2-CD1 3.55Å; L53-L55 HydrophobicContact CD2-CD2 3.86Å; L53-L55 HydrophobicContact CD2-CG 3.67Å; L55-E59 WeakPolarHBondContact CA-OE2 3.43Å; L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 3.96Å; L55-L60 HydrophobicContact CD1-CD1 4.26Å; L55-L63 HydrophobicContact CD1-CD1 3.43Å; L55-L63 VanDerWaalsContact CD1-CD1 3.43Å; L55-L63 HydrophobicContact CD2-CD1 4.39Å; L55-Q85 PolarHBondContact N-O 3.1Å; L55-Q85 PolarHBondContact O-N 3.19Å; L55-L87 HydrophobicContact CD1-CB 3.97Å; L55-L87 HydrophobicContact CD1-CD1 3.74Å; L55-L87 HydrophobicContact CD1-CG 4.37Å; L55-W90 PolarHBondContact O-NE1 3.03Å |
| 56 | N | 82 | Confident | 83.3 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | trans | -81.1 | 166.6 | 164.6 | 72.9 | 58.9 | 0 | 0 | 0 | 111.4 | Y17 G58 E59 L60 | Y17-N56 VanDerWaalsContact CD1-ND2 3.3Å; Y17-N56 WeakPolarHBondContact CD1-ND2 3.23Å; Y17-N56 WeakPolarHBondContact CE1-ND2 3.04Å; N56-G58 VanDerWaalsContact C-N 3.26Å; N56-G58 PolarHBondContact O-N 3.24Å; N56-G58 VanDerWaalsContact OD1-CA 3.26Å; N56-G58 WeakPolarHBondContact OD1-CA 3.41Å; N56-G58 PolarHBondContact OD1-N 3.3Å; N56-E59 PolarHBondContact N-OE2 2.88Å; N56-E59 VanDerWaalsContact ND2-CG 3.35Å; N56-E59 WeakPolarHBondContact ND2-CG 3.46Å; N56-E59 PolarHBondContact ND2-OE1 2.81Å; N56-E59 PolarHBondContact ND2-OE2 3.38Å; N56-E59 VanDerWaalsContact ND2-OE2 3.11Å; N56-E59 PolarHBondContact O-N 2.85Å; N56-E59 PolarHBondContact OD1-N 3.48Å; N56-L60 PolarHBondContact O-N 3.37Å | ||
| 57 | S | 78.7 | Confident | 83.1 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -32.2 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | G61 | S57-G61 PolarHBondContact O-N 2.95Å |
| 58 | G | 79.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N56 G61 L62 | N56-G58 VanDerWaalsContact C-N 3.26Å; N56-G58 PolarHBondContact O-N 3.24Å; N56-G58 VanDerWaalsContact OD1-CA 3.26Å; N56-G58 WeakPolarHBondContact OD1-CA 3.41Å; N56-G58 PolarHBondContact OD1-N 3.3Å; G58-G61 CarbonylContact O-C 3.58Å; G58-G61 WeakPolarHBondContact O-CA 3.45Å; G58-G61 PolarHBondContact O-N 3.4Å; G58-G61 VanDerWaalsContact O-N 3.15Å; G58-L62 WeakPolarHBondContact O-CG 3.47Å; G58-L62 PolarHBondContact O-N 2.89Å |
| 59 | E | 84.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 177 | -72.7 | 168.4 | 162.5 | 0 | 0 | 111.8 | Y17 Y18 L23 L55 N56 G61 L62 L63 | Y17-E59 VanDerWaalsContact CA-OE1 3.29Å; Y17-E59 WeakPolarHBondContact CA-OE1 3.49Å; Y18-E59 PolarHBondContact N-OE1 3.34Å; L23-E59 HydrophobicContact CD1-CB 4.37Å; L23-E59 HydrophobicContact CD1-CG 4.22Å; L23-E59 HydrophobicContact CD2-CB 3.92Å; L23-E59 HydrophobicContact CD2-CG 4.25Å; L55-E59 WeakPolarHBondContact CA-OE2 3.43Å; L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 3.96Å; N56-E59 PolarHBondContact N-OE2 2.88Å; N56-E59 VanDerWaalsContact ND2-CG 3.35Å; N56-E59 WeakPolarHBondContact ND2-CG 3.46Å; N56-E59 PolarHBondContact ND2-OE1 2.81Å; N56-E59 PolarHBondContact ND2-OE2 3.38Å; N56-E59 VanDerWaalsContact ND2-OE2 3.11Å; N56-E59 PolarHBondContact O-N 2.85Å; N56-E59 PolarHBondContact OD1-N 3.48Å; E59-G61 PolarHBondContact O-N 2.77Å; E59-L62 CarbonylContact O-C 3.56Å; E59-L62 WeakPolarHBondContact O-CA 3.21Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.47Å; E59-L63 PolarHBondContact O-N 3.31Å |
| 60 | L | 82.3 | Confident | 82.4 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -41 | 172.8 | -172 | 72.7 | 0 | 0 | 0 | 110.9 | L55 N56 L62 L63 C76 L87 W90 | L55-L60 HydrophobicContact CD1-CD1 4.26Å; N56-L60 PolarHBondContact O-N 3.37Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 PolarHBondContact O-N 3.21Å; L60-L63 HydrophobicContact CD1-CD1 4.32Å; L60-L63 PolarHBondContact O-N 3.43Å; L60-C76 WeakPolarHBondContact CD2-O 3.32Å; L60-L87 HydrophobicContact CD1-CD1 4.11Å; L60-W90 HydrophobicContact CD1-CB 4.2Å; L60-W90 HydrophobicContact CD1-CG 4.17Å; L60-W90 HydrophobicContact CD2-CB 4.04Å; L60-W90 HydrophobicContact CD2-CD2 3.67Å; L60-W90 HydrophobicContact CD2-CE3 4.02Å; L60-W90 HydrophobicContact CD2-CG 3.73Å |
| 61 | G | 79.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -26.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S57 G58 E59 | S57-G61 PolarHBondContact O-N 2.95Å; G58-G61 CarbonylContact O-C 3.58Å; G58-G61 WeakPolarHBondContact O-CA 3.45Å; G58-G61 PolarHBondContact O-N 3.4Å; G58-G61 VanDerWaalsContact O-N 3.15Å; E59-G61 PolarHBondContact O-N 2.77Å |
| 62 | L | 82.3 | Confident | 82 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 52% | 0.518 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -87.2 | -17.3 | 178.1 | -73.1 | 172.8 | 0 | 0 | 0 | 113.1 | L23 G58 E59 L60 G64 | L23-L62 HydrophobicContact CD1-CB 3.75Å; L23-L62 HydrophobicContact CD1-CD1 3.79Å; L23-L62 HydrophobicContact CD1-CG 4.45Å; G58-L62 WeakPolarHBondContact O-CG 3.47Å; G58-L62 PolarHBondContact O-N 2.89Å; E59-L62 CarbonylContact O-C 3.56Å; E59-L62 WeakPolarHBondContact O-CA 3.21Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.47Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 PolarHBondContact O-N 3.21Å; L62-G64 PolarHBondContact O-N 3.47Å; L62-G64 VanDerWaalsContact O-N 3.11Å |
| 63 | L | 82.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -62.9 | -13.5 | 173 | -74.9 | 178.4 | 0 | 0 | 0 | 113 | L23 I26 S27 L55 E59 L60 L66 L87 | L23-L63 HydrophobicContact CB-CD2 4.17Å; L23-L63 HydrophobicContact CD2-CD2 3.97Å; L23-L63 HydrophobicContact CD2-CG 4.29Å; L23-L63 WeakPolarHBondContact O-CD2 3.29Å; I26-L63 HydrophobicContact CB-CD2 3.8Å; I26-L63 HydrophobicContact CG2-CD1 4.23Å; I26-L63 HydrophobicContact CG2-CD2 3.54Å; S27-L63 WeakPolarHBondContact CB-O 3.33Å; L55-L63 HydrophobicContact CD1-CD1 3.43Å; L55-L63 VanDerWaalsContact CD1-CD1 3.43Å; L55-L63 HydrophobicContact CD2-CD1 4.39Å; E59-L63 PolarHBondContact O-N 3.31Å; L60-L63 HydrophobicContact CD1-CD1 4.32Å; L60-L63 PolarHBondContact O-N 3.43Å; L63-L66 HydrophobicContact CB-CD2 4.29Å; L63-L87 HydrophobicContact CD1-CD1 4.2Å |
| 64 | G | 78.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | trans | 67.3 | -157 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L62 L66 | L62-G64 PolarHBondContact O-N 3.47Å; L62-G64 VanDerWaalsContact O-N 3.11Å; G64-L66 PolarHBondContact O-N 2.99Å | ||
| 65 | D | 81.1 | Confident | 81.5 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -82 | 108.2 | -178.2 | -66.9 | -10.5 | 0 | 0 | 0 | 109.6 | N73 K77 | D65-N73 WeakPolarHBondContact CB-ND2 3.38Å; D65-K77 IonicContact OD1-NZ 2.93Å; D65-K77 PolarHBondContact OD1-NZ 2.8Å | ||
| 66 | L | 84.8 | Confident | 81.3 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -77.5 | -31.7 | 179.3 | -69.4 | 177.4 | 0 | 0 | 0 | 111.6 | F30 K31 Q32 W41 L63 G64 N73 L87 L91 | F30-L66 HydrophobicContact CB-CD2 4.46Å; K31-L66 CarbonylContact C-O 3.59Å; K31-L66 WeakPolarHBondContact CA-O 3.42Å; Q32-L66 PolarHBondContact N-O 3Å; W41-L66 HydrophobicContact CH2-CB 4.19Å; W41-L66 HydrophobicContact CH2-CD1 4.4Å; W41-L66 HydrophobicContact CZ2-CB 3.9Å; W41-L66 HydrophobicContact CZ2-CD1 4.44Å; L63-L66 HydrophobicContact CB-CD2 4.29Å; G64-L66 PolarHBondContact O-N 2.99Å; L66-N73 PolarHBondContact N-OD1 3.1Å; L66-L87 HydrophobicContact CD1-CD1 4.03Å; L66-L91 HydrophobicContact CD1-CD2 4.36Å |
| 67 | T | 83.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -114.3 | 165.5 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 109.7 | Q32 M38 W41 D69 F72 N73 | Q32-T67 HydrophobicContact CB-CG2 4.4Å; M38-T67 HydrophobicContact CE-CG2 4.01Å; M38-T67 HydrophobicContact SD-CG2 3.95Å; W41-T67 HydrophobicContact CD2-CG2 4.21Å; W41-T67 HydrophobicContact CE3-CG2 4.02Å; W41-T67 HydrophobicContact CH2-CG2 3.86Å; W41-T67 HydrophobicContact CZ2-CG2 4.07Å; W41-T67 HydrophobicContact CZ3-CG2 3.84Å; T67-D69 PolarHBondContact O-N 3.05Å; T67-D69 PolarHBondContact OG1-N 2.8Å; T67-D69 PolarHBondContact OG1-O 3.35Å; T67-F72 HydrophobicContact CG2-CD1 3.58Å; T67-F72 HydrophobicContact CG2-CE1 3.76Å; T67-F72 HydrophobicContact CG2-CG 4.43Å; T67-F72 WeakPolarHBondContact OG1-CD1 3.49Å; T67-N73 PolarHBondContact N-OD1 3.21Å; T67-N73 PolarHBondContact O-ND2 2.89Å; T67-N73 PolarHBondContact OG1-ND2 3.5Å; T67-N73 PolarHBondContact OG1-OD1 3.42Å |
| 68 | H | 81.7 | Confident | 80.8 | Confident | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -81.6 | 6.6 | 168.6 | -75.2 | 82.5 | 0 | 0 | 0 | 112.4 | ||
| 69 | D | 83 | Confident | 80.4 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | trans | -95.2 | 108.6 | -176.9 | -174.4 | -32.2 | 0 | 0 | 0 | 110.3 | M38 T67 I71 F72 N73 | M38-D69 HydrophobicContact CE-CB 4.09Å; T67-D69 PolarHBondContact O-N 3.05Å; T67-D69 PolarHBondContact OG1-N 2.8Å; T67-D69 PolarHBondContact OG1-O 3.35Å; D69-I71 VanDerWaalsContact C-N 3.28Å; D69-I71 PolarHBondContact O-N 3.23Å; D69-I71 WeakPolarHBondContact OD1-CA 3.41Å; D69-I71 WeakPolarHBondContact OD1-CB 3.32Å; D69-I71 PolarHBondContact OD1-N 3.05Å; D69-F72 HydrophobicContact CB-CB 3.77Å; D69-F72 PolarHBondContact O-N 2.93Å; D69-F72 PolarHBondContact OD1-N 3.37Å; D69-N73 WeakPolarHBondContact O-CB 3.5Å; D69-N73 PolarHBondContact O-N 3.49Å; D69-N73 PolarHBondContact O-ND2 3.1Å | ||
| 70 | A | 81.8 | Confident | 79.4 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 65% | 0.645 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.5 | -33.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y74 | A70-Y74 WeakPolarHBondContact O-CB 3.5Å; A70-Y74 PolarHBondContact O-N 2.92Å |
| 71 | I | 81.2 | Confident | 78.5 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 59% | 0.59 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.7 | -46.8 | 179.4 | -59 | 176.1 | 0 | 0 | 0 | 109 | D69 Y74 R75 | D69-I71 VanDerWaalsContact C-N 3.28Å; D69-I71 PolarHBondContact O-N 3.23Å; D69-I71 WeakPolarHBondContact OD1-CA 3.41Å; D69-I71 WeakPolarHBondContact OD1-CB 3.32Å; D69-I71 PolarHBondContact OD1-N 3.05Å; I71-Y74 WeakPolarHBondContact O-CB 3.2Å; I71-Y74 PolarHBondContact O-N 3.07Å; I71-R75 WeakPolarHBondContact O-CG 3.49Å; I71-R75 PolarHBondContact O-N 3.29Å |
| 72 | F | 81.1 | Confident | 77.6 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 176.5 | -176.6 | -95.1 | 0 | 0 | 0 | 111.8 | M38 W41 T67 D69 Y74 R75 C76 L91 A94 | M38-F72 HydrophobicContact CE-CB 4.15Å; M38-F72 HydrophobicContact CE-CD1 4.48Å; M38-F72 HydrophobicContact CE-CD2 4.14Å; M38-F72 HydrophobicContact CE-CG 3.98Å; M38-F72 HydrophobicContact SD-CD2 4.42Å; M38-F72 HydrophobicContact SD-CE2 4.48Å; W41-F72 HydrophobicContact CH2-CE1 4.04Å; W41-F72 HydrophobicContact CH2-CZ 4.36Å; W41-F72 AromaticContact CZ3-CE1 3.87Å; W41-F72 HydrophobicContact CZ3-CE1 3.87Å; W41-F72 AromaticContact CZ3-CZ 3.85Å; W41-F72 HydrophobicContact CZ3-CZ 3.85Å; T67-F72 HydrophobicContact CG2-CD1 3.58Å; T67-F72 HydrophobicContact CG2-CE1 3.76Å; T67-F72 HydrophobicContact CG2-CG 4.43Å; T67-F72 WeakPolarHBondContact OG1-CD1 3.49Å; D69-F72 HydrophobicContact CB-CB 3.77Å; D69-F72 PolarHBondContact O-N 2.93Å; D69-F72 PolarHBondContact OD1-N 3.37Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 3.32Å; F72-R75 PolarHBondContact O-N 3.16Å; F72-C76 WeakPolarHBondContact CE1-SG 3.13Å; F72-C76 PolarHBondContact O-N 2.97Å; F72-C76 PolarHBondContact O-SG 2.98Å; F72-C76 VanDerWaalsContact O-SG 3.38Å; F72-L91 HydrophobicContact CE1-CD2 3.83Å; F72-L91 HydrophobicContact CZ-CB 4.31Å; F72-L91 HydrophobicContact CZ-CD2 3.6Å; F72-A94 HydrophobicContact CD2-CB 4.29Å; F72-A94 HydrophobicContact CE2-CB 3.87Å; F72-A94 HydrophobicContact CZ-CB 4.27Å |
| 73 | N | 81.9 | Confident | 77 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 177.9 | -70.1 | -46.3 | 0 | 0 | 0 | 112 | D65 L66 T67 D69 C76 K77 | D65-N73 WeakPolarHBondContact CB-ND2 3.38Å; L66-N73 PolarHBondContact N-OD1 3.1Å; T67-N73 PolarHBondContact N-OD1 3.21Å; T67-N73 PolarHBondContact O-ND2 2.89Å; T67-N73 PolarHBondContact OG1-ND2 3.5Å; T67-N73 PolarHBondContact OG1-OD1 3.42Å; D69-N73 WeakPolarHBondContact O-CB 3.5Å; D69-N73 PolarHBondContact O-N 3.49Å; D69-N73 PolarHBondContact O-ND2 3.1Å; N73-C76 PolarHBondContact O-N 3.46Å; N73-K77 WeakPolarHBondContact O-CG 3.32Å; N73-K77 PolarHBondContact O-N 3.13Å |
| 74 | Y | 81.4 | Confident | 76.7 | Confident | 165 Ų | 165 | 70.6 Ų | 70.6 | 65% | 0.647 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 173.7 | 177.6 | -98.8 | 0 | 0 | 0 | 111.5 | A70 I71 F72 K77 A78 | A70-Y74 WeakPolarHBondContact O-CB 3.5Å; A70-Y74 PolarHBondContact O-N 2.92Å; I71-Y74 WeakPolarHBondContact O-CB 3.2Å; I71-Y74 PolarHBondContact O-N 3.07Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 3.32Å; Y74-K77 CarbonylContact O-C 3.51Å; Y74-K77 WeakPolarHBondContact O-CB 3.38Å; Y74-K77 PolarHBondContact O-N 3.11Å; Y74-K77 VanDerWaalsContact O-N 3.16Å; Y74-A78 WeakPolarHBondContact O-CB 3.23Å; Y74-A78 PolarHBondContact O-N 3.45Å |
| 75 | R | 77.1 | Confident | 76.9 | Confident | 138 Ų | 138 | 71.6 Ų | 71.6 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.6 | -70.6 | -171.7 | -177.7 | -172.1 | -1.6 | 112 | I71 F72 K77 A78 L79 A94 | I71-R75 WeakPolarHBondContact O-CG 3.49Å; I71-R75 PolarHBondContact O-N 3.29Å; F72-R75 PolarHBondContact O-N 3.16Å; R75-K77 VanDerWaalsContact C-N 3.25Å; R75-K77 PolarHBondContact O-N 3.4Å; R75-A78 WeakPolarHBondContact O-CB 3.46Å; R75-A78 PolarHBondContact O-N 3.45Å; R75-L79 WeakPolarHBondContact O-CG 3.17Å; R75-L79 PolarHBondContact O-N 3.42Å; R75-A94 HydrophobicContact CB-CB 3.93Å; R75-A94 WeakPolarHBondContact CD-O 3.33Å; R75-A94 PolarHBondContact NH1-O 3.18Å |
| 76 | C | 77.9 | Confident | 77 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.8 | -38.8 | 171.8 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | L60 F72 N73 | L60-C76 WeakPolarHBondContact CD2-O 3.32Å; F72-C76 WeakPolarHBondContact CE1-SG 3.13Å; F72-C76 PolarHBondContact O-N 2.97Å; F72-C76 PolarHBondContact O-SG 2.98Å; F72-C76 VanDerWaalsContact O-SG 3.38Å; N73-C76 PolarHBondContact O-N 3.46Å |
| 77 | K | 75.2 | Confident | 76.9 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 39% | 0.391 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.1 | -34.9 | 174.9 | -73.5 | 168.4 | -172 | 162 | 0 | 112.7 | D65 N73 Y74 R75 L79 R80 | D65-K77 IonicContact OD1-NZ 2.93Å; D65-K77 PolarHBondContact OD1-NZ 2.8Å; N73-K77 WeakPolarHBondContact O-CG 3.32Å; N73-K77 PolarHBondContact O-N 3.13Å; Y74-K77 CarbonylContact O-C 3.51Å; Y74-K77 WeakPolarHBondContact O-CB 3.38Å; Y74-K77 PolarHBondContact O-N 3.11Å; Y74-K77 VanDerWaalsContact O-N 3.16Å; R75-K77 VanDerWaalsContact C-N 3.25Å; R75-K77 PolarHBondContact O-N 3.4Å; K77-L79 PolarHBondContact O-N 2.79Å; K77-R80 WeakPolarHBondContact O-CB 3.47Å; K77-R80 WeakPolarHBondContact O-CG 3.41Å; K77-R80 PolarHBondContact O-N 3.31Å; K77-R80 VanDerWaalsContact O-N 3.1Å |
| 78 | A | 75.8 | Confident | 76.9 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69 | -22.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y74 R75 R80 | Y74-A78 WeakPolarHBondContact O-CB 3.23Å; Y74-A78 PolarHBondContact O-N 3.45Å; R75-A78 WeakPolarHBondContact O-CB 3.46Å; R75-A78 PolarHBondContact O-N 3.45Å; A78-R80 PolarHBondContact O-N 2.88Å |
| 79 | L | 71.7 | Confident | 77 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 1.5 | 170.7 | -68.2 | 171.7 | 0 | 0 | 0 | 113.1 | R75 K77 G81 A82 W90 Q93 A94 | R75-L79 WeakPolarHBondContact O-CG 3.17Å; R75-L79 PolarHBondContact O-N 3.42Å; K77-L79 PolarHBondContact O-N 2.79Å; L79-G81 PolarHBondContact O-N 3.11Å; L79-A82 PolarHBondContact O-N 2.93Å; L79-W90 HydrophobicContact CB-CE3 3.76Å; L79-W90 HydrophobicContact CB-CZ3 3.6Å; L79-W90 HydrophobicContact CD1-CE3 4.1Å; L79-W90 HydrophobicContact CG-CE3 4.45Å; L79-W90 WeakPolarHBondContact O-CH2 3.43Å; L79-W90 WeakPolarHBondContact O-CZ3 3.45Å; L79-Q93 HydrophobicContact CD1-CB 3.86Å; L79-Q93 HydrophobicContact CD2-CB 4.22Å; L79-A94 HydrophobicContact CD1-CB 4Å |
| 80 | R | 64 | Low | 77 | Confident | 148 Ų | 148 | 61.3 Ų | 61.3 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 103.3 | 170.7 | -89.8 | -174.9 | -180 | -161.8 | 4.5 | 111 | K77 A78 | K77-R80 WeakPolarHBondContact O-CB 3.47Å; K77-R80 WeakPolarHBondContact O-CG 3.41Å; K77-R80 PolarHBondContact O-N 3.31Å; K77-R80 VanDerWaalsContact O-N 3.1Å; A78-R80 PolarHBondContact O-N 2.88Å |
| 81 | G | 61.7 | Low | 77 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 71% | 0.711 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 147.8 | -20.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L79 | L79-G81 PolarHBondContact O-N 3.11Š|
| 82 | A | 62.5 | Low | 77 | Confident | 37 Ų | 37 | 58 Ų | 58 | 31% | 0.306 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -71.4 | 149.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L79 W90 | L79-A82 PolarHBondContact O-N 2.93Å; A82-W90 HydrophobicContact CB-CH2 3.29Å; A82-W90 HydrophobicContact CB-CZ2 4.33Å; A82-W90 HydrophobicContact CB-CZ3 3.59Å |
| 83 | G | 69.8 | Low | 76.8 | Confident | 52 Ų | 52 | 62 Ų | 62 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | trans | -64.2 | -167.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q85 W90 | G83-Q85 PolarHBondContact O-N 3.27Å; G83-W90 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 84 | C | 75.6 | Confident | 76.2 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -62.5 | 122.1 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 85 | Q | 81.3 | Confident | 75.9 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.1 | 176.8 | -67.7 | -172.6 | -7 | 0 | 0 | 110.5 | S54 L55 G83 W90 | S54-Q85 WeakPolarHBondContact CA-O 3.44Å; L55-Q85 PolarHBondContact N-O 3.1Å; L55-Q85 PolarHBondContact O-N 3.19Å; G83-Q85 PolarHBondContact O-N 3.27Å; Q85-W90 HydrophobicContact CB-CD2 4.37Å; Q85-W90 HydrophobicContact CB-CZ2 4.22Å; Q85-W90 PolarHBondContact O-NE1 3.21Å |
| 86 | T | 84.2 | Confident | 75.8 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 149.7 | 177.6 | 78.4 | 0 | 0 | 0 | 0 | 110.6 | P51 L53 L88 S89 W90 | P51-T86 WeakPolarHBondContact O-CB 3.35Å; P51-T86 WeakPolarHBondContact O-CG2 3.37Å; L53-T86 CarbonylContact O-C 3.59Å; L53-T86 WeakPolarHBondContact O-CA 3.3Å; T86-L88 PolarHBondContact O-N 3.41Å; T86-S89 WeakPolarHBondContact O-CB 3.29Å; T86-S89 PolarHBondContact O-N 3.31Å; T86-S89 WeakPolarHBondContact OG1-CB 3.48Å; T86-S89 PolarHBondContact OG1-N 2.83Å; T86-S89 PolarHBondContact OG1-OG 3.15Å; T86-W90 VanDerWaalsContact O-CD1 3.23Å; T86-W90 PolarHBondContact O-N 3.19Å; T86-W90 VanDerWaalsContact O-N 3.15Å |
| 87 | L | 82.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52.1 | -46.3 | 177.1 | 177.6 | 63 | 0 | 0 | 0 | 110.6 | F30 V45 G50 L53 L55 L60 L63 L66 S89 W90 L91 | F30-L87 HydrophobicContact CB-CD2 4.4Å; F30-L87 HydrophobicContact CD1-CD2 4.25Å; F30-L87 HydrophobicContact CD2-CD2 3.66Å; F30-L87 HydrophobicContact CE1-CD2 4.41Å; F30-L87 HydrophobicContact CE2-CD2 3.89Å; F30-L87 HydrophobicContact CG-CD2 3.86Å; F30-L87 HydrophobicContact CZ-CD2 4.25Å; V45-L87 HydrophobicContact CG1-CD2 3.9Å; V45-L87 HydrophobicContact CG1-CG 4.27Å; G50-L87 PolarHBondContact O-N 2.9Å; L53-L87 HydrophobicContact CB-CB 4.36Å; L53-L87 HydrophobicContact CD2-CB 3.93Å; L53-L87 HydrophobicContact CD2-CD2 4.07Å; L53-L87 PolarHBondContact O-N 3.37Å; L55-L87 HydrophobicContact CD1-CB 3.97Å; L55-L87 HydrophobicContact CD1-CD1 3.74Å; L55-L87 HydrophobicContact CD1-CG 4.37Å; L60-L87 HydrophobicContact CD1-CD1 4.11Å; L63-L87 HydrophobicContact CD1-CD1 4.2Å; L66-L87 HydrophobicContact CD1-CD1 4.03Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.35Å; L87-W90 WeakPolarHBondContact O-CB 3.2Å; L87-W90 PolarHBondContact O-N 3Å; L87-L91 HydrophobicContact CD1-CD2 4.46Å; L87-L91 HydrophobicContact CD1-CG 4.45Å; L87-L91 HydrophobicContact CG-CD1 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 2.98Å; L87-L91 VanDerWaalsContact O-N 3.09Å |
| 88 | L | 84.1 | Confident | 75.8 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.8 | -172.1 | 78.8 | 0 | 0 | 0 | 112.4 | I42 Y46 P51 T86 W90 L91 L92 | I42-L88 HydrophobicContact CG2-CD1 4.11Å; Y46-L88 HydrophobicContact CD2-CD1 4.32Å; Y46-L88 HydrophobicContact CD2-CD2 3.47Å; Y46-L88 VanDerWaalsContact CD2-CD2 3.47Å; Y46-L88 HydrophobicContact CE2-CD2 3.98Å; P51-L88 HydrophobicContact CG-CB 4.4Å; P51-L88 HydrophobicContact CG-CD2 3.95Å; T86-L88 PolarHBondContact O-N 3.41Å; L88-W90 VanDerWaalsContact C-N 3.3Å; L88-W90 PolarHBondContact O-N 3Å; L88-L91 PolarHBondContact O-N 2.82Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L88-L92 HydrophobicContact CD2-CD1 4.26Å; L88-L92 HydrophobicContact CG-CD1 4.05Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 WeakPolarHBondContact O-CG 3.26Å; L88-L92 PolarHBondContact O-N 2.88Å |
| 89 | S | 83.5 | Confident | 75.8 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | T86 L87 L92 Q93 | T86-S89 WeakPolarHBondContact O-CB 3.29Å; T86-S89 PolarHBondContact O-N 3.31Å; T86-S89 WeakPolarHBondContact OG1-CB 3.48Å; T86-S89 PolarHBondContact OG1-N 2.83Å; T86-S89 PolarHBondContact OG1-OG 3.15Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 2.84Å; S89-Q93 WeakPolarHBondContact O-CG 3.49Å; S89-Q93 PolarHBondContact O-N 2.84Å |
| 90 | W | 83.1 | Confident | 76 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.4 | -69.5 | 117.3 | 0 | 0 | 0 | 112.2 | L55 L60 L79 A82 G83 Q85 T86 L87 L88 L92 Q93 A94 | L55-W90 PolarHBondContact O-NE1 3.03Å; L60-W90 HydrophobicContact CD1-CB 4.2Å; L60-W90 HydrophobicContact CD1-CG 4.17Å; L60-W90 HydrophobicContact CD2-CB 4.04Å; L60-W90 HydrophobicContact CD2-CD2 3.67Å; L60-W90 HydrophobicContact CD2-CE3 4.02Å; L60-W90 HydrophobicContact CD2-CG 3.73Å; L79-W90 HydrophobicContact CB-CE3 3.76Å; L79-W90 HydrophobicContact CB-CZ3 3.6Å; L79-W90 HydrophobicContact CD1-CE3 4.1Å; L79-W90 HydrophobicContact CG-CE3 4.45Å; L79-W90 WeakPolarHBondContact O-CH2 3.43Å; L79-W90 WeakPolarHBondContact O-CZ3 3.45Å; A82-W90 HydrophobicContact CB-CH2 3.29Å; A82-W90 HydrophobicContact CB-CZ2 4.33Å; A82-W90 HydrophobicContact CB-CZ3 3.59Å; G83-W90 WeakPolarHBondContact O-CZ2 3.36Å; Q85-W90 HydrophobicContact CB-CD2 4.37Å; Q85-W90 HydrophobicContact CB-CZ2 4.22Å; Q85-W90 PolarHBondContact O-NE1 3.21Å; T86-W90 VanDerWaalsContact O-CD1 3.23Å; T86-W90 PolarHBondContact O-N 3.19Å; T86-W90 VanDerWaalsContact O-N 3.15Å; L87-W90 WeakPolarHBondContact O-CB 3.2Å; L87-W90 PolarHBondContact O-N 3Å; L88-W90 VanDerWaalsContact C-N 3.3Å; L88-W90 PolarHBondContact O-N 3Å; W90-L92 VanDerWaalsContact C-N 3.3Å; W90-L92 PolarHBondContact O-N 2.82Å; W90-Q93 PolarHBondContact O-N 3.25Å; W90-A94 PolarHBondContact O-N 2.84Å |
| 91 | L | 81.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -29.4 | -179.4 | -58.7 | 179.6 | 0 | 0 | 0 | 113.3 | W41 V45 L66 F72 L87 L88 Q93 | W41-L91 HydrophobicContact CH2-CD1 3.44Å; W41-L91 VanDerWaalsContact CH2-CD1 3.44Å; W41-L91 HydrophobicContact CH2-CD2 3.45Å; W41-L91 VanDerWaalsContact CH2-CD2 3.45Å; W41-L91 HydrophobicContact CH2-CG 4.04Å; W41-L91 HydrophobicContact CZ2-CD1 4.29Å; W41-L91 HydrophobicContact CZ3-CD1 3.62Å; W41-L91 HydrophobicContact CZ3-CD2 3.81Å; W41-L91 HydrophobicContact CZ3-CG 4.18Å; V45-L91 HydrophobicContact CB-CD1 4.17Å; V45-L91 HydrophobicContact CG1-CD1 3.72Å; V45-L91 HydrophobicContact CG2-CD1 4.08Å; L66-L91 HydrophobicContact CD1-CD2 4.36Å; F72-L91 HydrophobicContact CE1-CD2 3.83Å; F72-L91 HydrophobicContact CZ-CB 4.31Å; F72-L91 HydrophobicContact CZ-CD2 3.6Å; L87-L91 HydrophobicContact CD1-CD2 4.46Å; L87-L91 HydrophobicContact CD1-CG 4.45Å; L87-L91 HydrophobicContact CG-CD1 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 2.98Å; L87-L91 VanDerWaalsContact O-N 3.09Å; L88-L91 PolarHBondContact O-N 2.82Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L91-Q93 VanDerWaalsContact C-N 3.34Å |
| 92 | L | 80.7 | Confident | 78.1 | Confident | 119 Ų | 119 | 45.9 Ų | 45.9 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.9 | -16.4 | 177 | -69.3 | 172.6 | 0 | 0 | 0 | 113.1 | L88 S89 W90 | L88-L92 HydrophobicContact CD2-CD1 4.26Å; L88-L92 HydrophobicContact CG-CD1 4.05Å; L88-L92 HydrophobicContact CG-CG 4.39Å; L88-L92 WeakPolarHBondContact O-CG 3.26Å; L88-L92 PolarHBondContact O-N 2.88Å; S89-L92 PolarHBondContact O-N 2.84Å; W90-L92 VanDerWaalsContact C-N 3.3Å; W90-L92 PolarHBondContact O-N 2.82Å |
| 93 | Q | 76.2 | Confident | 79.4 | Confident | 102 Ų | 102 | 46.7 Ų | 46.7 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -94.9 | -19.1 | 178.5 | -73.6 | 177.1 | -4.1 | 0 | 0 | 113.6 | L79 S89 W90 L91 | L79-Q93 HydrophobicContact CD1-CB 3.86Å; L79-Q93 HydrophobicContact CD2-CB 4.22Å; S89-Q93 WeakPolarHBondContact O-CG 3.49Å; S89-Q93 PolarHBondContact O-N 2.84Å; W90-Q93 PolarHBondContact O-N 3.25Å; L91-Q93 VanDerWaalsContact C-N 3.34Å |
| 94 | A | 69.8 | Low | 80.2 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 28% | 0.281 | 27% | 0.266 | S | S | . | . | trans | -79.5 | 0 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F72 R75 L79 W90 | F72-A94 HydrophobicContact CD2-CB 4.29Å; F72-A94 HydrophobicContact CE2-CB 3.87Å; F72-A94 HydrophobicContact CZ-CB 4.27Å; R75-A94 HydrophobicContact CB-CB 3.93Å; R75-A94 WeakPolarHBondContact CD-O 3.33Å; R75-A94 PolarHBondContact NH1-O 3.18Å; L79-A94 HydrophobicContact CD1-CB 4Å; W90-A94 PolarHBondContact O-N 2.84Å |
Retrieved 94 of 94 residues in 19.7 ms
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