| 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 | 43.8 | Very low | 52.2 | Low | 198 Ų | 198 | 102.2 Ų | 102.2 | 98% | 0.975 | 55% | 0.55 | S | S | * | . | 0 | 115.4 | 0 | -76.3 | -155.7 | -85.5 | 0 | 0 | 106.4 | |||||
| 2 | S | 49 | Very low | 52 | Low | 83 Ų | 83 | 112 Ų | 112 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | trans | -74.2 | 129.4 | -178.3 | 69.6 | 0 | 0 | 0 | 0 | 109.6 | S4 | S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 PolarHBondContact OG-OG 3.19Å | ||
| 3 | D | 52.3 | Low | 52.5 | Low | 89 Ų | 89 | 107.1 Ų | 107.1 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -67 | -4.1 | 177 | -70.2 | -28.8 | 0 | 0 | 0 | 112 | K5 Y6 F7 | D3-K5 PolarHBondContact O-N 2.94Å; D3-K5 VanDerWaalsContact O-N 3.17Å; D3-Y6 HydrophobicContact CB-CD2 3.92Å; D3-Y6 HydrophobicContact CB-CE2 4.16Å; D3-Y6 WeakPolarHBondContact O-CB 3.19Å; D3-Y6 WeakPolarHBondContact O-CD2 3.42Å; D3-Y6 PolarHBondContact O-N 3.19Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.47Å; D3-F7 WeakPolarHBondContact O-CD2 3.44Å |
| 4 | S | 56 | Low | 53.5 | Low | 73 Ų | 73 | 101.7 Ų | 101.7 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -54.2 | -33.6 | 176.6 | -42.5 | 0 | 0 | 0 | 0 | 113.2 | S2 Y6 F7 | S2-S4 PolarHBondContact O-N 3.27Å; S2-S4 PolarHBondContact OG-OG 3.19Å; S4-Y6 PolarHBondContact O-N 2.88Å; S4-Y6 VanDerWaalsContact O-N 3.11Å; S4-F7 PolarHBondContact O-N 2.64Å; S4-F7 VanDerWaalsContact O-N 3.07Å |
| 5 | K | 58.7 | Low | 54.7 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -60.2 | -21.7 | 178.5 | 69.1 | 176.9 | -176.2 | 170.5 | 0 | 113.6 | D3 F7 T8 E32 | D3-K5 PolarHBondContact O-N 2.94Å; D3-K5 VanDerWaalsContact O-N 3.17Å; K5-F7 VanDerWaalsContact C-N 3.32Å; K5-T8 PolarHBondContact O-OG1 3.01Å; K5-E32 IonicContact NZ-OE2 3.86Å; K5-E32 PolarHBondContact NZ-OE2 3.26Å; K5-E32 VanDerWaalsContact NZ-OE2 3.08Å |
| 6 | Y | 53.3 | Low | 56 | Low | 22 Ų | 22 | 104.1 Ų | 104.1 | 9% | 0.086 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -80.8 | -13.9 | 179.8 | -56.6 | -61.3 | 0 | 0 | 0 | 113.3 | D3 S4 E32 K35 K36 A39 | D3-Y6 HydrophobicContact CB-CD2 3.92Å; D3-Y6 HydrophobicContact CB-CE2 4.16Å; D3-Y6 WeakPolarHBondContact O-CB 3.19Å; D3-Y6 WeakPolarHBondContact O-CD2 3.42Å; D3-Y6 PolarHBondContact O-N 3.19Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.47Å; S4-Y6 PolarHBondContact O-N 2.88Å; S4-Y6 VanDerWaalsContact O-N 3.11Å; Y6-E32 PolarHBondContact OH-OE1 3.13Å; Y6-E32 PolarHBondContact OH-OE2 3.27Å; Y6-K35 HydrophobicContact CE1-CB 4.35Å; Y6-K35 HydrophobicContact CE2-CB 4.22Å; Y6-K35 HydrophobicContact CE2-CD 4.23Å; Y6-K36 HydrophobicContact CD1-CB 4.47Å; Y6-K36 HydrophobicContact CD1-CG 3.52Å; Y6-K36 HydrophobicContact CE1-CG 3.92Å; Y6-A39 VanDerWaalsContact CB-CB 3.48Å |
| 7 | F | 57.4 | Low | 57.3 | Low | 102 Ų | 102 | 104.9 Ų | 104.9 | 45% | 0.447 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -10.9 | -175.9 | -65.4 | -86.5 | 0 | 0 | 0 | 113.8 | D3 S4 K5 A39 T42 V43 | D3-F7 WeakPolarHBondContact O-CD2 3.44Å; S4-F7 PolarHBondContact O-N 2.64Å; S4-F7 VanDerWaalsContact O-N 3.07Å; K5-F7 VanDerWaalsContact C-N 3.32Å; F7-A39 HydrophobicContact CD1-CB 4.33Å; F7-A39 HydrophobicContact CE1-CB 4.07Å; F7-A39 HydrophobicContact CE2-CB 4.37Å; F7-A39 HydrophobicContact CZ-CB 4.09Å; F7-T42 HydrophobicContact CE1-CG2 4.26Å; F7-V43 HydrophobicContact CD1-CG2 3.61Å; F7-V43 HydrophobicContact CE1-CG2 4.23Å |
| 8 | T | 54.4 | Low | 58.6 | Low | 108 Ų | 108 | 99.6 Ų | 99.6 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -94 | -2.9 | -167.9 | 50 | 0 | 0 | 0 | 0 | 115.9 | K5 | K5-T8 PolarHBondContact O-OG1 3.01Š|
| 9 | T | 50.2 | Low | 59.7 | Low | 63 Ų | 63 | 99.3 Ų | 99.3 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | trans | -104.5 | 127.6 | -174.4 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | E14 K45 | T9-E14 VanDerWaalsContact CB-OE1 3.24Å; T9-E14 WeakPolarHBondContact CB-OE1 3.37Å; T9-E14 PolarHBondContact OG1-OE1 3.33Å; T9-K45 PolarHBondContact O-NZ 3.36Å | ||
| 10 | T | 47.6 | Very low | 60.8 | Low | 137 Ų | 137 | 98.2 Ų | 98.2 | 84% | 0.84 | 52% | 0.516 | S | S | * | . | trans | -116.2 | 42.2 | 177.1 | 36.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | K | 51.7 | Low | 61.9 | Low | 157 Ų | 157 | 96 Ų | 96 | 68% | 0.683 | 50% | 0.503 | S | S | * | . | trans | -88.8 | 129.8 | -179.1 | -73.2 | -173.3 | 179.8 | 177.1 | 0 | 112.5 | G13 | K11-G13 PolarHBondContact O-N 3.38Š| ||
| 12 | K | 49.8 | Very low | 63.7 | Low | 220 Ų | 220 | 86.6 Ų | 86.6 | 96% | 0.957 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 125.7 | 165.7 | -75.7 | -178.4 | 175.2 | 178.5 | 0 | 109.2 | ||
| 13 | G | 58.6 | Low | 65.3 | Low | 48 Ų | 48 | 86 Ų | 86 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.9 | -8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K11 I15 F16 E17 | K11-G13 PolarHBondContact O-N 3.38Å; G13-I15 VanDerWaalsContact C-N 3.31Å; G13-I15 PolarHBondContact O-N 3.11Å; G13-F16 PolarHBondContact O-N 2.9Å; G13-F16 VanDerWaalsContact O-N 3.13Å; G13-E17 PolarHBondContact O-N 3.29Å |
| 14 | E | 67 | Low | 66.6 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 15% | 0.15 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -52.6 | -40.1 | -177.3 | -87.8 | 177.3 | 165.5 | 0 | 0 | 114 | T9 F16 E17 L18 K45 | T9-E14 VanDerWaalsContact CB-OE1 3.24Å; T9-E14 WeakPolarHBondContact CB-OE1 3.37Å; T9-E14 PolarHBondContact OG1-OE1 3.33Å; E14-F16 VanDerWaalsContact C-N 3.29Å; E14-F16 PolarHBondContact O-N 3.17Å; E14-E17 PolarHBondContact O-N 2.76Å; E14-L18 WeakPolarHBondContact O-CB 3.48Å; E14-L18 WeakPolarHBondContact O-CG 3.28Å; E14-L18 PolarHBondContact O-N 3.36Å; E14-K45 IonicContact OE1-NZ 3.71Å; E14-K45 IonicContact OE2-NZ 2.6Å; E14-K45 PolarHBondContact OE2-NZ 3.22Å |
| 15 | I | 70.2 | Confident | 67.6 | Low | 79 Ų | 79 | 87.2 Ų | 87.2 | 41% | 0.405 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | -177.5 | -61.9 | 179.4 | 0 | 0 | 0 | 111.3 | G13 K19 A49 L50 | G13-I15 VanDerWaalsContact C-N 3.31Å; G13-I15 PolarHBondContact O-N 3.11Å; I15-K19 WeakPolarHBondContact O-CB 3.46Å; I15-K19 PolarHBondContact O-N 3.16Å; I15-A49 HydrophobicContact CG2-CB 4.49Å; I15-L50 HydrophobicContact CG2-CD2 3.83Å; I15-L50 HydrophobicContact CG2-CG 4.09Å |
| 16 | F | 75.4 | Confident | 68.6 | Low | 163 Ų | 163 | 91 Ų | 91 | 72% | 0.715 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.4 | -41 | 178.9 | -176.5 | -95.7 | 0 | 0 | 0 | 111.6 | G13 E14 K19 S20 | G13-F16 PolarHBondContact O-N 2.9Å; G13-F16 VanDerWaalsContact O-N 3.13Å; E14-F16 VanDerWaalsContact C-N 3.29Å; E14-F16 PolarHBondContact O-N 3.17Å; F16-K19 PolarHBondContact O-N 3.39Å; F16-S20 PolarHBondContact O-N 2.9Å |
| 17 | E | 78.9 | Confident | 69.7 | Low | 118 Ų | 118 | 95.9 Ų | 95.9 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -47 | 174.9 | -67.1 | -177.7 | -178.4 | 0 | 0 | 111 | G13 E14 K19 S20 E21 | G13-E17 PolarHBondContact O-N 3.29Å; E14-E17 PolarHBondContact O-N 2.76Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.11Å; E17-S20 WeakPolarHBondContact O-CB 2.79Å; E17-S20 PolarHBondContact O-N 3.33Å; E17-S20 VanDerWaalsContact O-N 3.11Å; E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.03Å |
| 18 | L | 80.4 | Confident | 70.8 | Confident | 9 Ų | 9 | 96.4 Ų | 96.4 | 5% | 0.047 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.1 | -69.7 | 172.2 | 0 | 0 | 0 | 111.4 | E14 S20 E21 L22 K36 V37 L50 | E14-L18 WeakPolarHBondContact O-CB 3.48Å; E14-L18 WeakPolarHBondContact O-CG 3.28Å; E14-L18 PolarHBondContact O-N 3.36Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.05Å; L18-E21 PolarHBondContact O-N 3.2Å; L18-E21 VanDerWaalsContact O-N 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 WeakPolarHBondContact O-CG 3.22Å; L18-L22 PolarHBondContact O-N 3.11Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.7Å; L18-K36 HydrophobicContact CD2-CG 4.29Å; L18-V37 HydrophobicContact CB-CG2 4.37Å; L18-V37 HydrophobicContact CD1-CG2 4.03Å; L18-V37 HydrophobicContact CD2-CG2 4.29Å; L18-V37 HydrophobicContact CG-CG2 4.47Å; L18-L50 HydrophobicContact CB-CD1 3.81Å; L18-L50 HydrophobicContact CD1-CD1 4.1Å |
| 19 | K | 80.1 | Confident | 72.1 | Confident | 93 Ų | 93 | 96.3 Ų | 96.3 | 40% | 0.404 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 174.8 | -173.5 | 164.2 | -175.4 | 158 | 0 | 112.2 | I15 F16 E17 N23 L50 D53 | I15-K19 WeakPolarHBondContact O-CB 3.46Å; I15-K19 PolarHBondContact O-N 3.16Å; F16-K19 PolarHBondContact O-N 3.39Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.11Å; K19-N23 PolarHBondContact O-N 2.9Å; K19-N23 PolarHBondContact O-ND2 3.28Å; K19-L50 HydrophobicContact CB-CD2 3.72Å; K19-L50 HydrophobicContact CG-CD2 4.39Å; K19-D53 WeakPolarHBondContact CE-OD1 3.33Å; K19-D53 WeakPolarHBondContact CE-OD2 3.36Å; K19-D53 IonicContact NZ-OD2 3.51Å |
| 20 | S | 82 | Confident | 73.6 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | F16 E17 L18 S24 | F16-S20 PolarHBondContact O-N 2.9Å; E17-S20 WeakPolarHBondContact O-CB 2.79Å; E17-S20 PolarHBondContact O-N 3.33Å; E17-S20 VanDerWaalsContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 3.05Å; S20-S24 PolarHBondContact O-N 2.99Å |
| 21 | E | 83.1 | Confident | 75.2 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 178.8 | -67.6 | -176.9 | 175.8 | 0 | 0 | 112.3 | E17 L18 N23 S24 A33 K36 | E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.03Å; L18-E21 PolarHBondContact O-N 3.2Å; L18-E21 VanDerWaalsContact O-N 3.15Å; E21-N23 VanDerWaalsContact C-N 3.3Å; E21-N23 PolarHBondContact O-N 3.04Å; E21-S24 WeakPolarHBondContact O-CB 3.2Å; E21-S24 PolarHBondContact O-N 3.44Å; E21-A33 HydrophobicContact CB-CB 3.56Å; E21-K36 VanDerWaalsContact CD-NZ 3.28Å; E21-K36 IonicContact OE1-NZ 3.53Å; E21-K36 PolarHBondContact OE1-NZ 3.24Å; E21-K36 IonicContact OE2-NZ 3.63Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å |
| 22 | L | 81.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 175 | -72.5 | 169.8 | 0 | 0 | 0 | 112.1 | L18 S24 K30 A33 V34 V37 L50 D53 V54 | L18-L22 WeakPolarHBondContact O-CB 3.22Å; L18-L22 WeakPolarHBondContact O-CG 3.22Å; L18-L22 PolarHBondContact O-N 3.11Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-K30 WeakPolarHBondContact O-CD 3.47Å; L22-K30 WeakPolarHBondContact O-CE 3.4Å; L22-K30 WeakPolarHBondContact O-CG 3.21Å; L22-A33 HydrophobicContact CD2-CB 3.81Å; L22-A33 HydrophobicContact CG-CB 3.98Å; L22-V34 HydrophobicContact CD2-CB 4.47Å; L22-V34 HydrophobicContact CD2-CG2 3.45Å; L22-V34 VanDerWaalsContact CD2-CG2 3.45Å; L22-V37 HydrophobicContact CD1-CG2 4.27Å; L22-L50 HydrophobicContact CD1-CB 4.12Å; L22-L50 HydrophobicContact CD1-CD1 4.24Å; L22-L50 HydrophobicContact CD1-CD2 4.23Å; L22-L50 HydrophobicContact CD1-CG 4.44Å; L22-D53 HydrophobicContact CB-CB 4.2Å; L22-D53 HydrophobicContact CD1-CB 3.93Å; L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.27Å |
| 23 | N | 82 | Confident | 78.4 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.4 | 177.1 | -71 | -57.6 | 0 | 0 | 0 | 113.9 | K19 E21 D53 | K19-N23 PolarHBondContact O-N 2.9Å; K19-N23 PolarHBondContact O-ND2 3.28Å; E21-N23 VanDerWaalsContact C-N 3.3Å; E21-N23 PolarHBondContact O-N 3.04Å; N23-D53 PolarHBondContact ND2-OD1 3.13Å |
| 24 | S | 80.5 | Confident | 79.6 | Confident | 24 Ų | 24 | 72.1 Ų | 72.1 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | trans | -66.3 | 139.7 | 176.9 | 159.9 | 0 | 0 | 0 | 0 | 111.9 | S20 E21 L22 R26 K29 K30 | S20-S24 PolarHBondContact O-N 2.99Å; E21-S24 WeakPolarHBondContact O-CB 3.2Å; E21-S24 PolarHBondContact O-N 3.44Å; L22-S24 VanDerWaalsContact C-N 3.34Å; S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 VanDerWaalsContact O-N 3.17Å; S24-R26 PolarHBondContact OG-N 3.45Å; S24-R26 VanDerWaalsContact OG-N 3.16Å; S24-K29 WeakPolarHBondContact OG-CD 3.33Å; S24-K30 WeakPolarHBondContact O-CE 3.33Å; S24-K30 WeakPolarHBondContact O-CG 3.4Å | ||
| 25 | D | 76.7 | Confident | 80.5 | Confident | 164 Ų | 164 | 72.4 Ų | 72.4 | 88% | 0.877 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -62.7 | -24.5 | 175.5 | -58 | -46.9 | 0 | 0 | 0 | 113.7 | K27 | D25-K27 PolarHBondContact O-N 3.26Š|
| 26 | R | 80 | Confident | 81.2 | Confident | 172 Ų | 172 | 71.8 Ų | 71.8 | 65% | 0.649 | 34% | 0.337 | S | S | * | . | trans | -77.1 | 116.2 | 179.9 | -62 | -173.8 | -176.2 | -178.2 | 1 | 111.5 | S24 E28 K29 K30 | S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 VanDerWaalsContact O-N 3.17Å; S24-R26 PolarHBondContact OG-N 3.45Å; S24-R26 VanDerWaalsContact OG-N 3.16Å; R26-E28 VanDerWaalsContact C-N 3.31Å; R26-E28 PolarHBondContact O-N 3.38Å; R26-K29 HydrophobicContact CB-CB 4.16Å; R26-K29 HydrophobicContact CB-CD 4.33Å; R26-K29 HydrophobicContact CB-CG 4.09Å; R26-K29 PolarHBondContact O-N 3.41Å; R26-K30 PolarHBondContact O-N 2.97Å; R26-K30 VanDerWaalsContact O-N 3.15Å | ||
| 27 | K | 76.1 | Confident | 81.6 | Confident | 124 Ų | 124 | 64 Ų | 64 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.6 | -42.6 | 177 | -66 | -174.5 | 178.6 | -175.7 | 0 | 113.4 | D25 K29 K30 K31 | D25-K27 PolarHBondContact O-N 3.26Å; K27-K29 PolarHBondContact O-N 3.04Å; K27-K30 PolarHBondContact O-N 3.3Å; K27-K31 PolarHBondContact O-N 2.97Å |
| 28 | E | 80.1 | Confident | 81.8 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.4 | -67.5 | -52.8 | 130.5 | 0 | 0 | 112.8 | R26 K31 E32 | R26-E28 VanDerWaalsContact C-N 3.31Å; R26-E28 PolarHBondContact O-N 3.38Å; E28-K31 PolarHBondContact O-N 3.03Å; E28-K31 IonicContact OE2-NZ 2.75Å; E28-E32 WeakPolarHBondContact O-CG 3.47Å; E28-E32 PolarHBondContact O-N 2.64Å |
| 29 | K | 81.9 | Confident | 81.8 | Confident | 105 Ų | 105 | 59 Ų | 59 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.1 | -74.3 | -169.5 | 171.6 | -171 | 0 | 111.4 | S24 R26 K27 K31 E32 A33 | S24-K29 WeakPolarHBondContact OG-CD 3.33Å; R26-K29 HydrophobicContact CB-CB 4.16Å; R26-K29 HydrophobicContact CB-CD 4.33Å; R26-K29 HydrophobicContact CB-CG 4.09Å; R26-K29 PolarHBondContact O-N 3.41Å; K27-K29 PolarHBondContact O-N 3.04Å; K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 2.85Å; K29-E32 PolarHBondContact O-N 3.21Å; K29-A33 VanDerWaalsContact O-CB 3.29Å; K29-A33 WeakPolarHBondContact O-CB 3.21Å; K29-A33 PolarHBondContact O-N 3.15Å |
| 30 | K | 82.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174 | -63.2 | -165.3 | 175.1 | -159.9 | 0 | 111.2 | L22 S24 R26 K27 A33 V34 L65 | L22-K30 WeakPolarHBondContact O-CD 3.47Å; L22-K30 WeakPolarHBondContact O-CE 3.4Å; L22-K30 WeakPolarHBondContact O-CG 3.21Å; S24-K30 WeakPolarHBondContact O-CE 3.33Å; S24-K30 WeakPolarHBondContact O-CG 3.4Å; R26-K30 PolarHBondContact O-N 2.97Å; R26-K30 VanDerWaalsContact O-N 3.15Å; K27-K30 PolarHBondContact O-N 3.3Å; K30-A33 WeakPolarHBondContact O-CB 3.29Å; K30-A33 PolarHBondContact O-N 3.34Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.37Å; K30-L65 HydrophobicContact CB-CD2 4.32Å |
| 31 | K | 80.5 | Confident | 81.7 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 13% | 0.13 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 176.9 | 176 | 179.6 | 138.1 | 177.7 | 0 | 112.4 | K27 E28 K29 A33 V34 K35 E64 L65 | K27-K31 PolarHBondContact O-N 2.97Å; E28-K31 PolarHBondContact O-N 3.03Å; E28-K31 IonicContact OE2-NZ 2.75Å; K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 2.85Å; K31-A33 VanDerWaalsContact C-N 3.27Å; K31-A33 PolarHBondContact O-N 3.41Å; K31-V34 PolarHBondContact O-N 2.72Å; K31-K35 WeakPolarHBondContact O-CG 3.39Å; K31-K35 PolarHBondContact O-N 3.09Å; K31-E64 VanDerWaalsContact CE-CD 3.42Å; K31-E64 WeakPolarHBondContact CE-OE1 3.26Å; K31-E64 VanDerWaalsContact CE-OE2 3.23Å; K31-E64 WeakPolarHBondContact CE-OE2 3.46Å; K31-E64 IonicContact NZ-OE1 2.78Å; K31-E64 PolarHBondContact NZ-OE1 3.25Å; K31-E64 IonicContact NZ-OE2 3.99Å; K31-E64 PolarHBondContact NZ-OE2 3.37Å; K31-L65 HydrophobicContact CB-CD1 4.43Å |
| 32 | E | 83.4 | Confident | 81.6 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 176.4 | -65.7 | -71.8 | 106.3 | 0 | 0 | 111.5 | K5 Y6 E28 K29 K35 K36 | K5-E32 IonicContact NZ-OE2 3.86Å; K5-E32 PolarHBondContact NZ-OE2 3.26Å; K5-E32 VanDerWaalsContact NZ-OE2 3.08Å; Y6-E32 PolarHBondContact OH-OE1 3.13Å; Y6-E32 PolarHBondContact OH-OE2 3.27Å; E28-E32 WeakPolarHBondContact O-CG 3.47Å; E28-E32 PolarHBondContact O-N 2.64Å; K29-E32 PolarHBondContact O-N 3.21Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.38Å |
| 33 | A | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E21 L22 K29 K30 K31 K35 K36 V37 | E21-A33 HydrophobicContact CB-CB 3.56Å; L22-A33 HydrophobicContact CD2-CB 3.81Å; L22-A33 HydrophobicContact CG-CB 3.98Å; K29-A33 VanDerWaalsContact O-CB 3.29Å; K29-A33 WeakPolarHBondContact O-CB 3.21Å; K29-A33 PolarHBondContact O-N 3.15Å; K30-A33 WeakPolarHBondContact O-CB 3.29Å; K30-A33 PolarHBondContact O-N 3.34Å; K31-A33 VanDerWaalsContact C-N 3.27Å; K31-A33 PolarHBondContact O-N 3.41Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.28Å; A33-K36 WeakPolarHBondContact O-CB 3.38Å; A33-K36 PolarHBondContact O-N 3.01Å; A33-V37 VanDerWaalsContact O-CG2 3.29Å; A33-V37 WeakPolarHBondContact O-CG2 3.46Å; A33-V37 PolarHBondContact O-N 3.44Å |
| 34 | V | 84.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | L22 K30 K31 K36 V37 I38 L65 L68 V69 | L22-V34 HydrophobicContact CD2-CB 4.47Å; L22-V34 HydrophobicContact CD2-CG2 3.45Å; L22-V34 VanDerWaalsContact CD2-CG2 3.45Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.37Å; K31-V34 PolarHBondContact O-N 2.72Å; V34-K36 PolarHBondContact O-N 3.43Å; V34-V37 WeakPolarHBondContact O-CB 3.28Å; V34-V37 PolarHBondContact O-N 3.18Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CG1 4.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.44Å; V34-L65 HydrophobicContact CB-CD1 4.16Å; V34-L65 HydrophobicContact CG2-CD1 3.74Å; V34-L68 HydrophobicContact CB-CB 4.44Å; V34-L68 HydrophobicContact CG1-CB 3.55Å; V34-L68 HydrophobicContact CG1-CD1 4.49Å; V34-V69 HydrophobicContact CG1-CG2 4.49Å; V34-V69 HydrophobicContact CG2-CG2 4.39Å |
| 35 | K | 86 | Confident | 81.1 | Confident | 38 Ų | 38 | 59 Ų | 59 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.6 | -72.9 | -174.9 | -179.6 | -169.3 | 0 | 112.4 | Y6 K31 E32 A33 V37 I38 A39 E64 L68 | Y6-K35 HydrophobicContact CE1-CB 4.35Å; Y6-K35 HydrophobicContact CE2-CB 4.22Å; Y6-K35 HydrophobicContact CE2-CD 4.23Å; K31-K35 WeakPolarHBondContact O-CG 3.39Å; K31-K35 PolarHBondContact O-N 3.09Å; E32-K35 PolarHBondContact O-N 3.27Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.28Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 3.03Å; K35-I38 PolarHBondContact O-N 3.5Å; K35-A39 WeakPolarHBondContact O-CB 3.36Å; K35-A39 PolarHBondContact O-N 2.83Å; K35-E64 WeakPolarHBondContact CE-OE1 3.02Å; K35-E64 IonicContact NZ-OE1 2.73Å; K35-E64 PolarHBondContact NZ-OE1 2.88Å; K35-L68 HydrophobicContact CG-CD1 3.66Å; K35-L68 HydrophobicContact CG-CD2 4.48Å |
| 36 | K | 84.2 | Confident | 81.2 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.2 | -70.4 | 170.3 | -175.9 | 177.6 | 0 | 112.5 | Y6 L18 E21 E32 A33 V34 A39 S40 | Y6-K36 HydrophobicContact CD1-CB 4.47Å; Y6-K36 HydrophobicContact CD1-CG 3.52Å; Y6-K36 HydrophobicContact CE1-CG 3.92Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.7Å; L18-K36 HydrophobicContact CD2-CG 4.29Å; E21-K36 VanDerWaalsContact CD-NZ 3.28Å; E21-K36 IonicContact OE1-NZ 3.53Å; E21-K36 PolarHBondContact OE1-NZ 3.24Å; E21-K36 IonicContact OE2-NZ 3.63Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.38Å; A33-K36 WeakPolarHBondContact O-CB 3.38Å; A33-K36 PolarHBondContact O-N 3.01Å; V34-K36 PolarHBondContact O-N 3.43Å; K36-A39 PolarHBondContact O-N 3.33Å; K36-S40 WeakPolarHBondContact O-CB 3.5Å; K36-S40 PolarHBondContact O-N 2.82Å; K36-S40 PolarHBondContact O-OG 3.36Å |
| 37 | V | 84.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L18 L22 A33 V34 K35 S40 M41 V47 L50 V54 Y72 | L18-V37 HydrophobicContact CB-CG2 4.37Å; L18-V37 HydrophobicContact CD1-CG2 4.03Å; L18-V37 HydrophobicContact CD2-CG2 4.29Å; L18-V37 HydrophobicContact CG-CG2 4.47Å; L22-V37 HydrophobicContact CD1-CG2 4.27Å; A33-V37 VanDerWaalsContact O-CG2 3.29Å; A33-V37 WeakPolarHBondContact O-CG2 3.46Å; A33-V37 PolarHBondContact O-N 3.44Å; V34-V37 WeakPolarHBondContact O-CB 3.28Å; V34-V37 PolarHBondContact O-N 3.18Å; V34-V37 VanDerWaalsContact O-N 3.16Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 3.03Å; V37-S40 PolarHBondContact O-N 3.1Å; V37-M41 WeakPolarHBondContact O-CB 3.37Å; V37-M41 PolarHBondContact O-N 3.27Å; V37-V47 HydrophobicContact CG1-CB 4.11Å; V37-V47 HydrophobicContact CG1-CG2 3.79Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.62Å; V37-V54 HydrophobicContact CG1-CG2 4.38Å; V37-Y72 HydrophobicContact CG1-CD2 3.68Å; V37-Y72 HydrophobicContact CG1-CE2 3.54Å |
| 38 | I | 82.7 | Confident | 81.1 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.5 | -66 | -63.3 | 0 | 0 | 0 | 110.9 | V34 K35 S40 M41 T42 L68 L71 Y72 | V34-I38 HydrophobicContact CG1-CG1 4.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.44Å; K35-I38 PolarHBondContact O-N 3.5Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 3.14Å; I38-M41 HydrophobicContact CD1-CE 3.75Å; I38-M41 HydrophobicContact CD1-SD 4.4Å; I38-M41 HydrophobicContact CG2-CE 4.48Å; I38-M41 WeakPolarHBondContact O-CB 3.47Å; I38-M41 PolarHBondContact O-N 3.34Å; I38-T42 PolarHBondContact O-N 3.39Å; I38-T42 PolarHBondContact O-OG1 3.29Å; I38-L68 HydrophobicContact CG1-CD2 4.46Å; I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.19Å; I38-L71 HydrophobicContact CD1-CG 4.18Å; I38-L71 HydrophobicContact CG2-CD2 4Å; I38-Y72 HydrophobicContact CD1-CD2 4.46Å |
| 39 | A | 80.3 | Confident | 81.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y6 F7 K35 K36 M41 T42 V43 | Y6-A39 VanDerWaalsContact CB-CB 3.48Å; F7-A39 HydrophobicContact CD1-CB 4.33Å; F7-A39 HydrophobicContact CE1-CB 4.07Å; F7-A39 HydrophobicContact CE2-CB 4.37Å; F7-A39 HydrophobicContact CZ-CB 4.09Å; K35-A39 WeakPolarHBondContact O-CB 3.36Å; K35-A39 PolarHBondContact O-N 2.83Å; K36-A39 PolarHBondContact O-N 3.33Å; A39-M41 VanDerWaalsContact C-N 3.3Å; A39-M41 PolarHBondContact O-N 3.2Å; A39-T42 PolarHBondContact O-N 2.79Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.26Å; A39-V43 PolarHBondContact O-N 3.28Å |
| 40 | S | 80.3 | Confident | 81.1 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.3 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | K36 V37 I38 V43 G44 K45 | K36-S40 WeakPolarHBondContact O-CB 3.5Å; K36-S40 PolarHBondContact O-N 2.82Å; K36-S40 PolarHBondContact O-OG 3.36Å; V37-S40 PolarHBondContact O-N 3.1Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 3.14Å; S40-V43 PolarHBondContact O-N 2.85Å; S40-G44 PolarHBondContact O-N 3.07Å; S40-K45 WeakPolarHBondContact O-CB 3.13Å; S40-K45 PolarHBondContact O-N 2.86Å |
| 41 | M | 81.1 | Confident | 80.9 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.9 | -176.2 | -176.2 | 81 | 0 | 0 | 111.8 | V37 I38 A39 V43 G44 V47 Y72 N75 Y76 | V37-M41 WeakPolarHBondContact O-CB 3.37Å; V37-M41 PolarHBondContact O-N 3.27Å; I38-M41 HydrophobicContact CD1-CE 3.75Å; I38-M41 HydrophobicContact CD1-SD 4.4Å; I38-M41 HydrophobicContact CG2-CE 4.48Å; I38-M41 WeakPolarHBondContact O-CB 3.47Å; I38-M41 PolarHBondContact O-N 3.34Å; A39-M41 VanDerWaalsContact C-N 3.3Å; A39-M41 PolarHBondContact O-N 3.2Å; M41-V43 VanDerWaalsContact C-N 3.29Å; M41-V43 PolarHBondContact O-N 3.32Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.49Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; M41-Y72 HydrophobicContact SD-CD2 4.27Å; M41-N75 HydrophobicContact CE-CB 4.12Å; M41-N75 VanDerWaalsContact CG-ND2 3.28Å; M41-N75 WeakPolarHBondContact CG-ND2 3.44Å; M41-N75 HydrophobicContact SD-CB 3.8Å; M41-N75 PolarHBondContact SD-ND2 3.38Å; M41-Y76 HydrophobicContact CG-CE2 3.99Å; M41-Y76 HydrophobicContact SD-CD2 4.1Å; M41-Y76 HydrophobicContact SD-CE2 3.52Å; M41-Y76 VanDerWaalsContact SD-CE2 3.52Å |
| 42 | T | 79.8 | Confident | 80.8 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.8 | -31.5 | 177 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | F7 I38 A39 G44 Q622 | F7-T42 HydrophobicContact CE1-CG2 4.26Å; I38-T42 PolarHBondContact O-N 3.39Å; I38-T42 PolarHBondContact O-OG1 3.29Å; A39-T42 PolarHBondContact O-N 2.79Å; T42-G44 PolarHBondContact O-N 3.29Å; T42-Q622 PolarHBondContact O-NE2 3.32Å |
| 43 | V | 80.3 | Confident | 80.8 | Confident | 80 Ų | 80 | 35.4 Ų | 35.4 | 49% | 0.485 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.1 | 172.7 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | F7 A39 S40 M41 | F7-V43 HydrophobicContact CD1-CG2 3.61Å; F7-V43 HydrophobicContact CE1-CG2 4.23Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.26Å; A39-V43 PolarHBondContact O-N 3.28Å; S40-V43 PolarHBondContact O-N 2.85Å; M41-V43 VanDerWaalsContact C-N 3.29Å; M41-V43 PolarHBondContact O-N 3.32Å |
| 44 | G | 75.2 | Confident | 80.7 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 12.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S40 M41 T42 | S40-G44 PolarHBondContact O-N 3.07Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.49Å; T42-G44 PolarHBondContact O-N 3.29Å |
| 45 | K | 79.5 | Confident | 80.4 | Confident | 72 Ų | 72 | 36.5 Ų | 36.5 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | trans | -74.8 | 135.2 | 171.6 | -63.8 | 178.8 | -179.9 | 168.6 | 0 | 109.8 | T9 E14 S40 V47 | T9-K45 PolarHBondContact O-NZ 3.36Å; E14-K45 IonicContact OE1-NZ 3.71Å; E14-K45 IonicContact OE2-NZ 2.6Å; E14-K45 PolarHBondContact OE2-NZ 3.22Å; S40-K45 WeakPolarHBondContact O-CB 3.13Å; S40-K45 PolarHBondContact O-N 2.86Å; K45-V47 PolarHBondContact O-N 3.45Å | ||
| 46 | D | 76.9 | Confident | 80.2 | Confident | 108 Ų | 108 | 38.6 Ų | 38.6 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | trans | -71.8 | 112.8 | 172.7 | -176.6 | 7.9 | 0 | 0 | 0 | 110.5 | S48 | D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 2.98Å; D46-S48 PolarHBondContact OD2-OG 3.46Å | ||
| 47 | V | 78.9 | Confident | 80 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -115.4 | 20.2 | 176.5 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | V37 M41 K45 A49 L50 Y72 Y76 | V37-V47 HydrophobicContact CG1-CB 4.11Å; V37-V47 HydrophobicContact CG1-CG2 3.79Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; K45-V47 PolarHBondContact O-N 3.45Å; V47-A49 PolarHBondContact O-N 3.4Å; V47-L50 HydrophobicContact CB-CD1 4.34Å; V47-L50 WeakPolarHBondContact O-CB 3.09Å; V47-L50 PolarHBondContact O-N 3.21Å; V47-L50 VanDerWaalsContact O-N 3.11Å; V47-Y72 HydrophobicContact CG2-CE2 3.85Å; V47-Y72 PolarHBondContact O-OH 3.34Å; V47-Y76 HydrophobicContact CG2-CE2 3.81Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.37Å; V47-Y76 PolarHBondContact N-OH 3.2Å; V47-Y76 VanDerWaalsContact N-OH 3.09Å | ||
| 48 | S | 76.3 | Confident | 79.7 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59 | -30.3 | 177.4 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | D46 L50 F51 | D46-S48 WeakPolarHBondContact OD1-CB 3.41Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 2.98Å; D46-S48 PolarHBondContact OD2-OG 3.46Å; S48-L50 PolarHBondContact O-N 2.79Å; S48-L50 VanDerWaalsContact O-N 3.11Å; S48-F51 WeakPolarHBondContact O-CB 3.35Å; S48-F51 PolarHBondContact O-N 2.85Å |
| 49 | A | 80.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -62.3 | -18.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | I15 V47 | I15-A49 HydrophobicContact CG2-CB 4.49Å; V47-A49 PolarHBondContact O-N 3.4Å |
| 50 | L | 81.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -90.7 | -0.4 | 177.6 | -60.7 | 176.5 | 0 | 0 | 0 | 112.9 | I15 L18 K19 L22 V37 V47 S48 D53 V54 | I15-L50 HydrophobicContact CG2-CD2 3.83Å; I15-L50 HydrophobicContact CG2-CG 4.09Å; L18-L50 HydrophobicContact CB-CD1 3.81Å; L18-L50 HydrophobicContact CD1-CD1 4.1Å; K19-L50 HydrophobicContact CB-CD2 3.72Å; K19-L50 HydrophobicContact CG-CD2 4.39Å; L22-L50 HydrophobicContact CD1-CB 4.12Å; L22-L50 HydrophobicContact CD1-CD1 4.24Å; L22-L50 HydrophobicContact CD1-CD2 4.23Å; L22-L50 HydrophobicContact CD1-CG 4.44Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.62Å; V47-L50 HydrophobicContact CB-CD1 4.34Å; V47-L50 WeakPolarHBondContact O-CB 3.09Å; V47-L50 PolarHBondContact O-N 3.21Å; V47-L50 VanDerWaalsContact O-N 3.11Å; S48-L50 PolarHBondContact O-N 2.79Å; S48-L50 VanDerWaalsContact O-N 3.11Å; L50-D53 WeakPolarHBondContact O-CB 3.37Å; L50-D53 PolarHBondContact O-N 3.42Å; L50-V54 HydrophobicContact CB-CG2 4.22Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.2Å |
| 51 | F | 78.7 | Confident | 79 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.6 | -49.3 | -172.6 | -170.7 | -75.2 | 0 | 0 | 0 | 113.4 | S48 D53 V54 V55 Y72 L73 Y76 L83 | S48-F51 WeakPolarHBondContact O-CB 3.35Å; S48-F51 PolarHBondContact O-N 2.85Å; F51-D53 VanDerWaalsContact C-N 3.29Å; F51-D53 PolarHBondContact O-N 3.39Å; F51-V54 PolarHBondContact O-N 2.94Å; F51-V55 HydrophobicContact CD1-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 3.39Å; F51-V55 HydrophobicContact CZ-CG2 4.06Å; F51-V55 WeakPolarHBondContact O-CB 3.09Å; F51-V55 WeakPolarHBondContact O-CG2 3.14Å; F51-V55 PolarHBondContact O-N 3.24Å; F51-Y72 WeakPolarHBondContact CA-OH 3.35Å; F51-Y72 HydrophobicContact CB-CE1 4.15Å; F51-Y72 HydrophobicContact CD2-CD1 4.49Å; F51-Y72 AromaticContact CD2-CE1 3.6Å; F51-Y72 HydrophobicContact CD2-CE1 3.6Å; F51-Y72 HydrophobicContact CE2-CE1 4.3Å; F51-Y72 HydrophobicContact CG-CE1 4.08Å; F51-Y72 PolarHBondContact N-OH 3.32Å; F51-L73 HydrophobicContact CE1-CD2 4.1Å; F51-L73 HydrophobicContact CE2-CD2 3.67Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; F51-Y76 HydrophobicContact CD2-CG 4.46Å; F51-L83 HydrophobicContact CD1-CB 3.89Å; F51-L83 HydrophobicContact CD1-CD1 4.12Å; F51-L83 HydrophobicContact CE1-CB 3.45Å; F51-L83 VanDerWaalsContact CE1-CB 3.45Å; F51-L83 HydrophobicContact CE1-CG 4.5Å; F51-L83 HydrophobicContact CG-CD1 4.46Å; F51-L83 HydrophobicContact CZ-CB 3.94Å |
| 52 | P | 78.1 | Confident | 79 | Confident | 79 Ų | 79 | 49.6 Ų | 49.6 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 178.5 | -21.4 | 34.3 | 0 | 0 | 0 | 112.7 | N56 | P52-N56 WeakPolarHBondContact O-CB 3.22Å; P52-N56 PolarHBondContact O-N 3.39Å |
| 53 | D | 83.3 | Confident | 79.1 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.1 | -37 | -179.4 | -57.6 | -76.2 | 0 | 0 | 0 | 111.5 | K19 L22 N23 L50 F51 C57 | K19-D53 WeakPolarHBondContact CE-OD1 3.33Å; K19-D53 WeakPolarHBondContact CE-OD2 3.36Å; K19-D53 IonicContact NZ-OD2 3.51Å; L22-D53 HydrophobicContact CB-CB 4.2Å; L22-D53 HydrophobicContact CD1-CB 3.93Å; N23-D53 PolarHBondContact ND2-OD1 3.13Å; L50-D53 WeakPolarHBondContact O-CB 3.37Å; L50-D53 PolarHBondContact O-N 3.42Å; F51-D53 VanDerWaalsContact C-N 3.29Å; F51-D53 PolarHBondContact O-N 3.39Å; D53-C57 PolarHBondContact O-N 2.82Å; D53-C57 PolarHBondContact O-SG 2.85Å |
| 54 | V | 82.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72 | -41.8 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | L22 V37 L50 F51 N56 C57 V69 Y72 | L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.27Å; V37-V54 HydrophobicContact CG1-CG2 4.38Å; L50-V54 HydrophobicContact CB-CG2 4.22Å; L50-V54 WeakPolarHBondContact O-CG2 3.38Å; L50-V54 PolarHBondContact O-N 3.2Å; F51-V54 PolarHBondContact O-N 2.94Å; V54-N56 VanDerWaalsContact C-N 3.29Å; V54-N56 PolarHBondContact O-N 3.31Å; V54-C57 WeakPolarHBondContact O-CA 3.37Å; V54-C57 VanDerWaalsContact O-CB 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.19Å; V54-C57 PolarHBondContact O-N 3.42Å; V54-V69 HydrophobicContact CG1-CB 4.43Å; V54-V69 HydrophobicContact CG1-CG1 4.07Å; V54-V69 HydrophobicContact CG1-CG2 4.18Å; V54-V69 WeakPolarHBondContact O-CG1 3.48Å; V54-Y72 HydrophobicContact CB-CD1 3.96Å; V54-Y72 HydrophobicContact CB-CE1 3.93Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.48Å; V54-Y72 VanDerWaalsContact CG1-CD1 3.48Å; V54-Y72 HydrophobicContact CG1-CD2 4.36Å; V54-Y72 HydrophobicContact CG1-CE1 3.99Å; V54-Y72 HydrophobicContact CG1-CG 3.71Å; V54-Y72 HydrophobicContact CG2-CD1 4.41Å; V54-Y72 HydrophobicContact CG2-CD2 4.47Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.24Å |
| 55 | V | 77.9 | Confident | 79.6 | Confident | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | F51 C57 M58 L73 | F51-V55 HydrophobicContact CD1-CG2 3.69Å; F51-V55 HydrophobicContact CE1-CG2 3.39Å; F51-V55 HydrophobicContact CZ-CG2 4.06Å; F51-V55 WeakPolarHBondContact O-CB 3.09Å; F51-V55 WeakPolarHBondContact O-CG2 3.14Å; F51-V55 PolarHBondContact O-N 3.24Å; V55-C57 PolarHBondContact O-N 2.81Å; V55-M58 HydrophobicContact CG1-CE 4.2Å; V55-M58 WeakPolarHBondContact O-CB 3.39Å; V55-M58 PolarHBondContact O-N 2.88Å; V55-L73 HydrophobicContact CG2-CD2 3.75Å |
| 56 | N | 80.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 43% | 0.433 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -27.8 | 174.7 | -167.9 | 40.1 | 0 | 0 | 0 | 112.4 | P52 V54 M58 | P52-N56 WeakPolarHBondContact O-CB 3.22Å; P52-N56 PolarHBondContact O-N 3.39Å; V54-N56 VanDerWaalsContact C-N 3.29Å; V54-N56 PolarHBondContact O-N 3.31Å; N56-M58 PolarHBondContact O-N 2.91Å |
| 57 | C | 80.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.7 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | D53 V54 V55 Q59 T60 V69 | D53-C57 PolarHBondContact O-N 2.82Å; D53-C57 PolarHBondContact O-SG 2.85Å; V54-C57 WeakPolarHBondContact O-CA 3.37Å; V54-C57 VanDerWaalsContact O-CB 3.26Å; V54-C57 WeakPolarHBondContact O-CB 3.19Å; V54-C57 PolarHBondContact O-N 3.42Å; V55-C57 PolarHBondContact O-N 2.81Å; C57-Q59 VanDerWaalsContact C-N 3.29Å; C57-Q59 PolarHBondContact O-N 3.15Å; C57-T60 VanDerWaalsContact O-CG2 3.29Å; C57-T60 WeakPolarHBondContact O-CG2 3.38Å; C57-V69 HydrophobicContact CB-CG2 3.89Å |
| 58 | M | 77.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.4 | 179.5 | -165.8 | 170.5 | 46.7 | 0 | 0 | 113.1 | V55 N56 T60 K66 V69 Y70 L73 A87 T90 F91 | V55-M58 HydrophobicContact CG1-CE 4.2Å; V55-M58 WeakPolarHBondContact O-CB 3.39Å; V55-M58 PolarHBondContact O-N 2.88Å; N56-M58 PolarHBondContact O-N 2.91Å; M58-T60 PolarHBondContact O-N 3.41Å; M58-K66 PolarHBondContact O-NZ 3.26Å; M58-V69 HydrophobicContact CB-CG1 3.72Å; M58-V69 HydrophobicContact CG-CG1 4.04Å; M58-Y70 HydrophobicContact CG-CD1 4.23Å; M58-Y70 HydrophobicContact CG-CE1 3.64Å; M58-Y70 HydrophobicContact SD-CD1 4.13Å; M58-Y70 HydrophobicContact SD-CE1 3.62Å; M58-L73 HydrophobicContact CE-CD1 4.47Å; M58-L73 HydrophobicContact SD-CD1 3.61Å; M58-A87 HydrophobicContact CE-CB 3.7Å; M58-A87 HydrophobicContact SD-CB 4.29Å; M58-T90 HydrophobicContact CE-CG2 3.62Å; M58-T90 WeakPolarHBondContact CE-OG1 3.33Å; M58-T90 HydrophobicContact CG-CG2 3.9Å; M58-T90 HydrophobicContact SD-CG2 4.04Å; M58-F91 HydrophobicContact SD-CE1 4.37Å; M58-F91 HydrophobicContact SD-CZ 4.34Å |
| 59 | Q | 78.5 | Confident | 80.9 | Confident | 152 Ų | 152 | 40 Ų | 40 | 71% | 0.71 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76.8 | 63.1 | 177 | -62 | -173.5 | 5.8 | 0 | 0 | 110.6 | C57 | C57-Q59 VanDerWaalsContact C-N 3.29Å; C57-Q59 PolarHBondContact O-N 3.15Å |
| 60 | T | 77.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | trans | -138.7 | 144.3 | -178.5 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | C57 M58 N62 L65 K66 | C57-T60 VanDerWaalsContact O-CG2 3.29Å; C57-T60 WeakPolarHBondContact O-CG2 3.38Å; M58-T60 PolarHBondContact O-N 3.41Å; T60-N62 HydrophobicContact CG2-CB 4.45Å; T60-N62 PolarHBondContact OG1-N 3.46Å; T60-L65 HydrophobicContact CG2-CB 3.98Å; T60-L65 HydrophobicContact CG2-CD2 3.86Å; T60-L65 HydrophobicContact CG2-CG 3.9Å; T60-K66 HydrophobicContact CG2-CB 4.32Å; T60-K66 WeakPolarHBondContact O-CE 3.09Å; T60-K66 PolarHBondContact O-NZ 3.43Å | ||
| 61 | D | 73.6 | Confident | 81.3 | Confident | 133 Ų | 133 | 39 Ų | 39 | 71% | 0.711 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -84.1 | -5.2 | 173.9 | -39.3 | -48.5 | 0 | 0 | 0 | 111.6 | L63 | D61-L63 PolarHBondContact O-N 3.47Š|
| 62 | N | 81.7 | Confident | 81.6 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | trans | -77 | 111.1 | 178.5 | -175.8 | -48.1 | 0 | 0 | 0 | 110.2 | T60 E64 L65 K66 | T60-N62 HydrophobicContact CG2-CB 4.45Å; T60-N62 PolarHBondContact OG1-N 3.46Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.03Å; N62-E64 WeakPolarHBondContact OD1-CB 3.29Å; N62-E64 PolarHBondContact OD1-N 3.45Å; N62-L65 HydrophobicContact CB-CB 4.08Å; N62-L65 PolarHBondContact O-N 3.25Å; N62-L65 PolarHBondContact OD1-N 2.99Å; N62-K66 WeakPolarHBondContact O-CB 3.49Å; N62-K66 PolarHBondContact O-N 2.89Å | ||
| 63 | L | 80.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | -178.5 | -174.3 | 67.8 | 0 | 0 | 0 | 113.4 | D61 K66 K67 L101 I102 L105 | D61-L63 PolarHBondContact O-N 3.47Å; L63-K66 PolarHBondContact O-N 2.76Å; L63-K67 HydrophobicContact CG-CD 4.49Å; L63-K67 WeakPolarHBondContact O-CB 3.32Å; L63-K67 VanDerWaalsContact O-CG 3.27Å; L63-K67 WeakPolarHBondContact O-CG 3.45Å; L63-K67 PolarHBondContact O-N 2.92Å; L63-L101 HydrophobicContact CD1-CB 4.36Å; L63-L101 HydrophobicContact CD2-CB 4.36Å; L63-L101 HydrophobicContact CD2-CD1 3.96Å; L63-I102 HydrophobicContact CD1-CG1 3.84Å; L63-L105 HydrophobicContact CD1-CD2 4.23Å |
| 64 | E | 83 | Confident | 81.7 | Confident | 73 Ų | 73 | 36.8 Ų | 36.8 | 34% | 0.341 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 179.4 | -172.3 | -172.9 | 170.1 | 0 | 0 | 110.8 | K31 K35 N62 K66 K67 L68 | K31-E64 VanDerWaalsContact CE-CD 3.42Å; K31-E64 WeakPolarHBondContact CE-OE1 3.26Å; K31-E64 VanDerWaalsContact CE-OE2 3.23Å; K31-E64 WeakPolarHBondContact CE-OE2 3.46Å; K31-E64 IonicContact NZ-OE1 2.78Å; K31-E64 PolarHBondContact NZ-OE1 3.25Å; K31-E64 IonicContact NZ-OE2 3.99Å; K31-E64 PolarHBondContact NZ-OE2 3.37Å; K35-E64 WeakPolarHBondContact CE-OE1 3.02Å; K35-E64 IonicContact NZ-OE1 2.73Å; K35-E64 PolarHBondContact NZ-OE1 2.88Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.03Å; N62-E64 WeakPolarHBondContact OD1-CB 3.29Å; N62-E64 PolarHBondContact OD1-N 3.45Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.15Å; E64-K67 PolarHBondContact O-N 3.28Å; E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 2.87Å; E64-L68 VanDerWaalsContact O-N 3.12Å |
| 65 | L | 82.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 177 | -177.6 | 56.9 | 0 | 0 | 0 | 111 | K30 K31 V34 T60 N62 K67 L68 V69 | K30-L65 HydrophobicContact CB-CD2 4.32Å; K31-L65 HydrophobicContact CB-CD1 4.43Å; V34-L65 HydrophobicContact CB-CD1 4.16Å; V34-L65 HydrophobicContact CG2-CD1 3.74Å; T60-L65 HydrophobicContact CG2-CB 3.98Å; T60-L65 HydrophobicContact CG2-CD2 3.86Å; T60-L65 HydrophobicContact CG2-CG 3.9Å; N62-L65 HydrophobicContact CB-CB 4.08Å; N62-L65 PolarHBondContact O-N 3.25Å; N62-L65 PolarHBondContact OD1-N 2.99Å; L65-K67 PolarHBondContact O-N 3.27Å; L65-L68 PolarHBondContact O-N 3.28Å; L65-V69 HydrophobicContact CD1-CG2 4.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 2.67Å |
| 66 | K | 85.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.9 | -164.8 | -179.1 | -77 | -78.2 | 0 | 111.6 | M58 T60 N62 L63 E64 L68 V69 Y70 D94 I102 | M58-K66 PolarHBondContact O-NZ 3.26Å; T60-K66 HydrophobicContact CG2-CB 4.32Å; T60-K66 WeakPolarHBondContact O-CE 3.09Å; T60-K66 PolarHBondContact O-NZ 3.43Å; N62-K66 WeakPolarHBondContact O-CB 3.49Å; N62-K66 PolarHBondContact O-N 2.89Å; L63-K66 PolarHBondContact O-N 2.76Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.15Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.42Å; K66-V69 PolarHBondContact O-N 2.86Å; K66-Y70 HydrophobicContact CD-CE1 4.21Å; K66-Y70 HydrophobicContact CD-CE2 4.33Å; K66-Y70 HydrophobicContact CG-CD1 4.09Å; K66-Y70 HydrophobicContact CG-CE1 3.6Å; K66-Y70 HydrophobicContact CG-CE2 4.18Å; K66-Y70 WeakPolarHBondContact O-CB 3.43Å; K66-Y70 WeakPolarHBondContact O-CD1 3.36Å; K66-Y70 VanDerWaalsContact O-CG 3.3Å; K66-Y70 PolarHBondContact O-N 3.48Å; K66-D94 IonicContact NZ-OD1 3.04Å; K66-D94 PolarHBondContact NZ-OD1 2.75Å; K66-D94 IonicContact NZ-OD2 2.64Å; K66-D94 PolarHBondContact NZ-OD2 3.23Å; K66-I102 HydrophobicContact CD-CG2 4.02Å |
| 67 | K | 84.8 | Confident | 81.2 | Confident | 69 Ų | 69 | 36 Ų | 36 | 30% | 0.3 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.3 | -45 | 173.4 | -76.9 | 174.8 | 178.7 | -175.4 | 0 | 112.4 | L63 E64 L65 Y70 L71 L105 | L63-K67 HydrophobicContact CG-CD 4.49Å; L63-K67 WeakPolarHBondContact O-CB 3.32Å; L63-K67 VanDerWaalsContact O-CG 3.27Å; L63-K67 WeakPolarHBondContact O-CG 3.45Å; L63-K67 PolarHBondContact O-N 2.92Å; E64-K67 PolarHBondContact O-N 3.28Å; L65-K67 PolarHBondContact O-N 3.27Å; K67-Y70 PolarHBondContact O-N 2.93Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 PolarHBondContact O-N 3.35Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.28Å; K67-L105 HydrophobicContact CG-CD2 3.6Å |
| 68 | L | 85.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 179.3 | -67 | 170 | 0 | 0 | 0 | 112 | V34 K35 I38 E64 L65 K66 Y70 L71 Y72 | V34-L68 HydrophobicContact CB-CB 4.44Å; V34-L68 HydrophobicContact CG1-CB 3.55Å; V34-L68 HydrophobicContact CG1-CD1 4.49Å; K35-L68 HydrophobicContact CG-CD1 3.66Å; K35-L68 HydrophobicContact CG-CD2 4.48Å; I38-L68 HydrophobicContact CG1-CD2 4.46Å; E64-L68 WeakPolarHBondContact O-CG 3.42Å; E64-L68 PolarHBondContact O-N 2.87Å; E64-L68 VanDerWaalsContact O-N 3.12Å; L65-L68 PolarHBondContact O-N 3.28Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.42Å; L68-Y70 VanDerWaalsContact C-N 3.35Å; L68-L71 PolarHBondContact O-N 3.27Å; L68-Y72 PolarHBondContact O-N 3.46Å |
| 69 | V | 85.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 176 | 173.6 | 0 | 0 | 0 | 0 | 111 | V34 V54 C57 M58 L65 K66 Y72 L73 | V34-V69 HydrophobicContact CG1-CG2 4.49Å; V34-V69 HydrophobicContact CG2-CG2 4.39Å; V54-V69 HydrophobicContact CG1-CB 4.43Å; V54-V69 HydrophobicContact CG1-CG1 4.07Å; V54-V69 HydrophobicContact CG1-CG2 4.18Å; V54-V69 WeakPolarHBondContact O-CG1 3.48Å; C57-V69 HydrophobicContact CB-CG2 3.89Å; M58-V69 HydrophobicContact CB-CG1 3.72Å; M58-V69 HydrophobicContact CG-CG1 4.04Å; L65-V69 HydrophobicContact CD1-CG2 4.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 2.67Å; K66-V69 PolarHBondContact O-N 2.86Å; V69-Y72 WeakPolarHBondContact O-CB 3.42Å; V69-Y72 PolarHBondContact O-N 3.3Å; V69-L73 HydrophobicContact CG1-CD1 4.29Å; V69-L73 WeakPolarHBondContact O-CG 3.1Å; V69-L73 PolarHBondContact O-N 2.81Å |
| 70 | Y | 86 | Confident | 80.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.8 | -75.7 | 12.6 | 0 | 0 | 0 | 112.4 | M58 K66 K67 L68 Y72 L73 M74 F91 D94 L105 A106 T109 | M58-Y70 HydrophobicContact CG-CD1 4.23Å; M58-Y70 HydrophobicContact CG-CE1 3.64Å; M58-Y70 HydrophobicContact SD-CD1 4.13Å; M58-Y70 HydrophobicContact SD-CE1 3.62Å; K66-Y70 HydrophobicContact CD-CE1 4.21Å; K66-Y70 HydrophobicContact CD-CE2 4.33Å; K66-Y70 HydrophobicContact CG-CD1 4.09Å; K66-Y70 HydrophobicContact CG-CE1 3.6Å; K66-Y70 HydrophobicContact CG-CE2 4.18Å; K66-Y70 WeakPolarHBondContact O-CB 3.43Å; K66-Y70 WeakPolarHBondContact O-CD1 3.36Å; K66-Y70 VanDerWaalsContact O-CG 3.3Å; K66-Y70 PolarHBondContact O-N 3.48Å; K67-Y70 PolarHBondContact O-N 2.93Å; L68-Y70 VanDerWaalsContact C-N 3.35Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 2.99Å; Y70-L73 PolarHBondContact O-N 3.2Å; Y70-M74 WeakPolarHBondContact O-CG 3.15Å; Y70-M74 PolarHBondContact O-N 3.09Å; Y70-F91 AromaticContact CD1-CE1 3.65Å; Y70-F91 HydrophobicContact CD1-CE1 3.65Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.02Å; Y70-F91 AromaticContact CE1-CD1 3.91Å; Y70-F91 HydrophobicContact CE1-CD1 3.91Å; Y70-F91 AromaticContact CE1-CE1 3.36Å; Y70-F91 HydrophobicContact CE1-CE1 3.36Å; Y70-F91 HydrophobicContact CE1-CZ 4.24Å; Y70-F91 HydrophobicContact CE2-CD1 4.07Å; Y70-F91 AromaticContact CE2-CE1 3.77Å; Y70-F91 HydrophobicContact CE2-CE1 3.77Å; Y70-F91 AromaticContact CG-CE1 3.97Å; Y70-F91 HydrophobicContact CG-CE1 3.97Å; Y70-F91 AromaticContact CZ-CD1 3.59Å; Y70-F91 AromaticContact CZ-CE1 3.41Å; Y70-F91 VanDerWaalsContact CZ-CE1 3.41Å; Y70-D94 PolarHBondContact OH-OD2 3.39Å; Y70-L105 HydrophobicContact CD2-CD1 4.17Å; Y70-L105 HydrophobicContact CD2-CD2 3.78Å; Y70-L105 HydrophobicContact CD2-CG 3.53Å; Y70-L105 HydrophobicContact CE2-CB 4.42Å; Y70-L105 HydrophobicContact CE2-CD2 3.91Å; Y70-L105 HydrophobicContact CE2-CG 3.69Å; Y70-A106 HydrophobicContact CE2-CB 4.4Å; Y70-T109 HydrophobicContact CD2-CG2 4Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.1Å; Y70-T109 HydrophobicContact CG-CG2 4.03Å |
| 71 | L | 84.5 | Confident | 80.5 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -45 | 172.8 | 179.1 | 62.3 | 0 | 0 | 0 | 111.6 | I38 K67 L68 M74 N75 L629 | I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.19Å; I38-L71 HydrophobicContact CD1-CG 4.18Å; I38-L71 HydrophobicContact CG2-CD2 4Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 PolarHBondContact O-N 3.35Å; L68-L71 PolarHBondContact O-N 3.27Å; L71-M74 HydrophobicContact CD1-CE 4.2Å; L71-M74 PolarHBondContact O-N 3.48Å; L71-N75 PolarHBondContact O-N 2.95Å; L71-L629 HydrophobicContact CD1-CD1 4.08Å; L71-L629 HydrophobicContact CD1-CD2 4.22Å |
| 72 | Y | 84 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 174.3 | 178.8 | -89.2 | 0 | 0 | 0 | 111.4 | V37 I38 M41 V47 F51 V54 L68 V69 Y70 M74 N75 Y76 | V37-Y72 HydrophobicContact CG1-CD2 3.68Å; V37-Y72 HydrophobicContact CG1-CE2 3.54Å; I38-Y72 HydrophobicContact CD1-CD2 4.46Å; M41-Y72 HydrophobicContact SD-CD2 4.27Å; V47-Y72 HydrophobicContact CG2-CE2 3.85Å; V47-Y72 PolarHBondContact O-OH 3.34Å; F51-Y72 WeakPolarHBondContact CA-OH 3.35Å; F51-Y72 HydrophobicContact CB-CE1 4.15Å; F51-Y72 HydrophobicContact CD2-CD1 4.49Å; F51-Y72 AromaticContact CD2-CE1 3.6Å; F51-Y72 HydrophobicContact CD2-CE1 3.6Å; F51-Y72 HydrophobicContact CE2-CE1 4.3Å; F51-Y72 HydrophobicContact CG-CE1 4.08Å; F51-Y72 PolarHBondContact N-OH 3.32Å; V54-Y72 HydrophobicContact CB-CD1 3.96Å; V54-Y72 HydrophobicContact CB-CE1 3.93Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.48Å; V54-Y72 VanDerWaalsContact CG1-CD1 3.48Å; V54-Y72 HydrophobicContact CG1-CD2 4.36Å; V54-Y72 HydrophobicContact CG1-CE1 3.99Å; V54-Y72 HydrophobicContact CG1-CG 3.71Å; V54-Y72 HydrophobicContact CG2-CD1 4.41Å; V54-Y72 HydrophobicContact CG2-CD2 4.47Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.24Å; L68-Y72 PolarHBondContact O-N 3.46Å; V69-Y72 WeakPolarHBondContact O-CB 3.42Å; V69-Y72 PolarHBondContact O-N 3.3Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 2.99Å; Y72-M74 PolarHBondContact O-N 3.24Å; Y72-N75 PolarHBondContact O-N 2.83Å; Y72-Y76 HydrophobicContact CD1-CD2 4.08Å; Y72-Y76 AromaticContact CD2-CD2 3.77Å; Y72-Y76 HydrophobicContact CD2-CD2 3.77Å; Y72-Y76 AromaticContact CD2-CE2 3.75Å; Y72-Y76 HydrophobicContact CD2-CE2 3.75Å; Y72-Y76 AromaticContact CE1-CD2 3.77Å; Y72-Y76 HydrophobicContact CE1-CD2 3.77Å; Y72-Y76 HydrophobicContact CE1-CE2 4.43Å; Y72-Y76 HydrophobicContact CE1-CG 4.34Å; Y72-Y76 AromaticContact CE2-CD2 3.47Å; Y72-Y76 HydrophobicContact CE2-CD2 3.47Å; Y72-Y76 VanDerWaalsContact CE2-CD2 3.47Å; Y72-Y76 AromaticContact CE2-CE2 3.3Å; Y72-Y76 HydrophobicContact CE2-CE2 3.3Å; Y72-Y76 HydrophobicContact CG-CD2 4.07Å; Y72-Y76 HydrophobicContact CG-CE2 4.49Å; Y72-Y76 AromaticContact CZ-CD2 3.45Å; Y72-Y76 VanDerWaalsContact CZ-CD2 3.45Å; Y72-Y76 AromaticContact CZ-CE2 3.68Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.24Å; Y72-Y76 PolarHBondContact O-N 3.27Å; Y72-Y76 VanDerWaalsContact O-N 3.11Å |
| 73 | L | 82.5 | Confident | 80 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 179.4 | -78.2 | 177 | 0 | 0 | 0 | 112.6 | F51 V55 M58 V69 Y70 N75 Y76 A77 A87 F91 | F51-L73 HydrophobicContact CE1-CD2 4.1Å; F51-L73 HydrophobicContact CE2-CD2 3.67Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; V55-L73 HydrophobicContact CG2-CD2 3.75Å; M58-L73 HydrophobicContact CE-CD1 4.47Å; M58-L73 HydrophobicContact SD-CD1 3.61Å; V69-L73 HydrophobicContact CG1-CD1 4.29Å; V69-L73 WeakPolarHBondContact O-CG 3.1Å; V69-L73 PolarHBondContact O-N 2.81Å; Y70-L73 PolarHBondContact O-N 3.2Å; L73-N75 PolarHBondContact O-N 3.22Å; L73-Y76 PolarHBondContact O-N 2.96Å; L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 3.17Å; L73-A87 HydrophobicContact CD1-CB 3.93Å; L73-F91 HydrophobicContact CD1-CE2 4.21Å; L73-F91 HydrophobicContact CD1-CZ 3.7Å |
| 74 | M | 80.4 | Confident | 79.7 | Confident | 51 Ų | 51 | 40 Ų | 40 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.2 | -36.8 | 178.2 | -74.3 | -174 | -68.7 | 0 | 0 | 112.4 | Y70 L71 Y72 T109 C112 | Y70-M74 WeakPolarHBondContact O-CG 3.15Å; Y70-M74 PolarHBondContact O-N 3.09Å; L71-M74 HydrophobicContact CD1-CE 4.2Å; L71-M74 PolarHBondContact O-N 3.48Å; Y72-M74 PolarHBondContact O-N 3.24Å; M74-T109 HydrophobicContact CG-CG2 3.8Å; M74-T109 HydrophobicContact SD-CG2 4.22Å; M74-C112 HydrophobicContact CG-CB 4.14Å; M74-C112 HydrophobicContact SD-CB 3.55Å; M74-C112 VanDerWaalsContact SD-CB 3.55Å |
| 75 | N | 80.4 | Confident | 79.2 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -75.5 | -44.1 | 179.7 | -163 | 22.8 | 0 | 0 | 0 | 112.4 | M41 L71 Y72 L73 | M41-N75 HydrophobicContact CE-CB 4.12Å; M41-N75 VanDerWaalsContact CG-ND2 3.28Å; M41-N75 WeakPolarHBondContact CG-ND2 3.44Å; M41-N75 HydrophobicContact SD-CB 3.8Å; M41-N75 PolarHBondContact SD-ND2 3.38Å; L71-N75 PolarHBondContact O-N 2.95Å; Y72-N75 PolarHBondContact O-N 2.83Å; L73-N75 PolarHBondContact O-N 3.22Å |
| 76 | Y | 77.9 | Confident | 78.7 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -85.7 | -18.3 | -175.5 | -77 | -76.3 | 0 | 0 | 0 | 114.6 | M41 V47 F51 Y72 L73 K78 T79 Q80 | M41-Y76 HydrophobicContact CG-CE2 3.99Å; M41-Y76 HydrophobicContact SD-CD2 4.1Å; M41-Y76 HydrophobicContact SD-CE2 3.52Å; M41-Y76 VanDerWaalsContact SD-CE2 3.52Å; V47-Y76 HydrophobicContact CG2-CE2 3.81Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.37Å; V47-Y76 PolarHBondContact N-OH 3.2Å; V47-Y76 VanDerWaalsContact N-OH 3.09Å; F51-Y76 HydrophobicContact CD2-CG 4.46Å; Y72-Y76 HydrophobicContact CD1-CD2 4.08Å; Y72-Y76 AromaticContact CD2-CD2 3.77Å; Y72-Y76 HydrophobicContact CD2-CD2 3.77Å; Y72-Y76 AromaticContact CD2-CE2 3.75Å; Y72-Y76 HydrophobicContact CD2-CE2 3.75Å; Y72-Y76 AromaticContact CE1-CD2 3.77Å; Y72-Y76 HydrophobicContact CE1-CD2 3.77Å; Y72-Y76 HydrophobicContact CE1-CE2 4.43Å; Y72-Y76 HydrophobicContact CE1-CG 4.34Å; Y72-Y76 AromaticContact CE2-CD2 3.47Å; Y72-Y76 HydrophobicContact CE2-CD2 3.47Å; Y72-Y76 VanDerWaalsContact CE2-CD2 3.47Å; Y72-Y76 AromaticContact CE2-CE2 3.3Å; Y72-Y76 HydrophobicContact CE2-CE2 3.3Å; Y72-Y76 HydrophobicContact CG-CD2 4.07Å; Y72-Y76 HydrophobicContact CG-CE2 4.49Å; Y72-Y76 AromaticContact CZ-CD2 3.45Å; Y72-Y76 VanDerWaalsContact CZ-CD2 3.45Å; Y72-Y76 AromaticContact CZ-CE2 3.68Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.24Å; Y72-Y76 PolarHBondContact O-N 3.27Å; Y72-Y76 VanDerWaalsContact O-N 3.11Å; L73-Y76 PolarHBondContact O-N 2.96Å; Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.48Å; Y76-T79 PolarHBondContact O-N 3.33Å; Y76-T79 PolarHBondContact O-OG1 3.5Å; Y76-Q80 PolarHBondContact O-N 3.37Å |
| 77 | A | 74.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L73 T79 Q80 P81 A84 I113 | L73-A77 WeakPolarHBondContact O-CB 3.42Å; L73-A77 PolarHBondContact O-N 3.17Å; A77-T79 VanDerWaalsContact C-N 3.32Å; A77-T79 PolarHBondContact O-N 2.88Å; A77-Q80 CarbonylContact O-C 3.41Å; A77-Q80 PolarHBondContact O-N 3.15Å; A77-P81 WeakPolarHBondContact O-CA 3.37Å; A77-A84 HydrophobicContact CB-CB 3.83Å; A77-I113 HydrophobicContact CB-CB 4.44Å; A77-I113 HydrophobicContact CB-CG1 4.16Å; A77-I113 HydrophobicContact CB-CG2 3.75Å |
| 78 | K | 73.8 | Confident | 78.2 | Confident | 137 Ų | 137 | 41.7 Ų | 41.7 | 60% | 0.596 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.9 | 174.7 | -70.7 | -174.5 | 179.4 | 178.6 | 0 | 112.9 | Y76 | Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.48Å |
| 79 | T | 76.2 | Confident | 78 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -27.4 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | Y76 A77 | Y76-T79 PolarHBondContact O-N 3.33Å; Y76-T79 PolarHBondContact O-OG1 3.5Å; A77-T79 VanDerWaalsContact C-N 3.32Å; A77-T79 PolarHBondContact O-N 2.88Å |
| 80 | Q | 75.3 | Confident | 77.9 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | trans | -135.6 | 69.1 | -175.8 | -66.2 | -175.3 | -20.5 | 0 | 0 | 110.8 | Y76 A77 D82 L83 A84 | Y76-Q80 PolarHBondContact O-N 3.37Å; A77-Q80 CarbonylContact O-C 3.41Å; A77-Q80 PolarHBondContact O-N 3.15Å; Q80-D82 VanDerWaalsContact C-N 3.34Å; Q80-D82 PolarHBondContact O-N 3.48Å; Q80-L83 HydrophobicContact CB-CB 4.3Å; Q80-L83 HydrophobicContact CB-CD1 4.14Å; Q80-L83 HydrophobicContact CG-CD1 4.4Å; Q80-L83 PolarHBondContact O-N 3.3Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.26Å; Q80-A84 PolarHBondContact O-N 2.81Å | ||
| 81 | P | 72.7 | Confident | 78 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.1 | -38.3 | -174.3 | 24.5 | -34.1 | 0 | 0 | 0 | 112.5 | A77 L83 A84 I85 V115 | A77-P81 WeakPolarHBondContact O-CA 3.37Å; P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.41Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 3.16Å; P81-A84 VanDerWaalsContact O-N 3.15Å; P81-I85 PolarHBondContact O-N 3.31Å; P81-V115 HydrophobicContact CB-CG1 3.76Å; P81-V115 HydrophobicContact CB-CG2 4.26Å |
| 82 | D | 75.4 | Confident | 78.1 | Confident | 102 Ų | 102 | 47.4 Ų | 47.4 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -31.4 | -177.7 | -58.4 | -46.5 | 0 | 0 | 0 | 112.3 | Q80 K117 | Q80-D82 VanDerWaalsContact C-N 3.34Å; Q80-D82 PolarHBondContact O-N 3.48Å; D82-K117 IonicContact OD1-NZ 2.88Å; D82-K117 PolarHBondContact OD1-NZ 2.93Å |
| 83 | L | 70.7 | Confident | 78.3 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.3 | -30.9 | 174.8 | -70.4 | 171.9 | 0 | 0 | 0 | 112.1 | F51 Q80 P81 I85 M86 | F51-L83 HydrophobicContact CD1-CB 3.89Å; F51-L83 HydrophobicContact CD1-CD1 4.12Å; F51-L83 HydrophobicContact CE1-CB 3.45Å; F51-L83 VanDerWaalsContact CE1-CB 3.45Å; F51-L83 HydrophobicContact CE1-CG 4.5Å; F51-L83 HydrophobicContact CG-CD1 4.46Å; F51-L83 HydrophobicContact CZ-CB 3.94Å; Q80-L83 HydrophobicContact CB-CB 4.3Å; Q80-L83 HydrophobicContact CB-CD1 4.14Å; Q80-L83 HydrophobicContact CG-CD1 4.4Å; Q80-L83 PolarHBondContact O-N 3.3Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.26Å; P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.41Å; L83-I85 PolarHBondContact O-N 3.33Å; L83-M86 HydrophobicContact CD2-SD 4.28Å; L83-M86 WeakPolarHBondContact O-CB 3.14Å; L83-M86 PolarHBondContact O-N 2.76Å |
| 84 | A | 72.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -29.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A77 Q80 P81 M86 A87 V88 I118 | A77-A84 HydrophobicContact CB-CB 3.83Å; Q80-A84 PolarHBondContact O-N 2.81Å; P81-A84 WeakPolarHBondContact O-CB 3.42Å; P81-A84 PolarHBondContact O-N 3.16Å; P81-A84 VanDerWaalsContact O-N 3.15Å; A84-M86 PolarHBondContact O-N 2.9Å; A84-A87 WeakPolarHBondContact O-CB 3.14Å; A84-A87 PolarHBondContact O-N 2.82Å; A84-V88 PolarHBondContact O-N 3.12Å; A84-I118 HydrophobicContact CB-CD1 3.71Å |
| 85 | I | 73.4 | Confident | 79.1 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 174.4 | -62.3 | 170.9 | 0 | 0 | 0 | 111.2 | P81 L83 A87 V88 K117 I118 | P81-I85 PolarHBondContact O-N 3.31Å; L83-I85 PolarHBondContact O-N 3.33Å; I85-A87 PolarHBondContact O-N 3.41Å; I85-V88 VanDerWaalsContact O-CB 3.28Å; I85-V88 WeakPolarHBondContact O-CB 3.37Å; I85-V88 WeakPolarHBondContact O-CG2 3.18Å; I85-V88 PolarHBondContact O-N 2.79Å; I85-V88 VanDerWaalsContact O-N 3.13Å; I85-K117 HydrophobicContact CD1-CB 4.38Å; I85-K117 HydrophobicContact CD1-CD 3.98Å; I85-I118 HydrophobicContact CG1-CG1 4.45Å |
| 86 | M | 72.7 | Confident | 79.6 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -27.5 | 177.4 | -62.2 | -176.9 | 64.6 | 0 | 0 | 112.6 | L83 A84 | L83-M86 HydrophobicContact CD2-SD 4.28Å; L83-M86 WeakPolarHBondContact O-CB 3.14Å; L83-M86 PolarHBondContact O-N 2.76Å; A84-M86 PolarHBondContact O-N 2.9Å |
| 87 | A | 77.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.8 | -22.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M58 L73 A84 I85 N89 T90 F91 | M58-A87 HydrophobicContact CE-CB 3.7Å; M58-A87 HydrophobicContact SD-CB 4.29Å; L73-A87 HydrophobicContact CD1-CB 3.93Å; A84-A87 WeakPolarHBondContact O-CB 3.14Å; A84-A87 PolarHBondContact O-N 2.82Å; I85-A87 PolarHBondContact O-N 3.41Å; A87-N89 VanDerWaalsContact C-N 3.31Å; A87-N89 PolarHBondContact O-N 2.9Å; A87-T90 WeakPolarHBondContact O-CA 3.46Å; A87-T90 WeakPolarHBondContact O-CB 3.34Å; A87-T90 PolarHBondContact O-N 3.32Å; A87-F91 HydrophobicContact CB-CD2 4.16Å; A87-F91 HydrophobicContact CB-CE2 3.7Å; A87-F91 HydrophobicContact CB-CZ 4.48Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 PolarHBondContact O-N 3.18Å |
| 88 | V | 81 | Confident | 80.9 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.1 | -46.5 | -179.1 | 176 | 0 | 0 | 0 | 0 | 111.8 | A84 I85 T90 F91 V92 M110 I118 Y121 | A84-V88 PolarHBondContact O-N 3.12Å; I85-V88 VanDerWaalsContact O-CB 3.28Å; I85-V88 WeakPolarHBondContact O-CB 3.37Å; I85-V88 WeakPolarHBondContact O-CG2 3.18Å; I85-V88 PolarHBondContact O-N 2.79Å; I85-V88 VanDerWaalsContact O-N 3.13Å; V88-T90 PolarHBondContact O-N 3.38Å; V88-F91 PolarHBondContact O-N 2.98Å; V88-F91 VanDerWaalsContact O-N 3.09Å; V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.48Å; V88-V92 PolarHBondContact O-N 2.89Å; V88-M110 HydrophobicContact CG1-CE 4.39Å; V88-I118 HydrophobicContact CG2-CB 4.46Å; V88-I118 HydrophobicContact CG2-CD1 4.08Å; V88-I118 HydrophobicContact CG2-CG1 3.88Å; V88-I118 HydrophobicContact CG2-CG2 3.93Å; V88-Y121 HydrophobicContact CG1-CD1 4.16Å; V88-Y121 HydrophobicContact CG1-CD2 4.31Å; V88-Y121 HydrophobicContact CG1-CG 3.76Å |
| 89 | N | 81.4 | Confident | 81.7 | Confident | 127 Ų | 127 | 58.1 Ų | 58.1 | 68% | 0.679 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.3 | -32.6 | 178.9 | -71.8 | -28.3 | 0 | 0 | 0 | 112.9 | A87 K93 | A87-N89 VanDerWaalsContact C-N 3.31Å; A87-N89 PolarHBondContact O-N 2.9Å; N89-K93 WeakPolarHBondContact O-CB 3.48Å; N89-K93 PolarHBondContact O-N 3.05Å |
| 90 | T | 84.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.8 | -40 | 177 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | M58 A87 V88 V92 K93 D94 | M58-T90 HydrophobicContact CE-CG2 3.62Å; M58-T90 WeakPolarHBondContact CE-OG1 3.33Å; M58-T90 HydrophobicContact CG-CG2 3.9Å; M58-T90 HydrophobicContact SD-CG2 4.04Å; A87-T90 WeakPolarHBondContact O-CA 3.46Å; A87-T90 WeakPolarHBondContact O-CB 3.34Å; A87-T90 PolarHBondContact O-N 3.32Å; V88-T90 PolarHBondContact O-N 3.38Å; T90-V92 PolarHBondContact O-N 3.14Å; T90-K93 PolarHBondContact O-N 3.29Å; T90-D94 WeakPolarHBondContact O-CB 3.35Å; T90-D94 VanDerWaalsContact O-CG 3.23Å; T90-D94 PolarHBondContact O-N 3.32Å |
| 91 | F | 86.7 | Confident | 83 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.3 | -68.1 | -60.5 | 0 | 0 | 0 | 112.3 | M58 Y70 L73 A87 V88 K93 D94 C95 A106 T109 M110 I113 | M58-F91 HydrophobicContact SD-CE1 4.37Å; M58-F91 HydrophobicContact SD-CZ 4.34Å; Y70-F91 AromaticContact CD1-CE1 3.65Å; Y70-F91 HydrophobicContact CD1-CE1 3.65Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.02Å; Y70-F91 AromaticContact CE1-CD1 3.91Å; Y70-F91 HydrophobicContact CE1-CD1 3.91Å; Y70-F91 AromaticContact CE1-CE1 3.36Å; Y70-F91 HydrophobicContact CE1-CE1 3.36Å; Y70-F91 HydrophobicContact CE1-CZ 4.24Å; Y70-F91 HydrophobicContact CE2-CD1 4.07Å; Y70-F91 AromaticContact CE2-CE1 3.77Å; Y70-F91 HydrophobicContact CE2-CE1 3.77Å; Y70-F91 AromaticContact CG-CE1 3.97Å; Y70-F91 HydrophobicContact CG-CE1 3.97Å; Y70-F91 AromaticContact CZ-CD1 3.59Å; Y70-F91 AromaticContact CZ-CE1 3.41Å; Y70-F91 VanDerWaalsContact CZ-CE1 3.41Å; L73-F91 HydrophobicContact CD1-CE2 4.21Å; L73-F91 HydrophobicContact CD1-CZ 3.7Å; A87-F91 HydrophobicContact CB-CD2 4.16Å; A87-F91 HydrophobicContact CB-CE2 3.7Å; A87-F91 HydrophobicContact CB-CZ 4.48Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.49Å; A87-F91 PolarHBondContact O-N 3.18Å; V88-F91 PolarHBondContact O-N 2.98Å; V88-F91 VanDerWaalsContact O-N 3.09Å; F91-K93 VanDerWaalsContact C-N 3.29Å; F91-K93 PolarHBondContact O-N 3.5Å; F91-D94 CarbonylContact O-C 3.41Å; F91-D94 PolarHBondContact O-N 3.38Å; F91-D94 VanDerWaalsContact O-N 3.14Å; F91-C95 PolarHBondContact O-N 3.33Å; F91-C95 PolarHBondContact O-SG 3.09Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; F91-A106 HydrophobicContact CD1-CB 4.46Å; F91-T109 HydrophobicContact CE1-CG2 3.57Å; F91-T109 HydrophobicContact CZ-CG2 3.67Å; F91-M110 HydrophobicContact CB-CE 4.44Å; F91-M110 HydrophobicContact CB-CG 3.56Å; F91-M110 HydrophobicContact CB-SD 3.5Å; F91-M110 WeakPolarHBondContact CB-SD 3.27Å; F91-M110 HydrophobicContact CD1-CG 4.28Å; F91-M110 HydrophobicContact CD2-CG 4.04Å; F91-M110 HydrophobicContact CG-CG 3.74Å; F91-M110 HydrophobicContact CG-SD 4.35Å; F91-I113 HydrophobicContact CD2-CD1 4.41Å; F91-I113 HydrophobicContact CE2-CD1 3.59Å; F91-I113 HydrophobicContact CZ-CD1 3.92Å |
| 92 | V | 87.2 | Confident | 83.7 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | V88 T90 C95 M110 P125 | V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.48Å; V88-V92 PolarHBondContact O-N 2.89Å; T90-V92 PolarHBondContact O-N 3.14Å; V92-C95 WeakPolarHBondContact O-CB 3.47Å; V92-C95 PolarHBondContact O-N 3.06Å; V92-M110 HydrophobicContact CG2-CE 4.37Å; V92-P125 HydrophobicContact CG1-CG 4.39Å; V92-P125 HydrophobicContact CG2-CG 3.97Å |
| 93 | K | 87.8 | Confident | 84.6 | Confident | 156 Ų | 156 | 51.7 Ų | 51.7 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 174.6 | -175.4 | -173.9 | 175.8 | -170.5 | 0 | 112 | N89 T90 F91 C95 E96 D97 | N89-K93 WeakPolarHBondContact O-CB 3.48Å; N89-K93 PolarHBondContact O-N 3.05Å; T90-K93 PolarHBondContact O-N 3.29Å; F91-K93 VanDerWaalsContact C-N 3.29Å; F91-K93 PolarHBondContact O-N 3.5Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 2.87Å; K93-E96 CarbonylContact O-C 3.43Å; K93-E96 PolarHBondContact O-N 3.28Å; K93-D97 PolarHBondContact O-N 3.36Å |
| 94 | D | 89.5 | Confident | 85.5 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.1 | -25.3 | -179.6 | -72.3 | -27.1 | 0 | 0 | 0 | 112.3 | K66 Y70 T90 F91 E96 D97 I102 R103 A106 | K66-D94 IonicContact NZ-OD1 3.04Å; K66-D94 PolarHBondContact NZ-OD1 2.75Å; K66-D94 IonicContact NZ-OD2 2.64Å; K66-D94 PolarHBondContact NZ-OD2 3.23Å; Y70-D94 PolarHBondContact OH-OD2 3.39Å; T90-D94 WeakPolarHBondContact O-CB 3.35Å; T90-D94 VanDerWaalsContact O-CG 3.23Å; T90-D94 PolarHBondContact O-N 3.32Å; F91-D94 CarbonylContact O-C 3.41Å; F91-D94 PolarHBondContact O-N 3.38Å; F91-D94 VanDerWaalsContact O-N 3.14Å; D94-E96 PolarHBondContact O-N 3.05Å; D94-D97 VanDerWaalsContact O-CB 3.26Å; D94-D97 WeakPolarHBondContact O-CB 3.37Å; D94-D97 PolarHBondContact O-N 3.07Å; D94-I102 HydrophobicContact CB-CG2 3.81Å; D94-R103 WeakPolarHBondContact O-CA 3.45Å; D94-A106 HydrophobicContact CB-CB 3.82Å |
| 95 | C | 90.1 | Very high | 86.3 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.5 | 168.3 | -75.3 | 0 | 0 | 0 | 0 | 113.2 | F91 V92 K93 R103 A106 P125 | F91-C95 PolarHBondContact O-N 3.33Å; F91-C95 PolarHBondContact O-SG 3.09Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; V92-C95 WeakPolarHBondContact O-CB 3.47Å; V92-C95 PolarHBondContact O-N 3.06Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 2.87Å; C95-R103 WeakPolarHBondContact O-CD 3.12Å; C95-R103 WeakPolarHBondContact O-CG 3.46Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; C95-P125 HydrophobicContact CB-CB 3.98Å |
| 96 | E | 90.8 | Very high | 87 | Confident | 119 Ų | 119 | 47.6 Ų | 47.6 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 10.8 | 175.2 | -59.9 | -174.7 | 164.2 | 0 | 0 | 112.2 | K93 D94 K128 | K93-E96 CarbonylContact O-C 3.43Å; K93-E96 PolarHBondContact O-N 3.28Å; D94-E96 PolarHBondContact O-N 3.05Å; E96-K128 IonicContact OE1-NZ 2.64Å; E96-K128 PolarHBondContact OE1-NZ 3.25Å |
| 97 | D | 90.6 | Very high | 87.9 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | trans | -64.2 | 146 | -180 | -166.9 | -88.2 | 0 | 0 | 0 | 111.5 | K93 D94 N99 I102 R103 | K93-D97 PolarHBondContact O-N 3.36Å; D94-D97 VanDerWaalsContact O-CB 3.26Å; D94-D97 WeakPolarHBondContact O-CB 3.37Å; D94-D97 PolarHBondContact O-N 3.07Å; D97-N99 PolarHBondContact O-N 2.97Å; D97-N99 VanDerWaalsContact OD1-CB 3.24Å; D97-N99 WeakPolarHBondContact OD1-CB 3.35Å; D97-N99 PolarHBondContact OD1-N 3.42Å; D97-I102 HydrophobicContact CB-CB 4.05Å; D97-I102 HydrophobicContact CB-CG2 3.74Å; D97-R103 HydrophobicContact CB-CG 4.37Å; D97-R103 WeakPolarHBondContact O-CD 3.23Å; D97-R103 WeakPolarHBondContact O-CG 3.42Å; D97-R103 PolarHBondContact O-NH1 3.16Å | ||
| 98 | P | 89.7 | Confident | 88.5 | Confident | 116 Ų | 116 | 44.1 Ų | 44.1 | 75% | 0.753 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -57.7 | -29.5 | 174.6 | -26.4 | 35.5 | 0 | 0 | 0 | 113.8 | P100 R103 | P98-P100 WeakPolarHBondContact O-CD 3.38Å; P98-R103 PolarHBondContact O-NH1 3.47Å |
| 99 | N | 89.1 | Confident | 88.7 | Confident | 58 Ų | 58 | 44 Ų | 44 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -83.7 | 116 | -179.5 | -173.6 | -17 | 0 | 0 | 0 | 111.3 | D97 L101 I102 R103 | D97-N99 PolarHBondContact O-N 2.97Å; D97-N99 VanDerWaalsContact OD1-CB 3.24Å; D97-N99 WeakPolarHBondContact OD1-CB 3.35Å; D97-N99 PolarHBondContact OD1-N 3.42Å; N99-L101 PolarHBondContact O-N 3.42Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.29Å; N99-L101 PolarHBondContact OD1-N 3.44Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 4.01Å; N99-I102 HydrophobicContact CB-CG1 4.04Å; N99-I102 PolarHBondContact O-N 2.78Å; N99-R103 PolarHBondContact O-N 2.87Å; N99-R103 VanDerWaalsContact O-N 3.15Å |
| 100 | P | 90.7 | Very high | 89 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.7 | -29.3 | -178.9 | 24.7 | -34.4 | 0 | 0 | 0 | 113.1 | P98 I102 R103 A104 D134 V137 | P98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.78Å; P100-R103 PolarHBondContact O-N 2.92Å; P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.02Å; P100-A104 PolarHBondContact O-N 2.9Å; P100-D134 HydrophobicContact CB-CB 3.75Å; P100-V137 HydrophobicContact CB-CG2 3.76Å; P100-V137 WeakPolarHBondContact O-CG2 3.35Å |
| 101 | L | 89.1 | Confident | 89 | Confident | 69 Ų | 69 | 37.4 Ų | 37.4 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -34.8 | 176.3 | -62 | 178.5 | 0 | 0 | 0 | 111.9 | L63 N99 L105 Y136 | L63-L101 HydrophobicContact CD1-CB 4.36Å; L63-L101 HydrophobicContact CD2-CB 4.36Å; L63-L101 HydrophobicContact CD2-CD1 3.96Å; N99-L101 PolarHBondContact O-N 3.42Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.29Å; N99-L101 PolarHBondContact OD1-N 3.44Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 2.73Å; L101-Y136 HydrophobicContact CD2-CD1 4.18Å; L101-Y136 HydrophobicContact CD2-CE1 4Å |
| 102 | I | 88.3 | Confident | 88.9 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.5 | -44.3 | 176.7 | -64.7 | -180 | 0 | 0 | 0 | 109.4 | L63 K66 D94 D97 N99 P100 A104 L105 A106 | L63-I102 HydrophobicContact CD1-CG1 3.84Å; K66-I102 HydrophobicContact CD-CG2 4.02Å; D94-I102 HydrophobicContact CB-CG2 3.81Å; D97-I102 HydrophobicContact CB-CB 4.05Å; D97-I102 HydrophobicContact CB-CG2 3.74Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 4.01Å; N99-I102 HydrophobicContact CB-CG1 4.04Å; N99-I102 PolarHBondContact O-N 2.78Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.78Å; I102-A104 PolarHBondContact O-N 2.97Å; I102-L105 PolarHBondContact O-N 3.32Å; I102-A106 WeakPolarHBondContact O-CB 3.35Å; I102-A106 PolarHBondContact O-N 3.21Å |
| 103 | R | 92.7 | Very high | 88.5 | Confident | 36 Ų | 36 | 36.4 Ų | 36.4 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.3 | -51.3 | 175.3 | -61 | -158.7 | -66.8 | -102.2 | 8.2 | 112.1 | D94 C95 D97 P98 N99 P100 L105 A106 V107 D132 V137 | D94-R103 WeakPolarHBondContact O-CA 3.45Å; C95-R103 WeakPolarHBondContact O-CD 3.12Å; C95-R103 WeakPolarHBondContact O-CG 3.46Å; D97-R103 HydrophobicContact CB-CG 4.37Å; D97-R103 WeakPolarHBondContact O-CD 3.23Å; D97-R103 WeakPolarHBondContact O-CG 3.42Å; D97-R103 PolarHBondContact O-NH1 3.16Å; P98-R103 PolarHBondContact O-NH1 3.47Å; N99-R103 PolarHBondContact O-N 2.87Å; N99-R103 VanDerWaalsContact O-N 3.15Å; P100-R103 PolarHBondContact O-N 2.92Å; R103-L105 PolarHBondContact O-N 3.49Å; R103-A106 PolarHBondContact O-N 3.43Å; R103-V107 PolarHBondContact O-N 2.96Å; R103-V107 VanDerWaalsContact O-N 3.09Å; R103-D132 IonicContact CZ-OD1 3.41Å; R103-D132 IonicContact CZ-OD2 2.94Å; R103-D132 IonicContact NE-OD1 3.17Å; R103-D132 IonicContact NE-OD2 3.41Å; R103-D132 PolarHBondContact NE-OD2 3.49Å; R103-D132 IonicContact NH2-OD1 2.77Å; R103-D132 PolarHBondContact NH2-OD1 3.15Å; R103-D132 IonicContact NH2-OD2 2.69Å; R103-D132 PolarHBondContact NH2-OD2 3.48Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å |
| 104 | A | 90.7 | Very high | 88 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P100 I102 A106 V107 R108 Y136 V137 T140 | P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.02Å; P100-A104 PolarHBondContact O-N 2.9Å; I102-A104 PolarHBondContact O-N 2.97Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3Å; A104-V107 WeakPolarHBondContact O-CG1 3.28Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.37Å; A104-R108 PolarHBondContact O-N 3.32Å; A104-Y136 HydrophobicContact CB-CD1 3.59Å; A104-Y136 HydrophobicContact CB-CE1 3.62Å; A104-V137 HydrophobicContact CB-CG2 4.17Å; A104-T140 HydrophobicContact CB-CG2 4.2Å; A104-T140 WeakPolarHBondContact O-CG2 3.34Å |
| 105 | L | 88.5 | Confident | 87.3 | Confident | 29 Ų | 29 | 35 Ų | 35 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 178.4 | -178.6 | 67 | 0 | 0 | 0 | 111.5 | L63 K67 Y70 L101 I102 R103 T109 | L63-L105 HydrophobicContact CD1-CD2 4.23Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.28Å; K67-L105 HydrophobicContact CG-CD2 3.6Å; Y70-L105 HydrophobicContact CD2-CD1 4.17Å; Y70-L105 HydrophobicContact CD2-CD2 3.78Å; Y70-L105 HydrophobicContact CD2-CG 3.53Å; Y70-L105 HydrophobicContact CE2-CB 4.42Å; Y70-L105 HydrophobicContact CE2-CD2 3.91Å; Y70-L105 HydrophobicContact CE2-CG 3.69Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 2.73Å; I102-L105 PolarHBondContact O-N 3.32Å; R103-L105 PolarHBondContact O-N 3.49Å; L105-T109 VanDerWaalsContact O-CB 3.31Å; L105-T109 WeakPolarHBondContact O-CB 3.41Å; L105-T109 PolarHBondContact O-N 2.86Å; L105-T109 PolarHBondContact O-OG1 3.49Å |
| 106 | A | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -52.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y70 F91 D94 C95 I102 R103 A104 R108 T109 M110 | Y70-A106 HydrophobicContact CE2-CB 4.4Å; F91-A106 HydrophobicContact CD1-CB 4.46Å; D94-A106 HydrophobicContact CB-CB 3.82Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; I102-A106 WeakPolarHBondContact O-CB 3.35Å; I102-A106 PolarHBondContact O-N 3.21Å; R103-A106 PolarHBondContact O-N 3.43Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.44Å; A106-T109 PolarHBondContact O-N 3.37Å; A106-T109 VanDerWaalsContact O-N 3.17Å; A106-M110 WeakPolarHBondContact O-CG 3.42Å; A106-M110 PolarHBondContact O-N 2.96Å |
| 107 | V | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | R103 A104 G111 L122 L126 C129 T140 C144 | R103-V107 PolarHBondContact O-N 2.96Å; R103-V107 VanDerWaalsContact O-N 3.09Å; A104-V107 WeakPolarHBondContact O-CG1 3.28Å; V107-G111 PolarHBondContact O-N 3.24Å; V107-G111 VanDerWaalsContact O-N 3.12Å; V107-L122 HydrophobicContact CG2-CD1 3.99Å; V107-L126 HydrophobicContact CG2-CB 4.45Å; V107-L126 HydrophobicContact CG2-CD1 3.84Å; V107-C129 HydrophobicContact CG1-CB 4.41Å; V107-C129 HydrophobicContact CG2-CB 4.3Å; V107-T140 HydrophobicContact CG1-CG2 4.16Å; V107-C144 HydrophobicContact CG2-CB 4.41Å; V107-C144 PolarHBondContact O-SG 2.88Å |
| 108 | R | 89.1 | Confident | 85 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 174.5 | 178.4 | 175.8 | 170.1 | 173.5 | -2.8 | 111.7 | A104 A106 G111 C112 T140 D628 N631 | A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.37Å; A104-R108 PolarHBondContact O-N 3.32Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.44Å; R108-G111 PolarHBondContact O-N 3.4Å; R108-C112 PolarHBondContact O-N 3.29Å; R108-C112 PolarHBondContact O-SG 3.12Å; R108-T140 HydrophobicContact CB-CG2 3.69Å; R108-T140 HydrophobicContact CG-CG2 4.46Å; R108-D628 PolarHBondContact NH2-O 3.09Å; R108-N631 PolarHBondContact NH1-O 3.24Å; R108-N631 VanDerWaalsContact NH1-O 3.11Å |
| 109 | T | 86.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | -177.5 | -58 | 0 | 0 | 0 | 0 | 110.7 | Y70 M74 F91 L105 A106 G111 C112 I113 | Y70-T109 HydrophobicContact CD2-CG2 4Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.1Å; Y70-T109 HydrophobicContact CG-CG2 4.03Å; M74-T109 HydrophobicContact CG-CG2 3.8Å; M74-T109 HydrophobicContact SD-CG2 4.22Å; F91-T109 HydrophobicContact CE1-CG2 3.57Å; F91-T109 HydrophobicContact CZ-CG2 3.67Å; L105-T109 VanDerWaalsContact O-CB 3.31Å; L105-T109 WeakPolarHBondContact O-CB 3.41Å; L105-T109 PolarHBondContact O-N 2.86Å; L105-T109 PolarHBondContact O-OG1 3.49Å; A106-T109 PolarHBondContact O-N 3.37Å; A106-T109 VanDerWaalsContact O-N 3.17Å; T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 2.89Å; T109-C112 PolarHBondContact O-N 3.06Å; T109-C112 VanDerWaalsContact O-N 3.08Å; T109-I113 HydrophobicContact CG2-CD1 4.38Å; T109-I113 WeakPolarHBondContact O-CG1 3.48Å; T109-I113 PolarHBondContact O-N 3.13Å |
| 110 | M | 86.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 173.9 | -69.9 | -177.3 | 77.3 | 0 | 0 | 112 | V88 F91 V92 A106 C112 I113 L122 | V88-M110 HydrophobicContact CG1-CE 4.39Å; F91-M110 HydrophobicContact CB-CE 4.44Å; F91-M110 HydrophobicContact CB-CG 3.56Å; F91-M110 HydrophobicContact CB-SD 3.5Å; F91-M110 WeakPolarHBondContact CB-SD 3.27Å; F91-M110 HydrophobicContact CD1-CG 4.28Å; F91-M110 HydrophobicContact CD2-CG 4.04Å; F91-M110 HydrophobicContact CG-CG 3.74Å; F91-M110 HydrophobicContact CG-SD 4.35Å; V92-M110 HydrophobicContact CG2-CE 4.37Å; A106-M110 WeakPolarHBondContact O-CG 3.42Å; A106-M110 PolarHBondContact O-N 2.96Å; M110-C112 VanDerWaalsContact C-N 3.28Å; M110-C112 PolarHBondContact O-N 3.37Å; M110-I113 PolarHBondContact O-N 3.27Å; M110-L122 HydrophobicContact CB-CD1 3.63Å; M110-L122 HydrophobicContact CB-CD2 4.41Å; M110-L122 HydrophobicContact CB-CG 4.44Å; M110-L122 HydrophobicContact CE-CB 4.1Å; M110-L122 HydrophobicContact CE-CD1 4.31Å; M110-L122 HydrophobicContact SD-CD1 4.15Å |
| 111 | G | 84.8 | Confident | 84 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -28 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V107 R108 T109 C144 | V107-G111 PolarHBondContact O-N 3.24Å; V107-G111 VanDerWaalsContact O-N 3.12Å; R108-G111 PolarHBondContact O-N 3.4Å; T109-G111 VanDerWaalsContact C-N 3.31Å; T109-G111 PolarHBondContact O-N 2.89Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å |
| 112 | C | 84.2 | Confident | 84 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -82.2 | -17.9 | 178.2 | -69 | 0 | 0 | 0 | 0 | 114.2 | M74 R108 T109 M110 R114 K147 | M74-C112 HydrophobicContact CG-CB 4.14Å; M74-C112 HydrophobicContact SD-CB 3.55Å; M74-C112 VanDerWaalsContact SD-CB 3.55Å; R108-C112 PolarHBondContact O-N 3.29Å; R108-C112 PolarHBondContact O-SG 3.12Å; T109-C112 PolarHBondContact O-N 3.06Å; T109-C112 VanDerWaalsContact O-N 3.08Å; M110-C112 VanDerWaalsContact C-N 3.28Å; M110-C112 PolarHBondContact O-N 3.37Å; C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 3.48Å; C112-K147 PolarHBondContact SG-NZ 2.95Å |
| 113 | I | 78.6 | Confident | 84.1 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -67 | -25.6 | -173.5 | -79.6 | 166.9 | 0 | 0 | 0 | 112.4 | A77 F91 T109 M110 V115 I118 | A77-I113 HydrophobicContact CB-CB 4.44Å; A77-I113 HydrophobicContact CB-CG1 4.16Å; A77-I113 HydrophobicContact CB-CG2 3.75Å; F91-I113 HydrophobicContact CD2-CD1 4.41Å; F91-I113 HydrophobicContact CE2-CD1 3.59Å; F91-I113 HydrophobicContact CZ-CD1 3.92Å; T109-I113 HydrophobicContact CG2-CD1 4.38Å; T109-I113 WeakPolarHBondContact O-CG1 3.48Å; T109-I113 PolarHBondContact O-N 3.13Å; M110-I113 PolarHBondContact O-N 3.27Å; I113-V115 VanDerWaalsContact C-N 3.28Å; I113-V115 HydrophobicContact CG2-CB 4.01Å; I113-V115 HydrophobicContact CG2-CG2 3.74Å; I113-V115 PolarHBondContact O-N 3.49Å; I113-I118 HydrophobicContact CG2-CD1 3.62Å; I113-I118 HydrophobicContact CG2-CG2 4.5Å |
| 114 | R | 76.8 | Confident | 84 | Confident | 121 Ų | 121 | 42.4 Ų | 42.4 | 46% | 0.457 | 20% | 0.198 | S | C | . | . | trans | 47.4 | 45.8 | 174.4 | -63.2 | -174.6 | 175 | -145.5 | -7.7 | 113.6 | C112 D150 I151 | C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 3.48Å; R114-D150 IonicContact CZ-OD2 3.89Å; R114-D150 IonicContact NH1-OD2 3.77Å; R114-D150 PolarHBondContact NH1-OD2 3.11Å; R114-D150 IonicContact NH2-OD2 3.35Å; R114-D150 PolarHBondContact NH2-OD2 3.48Å; R114-I151 HydrophobicContact CB-CD1 4.25Å; R114-I151 HydrophobicContact CB-CG1 4.38Å; R114-I151 HydrophobicContact CG-CD1 3.9Å; R114-I151 HydrophobicContact CG-CG1 4.03Å | ||
| 115 | V | 76.3 | Confident | 84.1 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | trans | -119.2 | 120.9 | 174 | 174.3 | 0 | 0 | 0 | 0 | 108 | P81 I113 K117 I118 T119 | P81-V115 HydrophobicContact CB-CG1 3.76Å; P81-V115 HydrophobicContact CB-CG2 4.26Å; I113-V115 VanDerWaalsContact C-N 3.28Å; I113-V115 HydrophobicContact CG2-CB 4.01Å; I113-V115 HydrophobicContact CG2-CG2 3.74Å; I113-V115 PolarHBondContact O-N 3.49Å; V115-K117 VanDerWaalsContact C-N 3.25Å; V115-K117 HydrophobicContact CG1-CB 4.25Å; V115-K117 PolarHBondContact O-N 3.39Å; V115-I118 HydrophobicContact CB-CB 4.35Å; V115-I118 HydrophobicContact CB-CD1 4.04Å; V115-I118 HydrophobicContact CB-CG1 4.2Å; V115-I118 HydrophobicContact CG1-CD1 4.23Å; V115-I118 HydrophobicContact CG1-CG1 4.17Å; V115-I118 WeakPolarHBondContact O-CA 3.4Å; V115-I118 WeakPolarHBondContact O-CB 3.33Å; V115-I118 PolarHBondContact O-N 3.27Å; V115-T119 PolarHBondContact O-N 2.89Å | ||
| 116 | D | 73.8 | Confident | 84.3 | Confident | 117 Ų | 117 | 41.4 Ų | 41.4 | 63% | 0.626 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -57 | -37.5 | -174.8 | -55.5 | -27.3 | 0 | 0 | 0 | 112.8 | I118 T119 | D116-I118 PolarHBondContact O-N 3.04Å; D116-I118 VanDerWaalsContact O-N 3.1Å; D116-T119 PolarHBondContact O-N 3.38Å; D116-T119 PolarHBondContact O-OG1 3.46Å |
| 117 | K | 74.3 | Confident | 84.6 | Confident | 118 Ų | 118 | 44.6 Ų | 44.6 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -17.9 | 176.1 | -61.5 | -175.9 | -173.9 | 177.6 | 0 | 113.6 | D82 I85 V115 Y121 | D82-K117 IonicContact OD1-NZ 2.88Å; D82-K117 PolarHBondContact OD1-NZ 2.93Å; I85-K117 HydrophobicContact CD1-CB 4.38Å; I85-K117 HydrophobicContact CD1-CD 3.98Å; V115-K117 VanDerWaalsContact C-N 3.25Å; V115-K117 HydrophobicContact CG1-CB 4.25Å; V115-K117 PolarHBondContact O-N 3.39Å; K117-Y121 WeakPolarHBondContact O-CD2 3.39Å; K117-Y121 WeakPolarHBondContact O-CE2 3.31Å |
| 118 | I | 74.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.2 | -21.5 | -177.1 | -63.9 | 177.3 | 0 | 0 | 0 | 111.5 | A84 I85 V88 I113 V115 D116 E120 Y121 L122 | A84-I118 HydrophobicContact CB-CD1 3.71Å; I85-I118 HydrophobicContact CG1-CG1 4.45Å; V88-I118 HydrophobicContact CG2-CB 4.46Å; V88-I118 HydrophobicContact CG2-CD1 4.08Å; V88-I118 HydrophobicContact CG2-CG1 3.88Å; V88-I118 HydrophobicContact CG2-CG2 3.93Å; I113-I118 HydrophobicContact CG2-CD1 3.62Å; I113-I118 HydrophobicContact CG2-CG2 4.5Å; V115-I118 HydrophobicContact CB-CB 4.35Å; V115-I118 HydrophobicContact CB-CD1 4.04Å; V115-I118 HydrophobicContact CB-CG1 4.2Å; V115-I118 HydrophobicContact CG1-CD1 4.23Å; V115-I118 HydrophobicContact CG1-CG1 4.17Å; V115-I118 WeakPolarHBondContact O-CA 3.4Å; V115-I118 WeakPolarHBondContact O-CB 3.33Å; V115-I118 PolarHBondContact O-N 3.27Å; D116-I118 PolarHBondContact O-N 3.04Å; D116-I118 VanDerWaalsContact O-N 3.1Å; I118-E120 PolarHBondContact O-N 3.4Å; I118-Y121 PolarHBondContact O-N 3.44Å; I118-Y121 VanDerWaalsContact O-N 3.14Å; I118-L122 PolarHBondContact O-N 2.95Å |
| 119 | T | 80.3 | Confident | 85 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | -174.8 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | V115 D116 Y121 L122 C123 L148 I151 | V115-T119 PolarHBondContact O-N 2.89Å; D116-T119 PolarHBondContact O-N 3.38Å; D116-T119 PolarHBondContact O-OG1 3.46Å; T119-Y121 VanDerWaalsContact C-N 3.29Å; T119-Y121 PolarHBondContact O-N 2.98Å; T119-L122 WeakPolarHBondContact O-CB 3.3Å; T119-L122 PolarHBondContact O-N 3.01Å; T119-C123 PolarHBondContact O-N 2.67Å; T119-L148 HydrophobicContact CG2-CD1 3.97Å; T119-I151 HydrophobicContact CG2-CB 4.38Å; T119-I151 HydrophobicContact CG2-CD1 4.27Å; T119-I151 HydrophobicContact CG2-CG2 3.67Å |
| 120 | E | 82.6 | Confident | 85.4 | Confident | 143 Ų | 143 | 48 Ų | 48 | 67% | 0.668 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.6 | -38.8 | 176.5 | -66.7 | -177.6 | -174.7 | 0 | 0 | 112 | I118 L122 C123 | I118-E120 PolarHBondContact O-N 3.4Å; E120-L122 PolarHBondContact O-N 3.01Å; E120-C123 PolarHBondContact O-N 3.32Å |
| 121 | Y | 84.9 | Confident | 85.8 | Confident | 126 Ų | 126 | 54.4 Ų | 54.4 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.8 | -16.4 | 178 | -62.5 | -79.9 | 0 | 0 | 0 | 113.5 | V88 K117 I118 T119 P125 | V88-Y121 HydrophobicContact CG1-CD1 4.16Å; V88-Y121 HydrophobicContact CG1-CD2 4.31Å; V88-Y121 HydrophobicContact CG1-CG 3.76Å; K117-Y121 WeakPolarHBondContact O-CD2 3.39Å; K117-Y121 WeakPolarHBondContact O-CE2 3.31Å; I118-Y121 PolarHBondContact O-N 3.44Å; I118-Y121 VanDerWaalsContact O-N 3.14Å; T119-Y121 VanDerWaalsContact C-N 3.29Å; T119-Y121 PolarHBondContact O-N 2.98Å; Y121-P125 WeakPolarHBondContact O-CD 3.06Å; Y121-P125 WeakPolarHBondContact O-CG 3.4Å |
| 122 | L | 89.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.1 | -26.7 | 175.1 | 175.6 | 57.8 | 0 | 0 | 0 | 112 | V107 M110 I118 T119 E120 D124 P125 L126 L148 | V107-L122 HydrophobicContact CG2-CD1 3.99Å; M110-L122 HydrophobicContact CB-CD1 3.63Å; M110-L122 HydrophobicContact CB-CD2 4.41Å; M110-L122 HydrophobicContact CB-CG 4.44Å; M110-L122 HydrophobicContact CE-CB 4.1Å; M110-L122 HydrophobicContact CE-CD1 4.31Å; M110-L122 HydrophobicContact SD-CD1 4.15Å; I118-L122 PolarHBondContact O-N 2.95Å; T119-L122 WeakPolarHBondContact O-CB 3.3Å; T119-L122 PolarHBondContact O-N 3.01Å; E120-L122 PolarHBondContact O-N 3.01Å; L122-D124 PolarHBondContact O-N 2.88Å; L122-P125 WeakPolarHBondContact O-CD 3.34Å; L122-L126 HydrophobicContact CD1-CB 4.12Å; L122-L126 HydrophobicContact CG-CB 4.24Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 PolarHBondContact O-N 3Å; L122-L148 HydrophobicContact CD2-CD1 4.38Å |
| 123 | C | 90.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | -173.3 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | T119 E120 L126 R127 F161 | T119-C123 PolarHBondContact O-N 2.67Å; E120-C123 PolarHBondContact O-N 3.32Å; C123-L126 PolarHBondContact O-N 3.19Å; C123-R127 WeakPolarHBondContact O-CB 3.33Å; C123-R127 PolarHBondContact O-N 3.3Å; C123-F161 HydrophobicContact CB-CE2 4.14Å; C123-F161 HydrophobicContact CB-CZ 3.99Å; C123-F161 WeakPolarHBondContact O-CZ 3.31Å |
| 124 | D | 90.7 | Very high | 87.5 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.8 | -50.6 | -178.6 | -74.6 | -24.8 | 0 | 0 | 0 | 113 | L122 L126 R127 K128 | L122-D124 PolarHBondContact O-N 2.88Å; D124-L126 VanDerWaalsContact C-N 3.35Å; D124-L126 PolarHBondContact O-N 3.37Å; D124-R127 PolarHBondContact O-N 3.08Å; D124-K128 PolarHBondContact O-N 3.07Å |
| 125 | P | 92.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 172.3 | -25.9 | 32.7 | 0 | 0 | 0 | 113.4 | V92 C95 Y121 L122 R127 K128 C129 | V92-P125 HydrophobicContact CG1-CG 4.39Å; V92-P125 HydrophobicContact CG2-CG 3.97Å; C95-P125 HydrophobicContact CB-CB 3.98Å; Y121-P125 WeakPolarHBondContact O-CD 3.06Å; Y121-P125 WeakPolarHBondContact O-CG 3.4Å; L122-P125 WeakPolarHBondContact O-CD 3.34Å; P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3.02Å; P125-K128 PolarHBondContact O-N 2.9Å; P125-C129 WeakPolarHBondContact O-CB 3.3Å; P125-C129 PolarHBondContact O-N 3.29Å; P125-C129 PolarHBondContact O-SG 2.85Å |
| 126 | L | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | -179.1 | -179.4 | 59.2 | 0 | 0 | 0 | 111.2 | V107 L122 C123 D124 K128 C129 L130 A141 C144 V145 L148 F161 | V107-L126 HydrophobicContact CG2-CB 4.45Å; V107-L126 HydrophobicContact CG2-CD1 3.84Å; L122-L126 HydrophobicContact CD1-CB 4.12Å; L122-L126 HydrophobicContact CG-CB 4.24Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 PolarHBondContact O-N 3Å; C123-L126 PolarHBondContact O-N 3.19Å; D124-L126 VanDerWaalsContact C-N 3.35Å; D124-L126 PolarHBondContact O-N 3.37Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.36Å; L126-C129 PolarHBondContact O-N 3.22Å; L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.3Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-A141 HydrophobicContact CD1-CB 3.98Å; L126-A141 WeakPolarHBondContact CD1-O 3.36Å; L126-C144 HydrophobicContact CD1-CB 3.78Å; L126-V145 HydrophobicContact CD1-CG2 4.34Å; L126-V145 HydrophobicContact CD2-CG2 4.09Å; L126-V145 HydrophobicContact CG-CG2 4.43Å; L126-L148 HydrophobicContact CD2-CD2 3.78Å; L126-F161 HydrophobicContact CB-CE1 4.25Å; L126-F161 HydrophobicContact CB-CZ 4.42Å; L126-F161 HydrophobicContact CD2-CD1 4.28Å; L126-F161 HydrophobicContact CD2-CE1 4.04Å; L126-F161 HydrophobicContact CD2-CZ 4.21Å; L126-F161 HydrophobicContact CG-CD1 4.4Å; L126-F161 HydrophobicContact CG-CE1 3.97Å; L126-F161 HydrophobicContact CG-CZ 4.44Å |
| 127 | R | 94.2 | Very high | 90.1 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 177.8 | -166.8 | 180 | -58.3 | -78.6 | 10.5 | 112.5 | C123 D124 P125 Q159 F161 | C123-R127 WeakPolarHBondContact O-CB 3.33Å; C123-R127 PolarHBondContact O-N 3.3Å; D124-R127 PolarHBondContact O-N 3.08Å; P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3.02Å; R127-Q159 VanDerWaalsContact CZ-O 3.31Å; R127-Q159 PolarHBondContact NH1-O 3.27Å; R127-Q159 PolarHBondContact NH2-O 3.05Å; R127-F161 HydrophobicContact CB-CE1 3.96Å; R127-F161 HydrophobicContact CB-CZ 4.45Å |
| 128 | K | 94 | Very high | 91.1 | Very high | 121 Ų | 121 | 52.7 Ų | 52.7 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.4 | -46.2 | 174 | -70.4 | 174.4 | 177.5 | 172.5 | 0 | 110.9 | E96 D124 P125 L126 L130 K131 D132 | E96-K128 IonicContact OE1-NZ 2.64Å; E96-K128 PolarHBondContact OE1-NZ 3.25Å; D124-K128 PolarHBondContact O-N 3.07Å; P125-K128 PolarHBondContact O-N 2.9Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.36Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.45Å; K128-K131 CarbonylContact O-C 3.57Å; K128-K131 PolarHBondContact O-N 3.09Å; K128-D132 PolarHBondContact O-N 3.26Å; K128-D132 VanDerWaalsContact O-N 3.14Å |
| 129 | C | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -30.8 | -179.3 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | V107 P125 L126 K131 D132 V137 A141 | V107-C129 HydrophobicContact CG1-CB 4.41Å; V107-C129 HydrophobicContact CG2-CB 4.3Å; P125-C129 WeakPolarHBondContact O-CB 3.3Å; P125-C129 PolarHBondContact O-N 3.29Å; P125-C129 PolarHBondContact O-SG 2.85Å; L126-C129 PolarHBondContact O-N 3.22Å; C129-K131 PolarHBondContact O-N 3.39Å; C129-D132 WeakPolarHBondContact O-CB 3.44Å; C129-D132 PolarHBondContact O-N 3.18Å; C129-V137 HydrophobicContact CB-CG1 3.74Å; C129-A141 HydrophobicContact CB-CB 3.79Å |
| 130 | L | 95.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.5 | -23.7 | 173 | -73.4 | 167.1 | 0 | 0 | 0 | 112.6 | L126 K128 R138 A141 V145 F161 Q164 L168 | L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.3Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3.4Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.45Å; L130-R138 WeakPolarHBondContact O-CD 3.38Å; L130-A141 HydrophobicContact CD2-CB 3.72Å; L130-A141 HydrophobicContact CG-CB 3.92Å; L130-V145 HydrophobicContact CD1-CG2 4.02Å; L130-V145 HydrophobicContact CD2-CG2 4.05Å; L130-F161 HydrophobicContact CD1-CD1 3.63Å; L130-F161 HydrophobicContact CD1-CE1 4.09Å; L130-Q164 HydrophobicContact CD1-CB 4.05Å; L130-Q164 VanDerWaalsContact CD1-OE1 3.28Å; L130-L168 HydrophobicContact CD2-CD1 3.58Å |
| 131 | K | 94.6 | Very high | 93.2 | Very high | 141 Ų | 141 | 47.2 Ų | 47.2 | 61% | 0.613 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 18 | 178.1 | -59.4 | -174 | 179.6 | -170.8 | 0 | 112.7 | K128 C129 | K128-K131 CarbonylContact O-C 3.57Å; K128-K131 PolarHBondContact O-N 3.09Å; C129-K131 PolarHBondContact O-N 3.39Å |
| 132 | D | 96 | Very high | 93.7 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | trans | -63.4 | 151.8 | -179.7 | -160.2 | -72.6 | 0 | 0 | 0 | 110.9 | R103 K128 C129 D134 V137 R138 | R103-D132 IonicContact CZ-OD1 3.41Å; R103-D132 IonicContact CZ-OD2 2.94Å; R103-D132 IonicContact NE-OD1 3.17Å; R103-D132 IonicContact NE-OD2 3.41Å; R103-D132 PolarHBondContact NE-OD2 3.49Å; R103-D132 IonicContact NH2-OD1 2.77Å; R103-D132 PolarHBondContact NH2-OD1 3.15Å; R103-D132 IonicContact NH2-OD2 2.69Å; R103-D132 PolarHBondContact NH2-OD2 3.48Å; K128-D132 PolarHBondContact O-N 3.26Å; K128-D132 VanDerWaalsContact O-N 3.14Å; C129-D132 WeakPolarHBondContact O-CB 3.44Å; C129-D132 PolarHBondContact O-N 3.18Å; D132-D134 VanDerWaalsContact C-N 3.27Å; D132-D134 PolarHBondContact O-N 3.12Å; D132-D134 PolarHBondContact OD1-N 3.45Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.68Å; D132-V137 WeakPolarHBondContact OD2-CG1 3.05Å; D132-R138 HydrophobicContact CB-CG 4.17Å; D132-R138 VanDerWaalsContact O-CD 3.25Å; D132-R138 WeakPolarHBondContact O-CD 3.25Å; D132-R138 WeakPolarHBondContact O-CG 3.34Å; D132-R138 PolarHBondContact O-NH1 3.37Å | ||
| 133 | E | 93.4 | Very high | 93.8 | Very high | 182 Ų | 182 | 43.6 Ų | 43.6 | 85% | 0.85 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -65.5 | -35.2 | 176.1 | -62.1 | -177.5 | 165.7 | 0 | 0 | 111.3 | R138 | E133-R138 PolarHBondContact O-NH1 3.27Š|
| 134 | D | 95.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -85.2 | 123 | -176 | -169.6 | -71.7 | 0 | 0 | 0 | 111.9 | P100 D132 Y136 V137 R138 | P100-D134 HydrophobicContact CB-CB 3.75Å; D132-D134 VanDerWaalsContact C-N 3.27Å; D132-D134 PolarHBondContact O-N 3.12Å; D132-D134 PolarHBondContact OD1-N 3.45Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 2.76Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.34Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.47Å; D134-Y136 PolarHBondContact OD1-N 3.26Å; D134-V137 HydrophobicContact CB-CG2 4.02Å; D134-V137 PolarHBondContact O-N 3.32Å; D134-V137 VanDerWaalsContact O-N 3.12Å; D134-V137 PolarHBondContact OD1-N 3.31Å; D134-R138 PolarHBondContact O-N 2.96Å |
| 135 | P | 92.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -29.1 | 179.5 | -23.1 | 33.1 | 0 | 0 | 0 | 114.4 | V137 R138 K139 N173 V176 | P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 3.34Å; P135-R138 PolarHBondContact O-N 3.12Å; P135-K139 PolarHBondContact O-N 3.47Å; P135-N173 HydrophobicContact CB-CB 3.79Å; P135-N173 WeakPolarHBondContact CB-ND2 3.45Å; P135-N173 HydrophobicContact CG-CB 4.1Å; P135-V176 HydrophobicContact CB-CG2 3.89Å; P135-V176 VanDerWaalsContact O-CG2 3.32Å; P135-V176 WeakPolarHBondContact O-CG2 3.45Å |
| 136 | Y | 92.1 | Very high | 94.1 | Very high | 48 Ų | 48 | 38 Ų | 38 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 176.9 | -171.9 | -85.5 | 0 | 0 | 0 | 111.3 | L101 A104 D134 K139 T140 | L101-Y136 HydrophobicContact CD2-CD1 4.18Å; L101-Y136 HydrophobicContact CD2-CE1 4Å; A104-Y136 HydrophobicContact CB-CD1 3.59Å; A104-Y136 HydrophobicContact CB-CE1 3.62Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 2.76Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.34Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.47Å; D134-Y136 PolarHBondContact OD1-N 3.26Å; Y136-K139 HydrophobicContact CD2-CD 4.43Å; Y136-K139 VanDerWaalsContact CE2-CE 3.43Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.3Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.37Å; Y136-T140 WeakPolarHBondContact O-CB 3.41Å; Y136-T140 PolarHBondContact O-N 3.22Å; Y136-T140 PolarHBondContact O-OG1 3.4Å |
| 137 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -47 | 174.3 | -177 | 0 | 0 | 0 | 0 | 110.1 | P100 R103 A104 C129 D132 D134 P135 K139 T140 A141 | P100-V137 HydrophobicContact CB-CG2 3.76Å; P100-V137 WeakPolarHBondContact O-CG2 3.35Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å; A104-V137 HydrophobicContact CB-CG2 4.17Å; C129-V137 HydrophobicContact CB-CG1 3.74Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.68Å; D132-V137 WeakPolarHBondContact OD2-CG1 3.05Å; D134-V137 HydrophobicContact CB-CG2 4.02Å; D134-V137 PolarHBondContact O-N 3.32Å; D134-V137 VanDerWaalsContact O-N 3.12Å; D134-V137 PolarHBondContact OD1-N 3.31Å; P135-V137 VanDerWaalsContact C-N 3.3Å; P135-V137 PolarHBondContact O-N 3.34Å; V137-K139 PolarHBondContact O-N 3.16Å; V137-T140 PolarHBondContact O-N 3.39Å; V137-T140 VanDerWaalsContact O-N 3.15Å; V137-A141 WeakPolarHBondContact O-CB 3.46Å; V137-A141 PolarHBondContact O-N 3.03Å |
| 138 | R | 96.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 178.8 | -64.3 | -160.6 | -59.8 | -78.8 | 2.5 | 113.1 | L130 D132 E133 D134 P135 T140 A141 A142 D171 V176 | L130-R138 WeakPolarHBondContact O-CD 3.38Å; D132-R138 HydrophobicContact CB-CG 4.17Å; D132-R138 VanDerWaalsContact O-CD 3.25Å; D132-R138 WeakPolarHBondContact O-CD 3.25Å; D132-R138 WeakPolarHBondContact O-CG 3.34Å; D132-R138 PolarHBondContact O-NH1 3.37Å; E133-R138 PolarHBondContact O-NH1 3.27Å; D134-R138 PolarHBondContact O-N 2.96Å; P135-R138 PolarHBondContact O-N 3.12Å; R138-T140 VanDerWaalsContact C-N 3.28Å; R138-T140 PolarHBondContact O-N 3.05Å; R138-A141 WeakPolarHBondContact O-CB 3.47Å; R138-A141 PolarHBondContact O-N 3.39Å; R138-A142 PolarHBondContact O-N 3.4Å; R138-D171 IonicContact CZ-OD1 2.79Å; R138-D171 IonicContact CZ-OD2 3.33Å; R138-D171 IonicContact NE-OD1 3.7Å; R138-D171 IonicContact NE-OD2 2.76Å; R138-D171 PolarHBondContact NE-OD2 2.88Å; R138-D171 IonicContact NH2-OD1 3.82Å; R138-D171 PolarHBondContact NH2-OD1 2.89Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.45Å; R138-V176 HydrophobicContact CB-CG1 4.08Å; R138-V176 HydrophobicContact CB-CG2 4.04Å |
| 139 | K | 92.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 11% | 0.109 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.4 | 76.8 | 179.2 | -175.2 | -178.1 | 0 | 111.6 | P135 Y136 V137 A142 V143 M175 V176 N179 | P135-K139 PolarHBondContact O-N 3.47Å; Y136-K139 HydrophobicContact CD2-CD 4.43Å; Y136-K139 VanDerWaalsContact CE2-CE 3.43Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.3Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.37Å; V137-K139 PolarHBondContact O-N 3.16Å; K139-A142 PolarHBondContact O-N 2.73Å; K139-V143 PolarHBondContact O-N 2.94Å; K139-M175 HydrophobicContact CD-CB 4.33Å; K139-V176 HydrophobicContact CB-CG2 4.17Å; K139-N179 HydrophobicContact CB-CB 4.22Å |
| 140 | T | 93.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.2 | -37.6 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | A104 V107 R108 Y136 V137 R138 V143 C144 | A104-T140 HydrophobicContact CB-CG2 4.2Å; A104-T140 WeakPolarHBondContact O-CG2 3.34Å; V107-T140 HydrophobicContact CG1-CG2 4.16Å; R108-T140 HydrophobicContact CB-CG2 3.69Å; R108-T140 HydrophobicContact CG-CG2 4.46Å; Y136-T140 WeakPolarHBondContact O-CB 3.41Å; Y136-T140 PolarHBondContact O-N 3.22Å; Y136-T140 PolarHBondContact O-OG1 3.4Å; V137-T140 PolarHBondContact O-N 3.39Å; V137-T140 VanDerWaalsContact O-N 3.15Å; R138-T140 VanDerWaalsContact C-N 3.28Å; R138-T140 PolarHBondContact O-N 3.05Å; T140-V143 PolarHBondContact O-N 3.44Å; T140-C144 PolarHBondContact O-N 3.26Å; T140-C144 VanDerWaalsContact O-N 3.09Å |
| 141 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L126 C129 L130 V137 R138 V143 C144 V145 | L126-A141 HydrophobicContact CD1-CB 3.98Å; L126-A141 WeakPolarHBondContact CD1-O 3.36Å; C129-A141 HydrophobicContact CB-CB 3.79Å; L130-A141 HydrophobicContact CD2-CB 3.72Å; L130-A141 HydrophobicContact CG-CB 3.92Å; V137-A141 WeakPolarHBondContact O-CB 3.46Å; V137-A141 PolarHBondContact O-N 3.03Å; R138-A141 WeakPolarHBondContact O-CB 3.47Å; R138-A141 PolarHBondContact O-N 3.39Å; A141-V143 PolarHBondContact O-N 2.95Å; A141-C144 WeakPolarHBondContact O-CA 3.34Å; A141-C144 VanDerWaalsContact O-CB 3.3Å; A141-C144 WeakPolarHBondContact O-CB 3.47Å; A141-C144 PolarHBondContact O-N 2.73Å; A141-V145 PolarHBondContact O-N 3.44Å |
| 142 | A | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.3 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R138 K139 C144 V145 L165 L168 N179 | R138-A142 PolarHBondContact O-N 3.4Å; K139-A142 PolarHBondContact O-N 2.73Å; A142-C144 VanDerWaalsContact C-N 3.28Å; A142-C144 PolarHBondContact O-N 3.31Å; A142-V145 WeakPolarHBondContact O-CB 3.44Å; A142-V145 PolarHBondContact O-N 3.34Å; A142-L165 HydrophobicContact CB-CD1 3.7Å; A142-L168 HydrophobicContact CB-CD1 3.98Å; A142-N179 HydrophobicContact CB-CB 4.45Å |
| 143 | V | 92.2 | Very high | 92 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.9 | -34.9 | 175.3 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | K139 T140 A141 V145 V146 K147 N179 | K139-V143 PolarHBondContact O-N 2.94Å; T140-V143 PolarHBondContact O-N 3.44Å; A141-V143 PolarHBondContact O-N 2.95Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 3.3Å; V143-V146 WeakPolarHBondContact O-CB 3.28Å; V143-V146 PolarHBondContact O-N 3.46Å; V143-K147 PolarHBondContact O-N 3.13Å; V143-N179 HydrophobicContact CG2-CB 4.25Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.41Å |
| 144 | C | 92.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -32 | 177.6 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | V107 G111 L126 T140 A141 A142 V146 K147 L148 | V107-C144 HydrophobicContact CG2-CB 4.41Å; V107-C144 PolarHBondContact O-SG 2.88Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å; L126-C144 HydrophobicContact CD1-CB 3.78Å; T140-C144 PolarHBondContact O-N 3.26Å; T140-C144 VanDerWaalsContact O-N 3.09Å; A141-C144 WeakPolarHBondContact O-CA 3.34Å; A141-C144 VanDerWaalsContact O-CB 3.3Å; A141-C144 WeakPolarHBondContact O-CB 3.47Å; A141-C144 PolarHBondContact O-N 2.73Å; A142-C144 VanDerWaalsContact C-N 3.28Å; A142-C144 PolarHBondContact O-N 3.31Å; C144-V146 VanDerWaalsContact C-N 3.33Å; C144-V146 PolarHBondContact O-N 3.03Å; C144-K147 PolarHBondContact O-N 3.22Å; C144-L148 WeakPolarHBondContact O-CB 3.28Å; C144-L148 PolarHBondContact O-N 3.25Å |
| 145 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | L126 L130 A141 A142 V143 L148 Y149 V156 F161 L165 I187 | L126-V145 HydrophobicContact CD1-CG2 4.34Å; L126-V145 HydrophobicContact CD2-CG2 4.09Å; L126-V145 HydrophobicContact CG-CG2 4.43Å; L130-V145 HydrophobicContact CD1-CG2 4.02Å; L130-V145 HydrophobicContact CD2-CG2 4.05Å; A141-V145 PolarHBondContact O-N 3.44Å; A142-V145 WeakPolarHBondContact O-CB 3.44Å; A142-V145 PolarHBondContact O-N 3.34Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 3.3Å; V145-L148 PolarHBondContact O-N 3.22Å; V145-Y149 WeakPolarHBondContact O-CB 3.4Å; V145-Y149 PolarHBondContact O-N 2.93Å; V145-V156 HydrophobicContact CG1-CG1 3.96Å; V145-F161 HydrophobicContact CG1-CB 4.11Å; V145-L165 HydrophobicContact CB-CD2 4.48Å; V145-L165 HydrophobicContact CG1-CD2 4.09Å; V145-I187 HydrophobicContact CG1-CD1 4.25Å |
| 146 | V | 91.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 111 | V143 C144 L148 Y149 D150 A183 E186 I187 M190 | V143-V146 WeakPolarHBondContact O-CB 3.28Å; V143-V146 PolarHBondContact O-N 3.46Å; C144-V146 VanDerWaalsContact C-N 3.33Å; C144-V146 PolarHBondContact O-N 3.03Å; V146-L148 VanDerWaalsContact C-N 3.27Å; V146-L148 PolarHBondContact O-N 2.88Å; V146-Y149 WeakPolarHBondContact O-CB 3.24Å; V146-Y149 PolarHBondContact O-N 2.88Å; V146-Y149 VanDerWaalsContact O-N 3.12Å; V146-D150 PolarHBondContact O-N 2.75Å; V146-A183 HydrophobicContact CG2-CB 3.13Å; V146-E186 HydrophobicContact CG1-CB 4.13Å; V146-E186 VanDerWaalsContact CG1-CD 3.49Å; V146-E186 HydrophobicContact CG1-CG 3.79Å; V146-I187 HydrophobicContact CG1-CG1 4.37Å; V146-I187 HydrophobicContact CG2-CD1 4.35Å; V146-I187 HydrophobicContact CG2-CG1 4.42Å; V146-M190 HydrophobicContact CG1-CE 4.47Å |
| 147 | K | 89.8 | Confident | 91.2 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 179.4 | -65.1 | -167.4 | 178.4 | -155.7 | 0 | 111.7 | C112 V143 C144 I151 D628 | C112-K147 PolarHBondContact SG-NZ 2.95Å; V143-K147 PolarHBondContact O-N 3.13Å; C144-K147 PolarHBondContact O-N 3.22Å; K147-I151 WeakPolarHBondContact O-CD1 3.15Å; K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.35Å; K147-I151 PolarHBondContact O-N 3.03Å; K147-D628 IonicContact NZ-OD1 3.43Å |
| 148 | L | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 174.8 | -174.9 | 58.7 | 0 | 0 | 0 | 111.4 | T119 L122 L126 C144 V145 V146 I151 N152 L155 V156 F161 | T119-L148 HydrophobicContact CG2-CD1 3.97Å; L122-L148 HydrophobicContact CD2-CD1 4.38Å; L126-L148 HydrophobicContact CD2-CD2 3.78Å; C144-L148 WeakPolarHBondContact O-CB 3.28Å; C144-L148 PolarHBondContact O-N 3.25Å; V145-L148 PolarHBondContact O-N 3.22Å; V146-L148 VanDerWaalsContact C-N 3.27Å; V146-L148 PolarHBondContact O-N 2.88Å; L148-I151 PolarHBondContact O-N 3.08Å; L148-I151 VanDerWaalsContact O-N 3.16Å; L148-N152 PolarHBondContact O-N 3.32Å; L148-L155 HydrophobicContact CD1-CD2 4.42Å; L148-V156 HydrophobicContact CB-CG2 3.96Å; L148-V156 HydrophobicContact CD2-CG2 3.89Å; L148-V156 HydrophobicContact CG-CG2 3.56Å; L148-F161 HydrophobicContact CD2-CD2 4.43Å; L148-F161 HydrophobicContact CD2-CE2 4.25Å |
| 149 | Y | 90.2 | Very high | 90.6 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 176.9 | -171.9 | -87.8 | 0 | 0 | 0 | 112 | V145 V146 I151 A153 V156 E157 L162 I187 M190 S191 L195 | V145-Y149 WeakPolarHBondContact O-CB 3.4Å; V145-Y149 PolarHBondContact O-N 2.93Å; V146-Y149 WeakPolarHBondContact O-CB 3.24Å; V146-Y149 PolarHBondContact O-N 2.88Å; V146-Y149 VanDerWaalsContact O-N 3.12Å; Y149-I151 PolarHBondContact O-N 3.44Å; Y149-A153 HydrophobicContact CD1-CB 4.35Å; Y149-A153 HydrophobicContact CD2-CB 3.93Å; Y149-A153 HydrophobicContact CE1-CB 4.04Å; Y149-A153 HydrophobicContact CE2-CB 3.6Å; Y149-A153 HydrophobicContact CG-CB 4.29Å; Y149-A153 PolarHBondContact O-N 3.22Å; Y149-V156 HydrophobicContact CD2-CB 3.94Å; Y149-V156 HydrophobicContact CD2-CG1 3.9Å; Y149-V156 HydrophobicContact CD2-CG2 4.47Å; Y149-E157 HydrophobicContact CE2-CG 4.46Å; Y149-L162 HydrophobicContact CD2-CD2 4.48Å; Y149-I187 HydrophobicContact CD1-CB 4.5Å; Y149-I187 HydrophobicContact CD1-CG1 4.15Å; Y149-I187 HydrophobicContact CD1-CG2 4.09Å; Y149-I187 HydrophobicContact CD2-CG2 4.16Å; Y149-I187 HydrophobicContact CE1-CG2 3.96Å; Y149-I187 HydrophobicContact CE2-CG2 4.03Å; Y149-I187 HydrophobicContact CG-CD1 4.48Å; Y149-I187 HydrophobicContact CG-CG1 4.08Å; Y149-I187 HydrophobicContact CG-CG2 4.21Å; Y149-M190 HydrophobicContact CD1-SD 4.46Å; Y149-M190 HydrophobicContact CE1-CB 4.16Å; Y149-S191 WeakPolarHBondContact OH-CB 3.44Å; Y149-L195 HydrophobicContact CE2-CD1 3.97Å; Y149-L195 WeakPolarHBondContact OH-CD1 3.48Å |
| 150 | D | 87.9 | Confident | 90.5 | Very high | 71 Ų | 71 | 39.5 Ų | 39.5 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.9 | -30.8 | 172.8 | -174.7 | 46.2 | 0 | 0 | 0 | 112.4 | R114 V146 M190 | R114-D150 IonicContact CZ-OD2 3.89Å; R114-D150 IonicContact NH1-OD2 3.77Å; R114-D150 PolarHBondContact NH1-OD2 3.11Å; R114-D150 IonicContact NH2-OD2 3.35Å; R114-D150 PolarHBondContact NH2-OD2 3.48Å; V146-D150 PolarHBondContact O-N 2.75Å; D150-M190 HydrophobicContact CB-SD 4.46Å |
| 151 | I | 86.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -85.8 | -50.6 | 178.2 | -57.7 | 158 | 0 | 0 | 0 | 111.2 | R114 T119 K147 L148 Y149 | R114-I151 HydrophobicContact CB-CD1 4.25Å; R114-I151 HydrophobicContact CB-CG1 4.38Å; R114-I151 HydrophobicContact CG-CD1 3.9Å; R114-I151 HydrophobicContact CG-CG1 4.03Å; T119-I151 HydrophobicContact CG2-CB 4.38Å; T119-I151 HydrophobicContact CG2-CD1 4.27Å; T119-I151 HydrophobicContact CG2-CG2 3.67Å; K147-I151 WeakPolarHBondContact O-CD1 3.15Å; K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.35Å; K147-I151 PolarHBondContact O-N 3.03Å; L148-I151 PolarHBondContact O-N 3.08Å; L148-I151 VanDerWaalsContact O-N 3.16Å; Y149-I151 PolarHBondContact O-N 3.44Å |
| 152 | N | 87.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | trans | -147.3 | 91.5 | -176.4 | -171.1 | -22.3 | 0 | 0 | 0 | 110.6 | L148 E154 L155 V156 | L148-N152 PolarHBondContact O-N 3.32Å; N152-E154 PolarHBondContact OD1-N 3.41Å; N152-L155 HydrophobicContact CB-CB 4.04Å; N152-L155 VanDerWaalsContact CG-CB 3.46Å; N152-L155 PolarHBondContact O-N 2.88Å; N152-L155 WeakPolarHBondContact OD1-CB 3.19Å; N152-L155 PolarHBondContact OD1-N 3Å; N152-V156 PolarHBondContact O-N 2.69Å | ||
| 153 | A | 88.3 | Confident | 90.2 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y149 L155 V156 E157 | Y149-A153 HydrophobicContact CD1-CB 4.35Å; Y149-A153 HydrophobicContact CD2-CB 3.93Å; Y149-A153 HydrophobicContact CE1-CB 4.04Å; Y149-A153 HydrophobicContact CE2-CB 3.6Å; Y149-A153 HydrophobicContact CG-CB 4.29Å; Y149-A153 PolarHBondContact O-N 3.22Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.35Å; A153-V156 PolarHBondContact O-N 3.32Å; A153-V156 VanDerWaalsContact O-N 3.09Å; A153-E157 PolarHBondContact O-N 3.41Å |
| 154 | E | 88 | Confident | 90.3 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 69% | 0.687 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -58.8 | -45.5 | -179.5 | -63.7 | -178.4 | 173.1 | 0 | 0 | 111 | N152 V156 E157 D158 | N152-E154 PolarHBondContact OD1-N 3.41Å; E154-V156 VanDerWaalsContact C-N 3.29Å; E154-V156 PolarHBondContact O-N 2.93Å; E154-E157 PolarHBondContact O-N 2.97Å; E154-D158 WeakPolarHBondContact O-CB 3.47Å; E154-D158 PolarHBondContact O-N 3.3Å |
| 155 | L | 89.2 | Confident | 90.2 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 177.1 | -178.5 | 65.3 | 0 | 0 | 0 | 112.2 | L148 N152 A153 Q159 | L148-L155 HydrophobicContact CD1-CD2 4.42Å; N152-L155 HydrophobicContact CB-CB 4.04Å; N152-L155 VanDerWaalsContact CG-CB 3.46Å; N152-L155 PolarHBondContact O-N 2.88Å; N152-L155 WeakPolarHBondContact OD1-CB 3.19Å; N152-L155 PolarHBondContact OD1-N 3Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 3.35Å; L155-Q159 HydrophobicContact CD1-CG 3.78Å; L155-Q159 HydrophobicContact CG-CG 4.31Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 2.8Å |
| 156 | V | 89.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 180 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | V145 L148 Y149 N152 A153 E154 G160 F161 L162 | V145-V156 HydrophobicContact CG1-CG1 3.96Å; L148-V156 HydrophobicContact CB-CG2 3.96Å; L148-V156 HydrophobicContact CD2-CG2 3.89Å; L148-V156 HydrophobicContact CG-CG2 3.56Å; Y149-V156 HydrophobicContact CD2-CB 3.94Å; Y149-V156 HydrophobicContact CD2-CG1 3.9Å; Y149-V156 HydrophobicContact CD2-CG2 4.47Å; N152-V156 PolarHBondContact O-N 2.69Å; A153-V156 PolarHBondContact O-N 3.32Å; A153-V156 VanDerWaalsContact O-N 3.09Å; E154-V156 VanDerWaalsContact C-N 3.29Å; E154-V156 PolarHBondContact O-N 2.93Å; V156-G160 PolarHBondContact O-N 2.87Å; V156-F161 HydrophobicContact CG1-CB 3.79Å; V156-F161 PolarHBondContact O-N 3Å; V156-L162 HydrophobicContact CG1-CD2 3.97Å; V156-L162 HydrophobicContact CG1-CG 4.19Å |
| 157 | E | 89.1 | Confident | 90.1 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -52.8 | 175.9 | -70.8 | -176.8 | -159.2 | 0 | 0 | 111.3 | Y149 A153 E154 Q159 G160 L162 | Y149-E157 HydrophobicContact CE2-CG 4.46Å; A153-E157 PolarHBondContact O-N 3.41Å; E154-E157 PolarHBondContact O-N 2.97Å; E157-Q159 VanDerWaalsContact C-N 3.29Å; E157-Q159 PolarHBondContact O-N 3.37Å; E157-G160 PolarHBondContact O-N 3.18Å; E157-L162 HydrophobicContact CG-CD1 3.74Å |
| 158 | D | 89.9 | Confident | 90.2 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 75% | 0.754 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.3 | -36 | -177.7 | -77.3 | -14.3 | 0 | 0 | 0 | 112.7 | E154 G160 | E154-D158 WeakPolarHBondContact O-CB 3.47Å; E154-D158 PolarHBondContact O-N 3.3Å; D158-G160 PolarHBondContact O-N 3.41Å |
| 159 | Q | 89.7 | Confident | 90.1 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.5 | 177.8 | -67.4 | -69.1 | -27.3 | 0 | 0 | 113 | R127 L155 E157 F161 | R127-Q159 VanDerWaalsContact CZ-O 3.31Å; R127-Q159 PolarHBondContact NH1-O 3.27Å; R127-Q159 PolarHBondContact NH2-O 3.05Å; L155-Q159 HydrophobicContact CD1-CG 3.78Å; L155-Q159 HydrophobicContact CG-CG 4.31Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 2.8Å; E157-Q159 VanDerWaalsContact C-N 3.29Å; E157-Q159 PolarHBondContact O-N 3.37Å; Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 HydrophobicContact CB-CD2 3.5Å; Q159-F161 VanDerWaalsContact CB-CD2 3.5Å; Q159-F161 HydrophobicContact CB-CE2 3.36Å; Q159-F161 HydrophobicContact CB-CG 4.47Å; Q159-F161 HydrophobicContact CB-CZ 4.25Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.02Å; Q159-F161 PolarHBondContact O-N 3.18Å |
| 160 | G | 90.8 | Very high | 90 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 27 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V156 E157 D158 L162 D163 Q164 | V156-G160 PolarHBondContact O-N 2.87Å; E157-G160 PolarHBondContact O-N 3.18Å; D158-G160 PolarHBondContact O-N 3.41Å; G160-L162 VanDerWaalsContact C-N 3.29Å; G160-D163 PolarHBondContact O-N 3.04Å; G160-Q164 PolarHBondContact O-N 3.32Å |
| 161 | F | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.9 | -28.3 | 178.3 | -75.4 | -63.1 | 0 | 0 | 0 | 112.3 | C123 L126 R127 L130 V145 L148 V156 Q159 D163 Q164 L165 | C123-F161 HydrophobicContact CB-CE2 4.14Å; C123-F161 HydrophobicContact CB-CZ 3.99Å; C123-F161 WeakPolarHBondContact O-CZ 3.31Å; L126-F161 HydrophobicContact CB-CE1 4.25Å; L126-F161 HydrophobicContact CB-CZ 4.42Å; L126-F161 HydrophobicContact CD2-CD1 4.28Å; L126-F161 HydrophobicContact CD2-CE1 4.04Å; L126-F161 HydrophobicContact CD2-CZ 4.21Å; L126-F161 HydrophobicContact CG-CD1 4.4Å; L126-F161 HydrophobicContact CG-CE1 3.97Å; L126-F161 HydrophobicContact CG-CZ 4.44Å; R127-F161 HydrophobicContact CB-CE1 3.96Å; R127-F161 HydrophobicContact CB-CZ 4.45Å; L130-F161 HydrophobicContact CD1-CD1 3.63Å; L130-F161 HydrophobicContact CD1-CE1 4.09Å; V145-F161 HydrophobicContact CG1-CB 4.11Å; L148-F161 HydrophobicContact CD2-CD2 4.43Å; L148-F161 HydrophobicContact CD2-CE2 4.25Å; V156-F161 HydrophobicContact CG1-CB 3.79Å; V156-F161 PolarHBondContact O-N 3Å; Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 HydrophobicContact CB-CD2 3.5Å; Q159-F161 VanDerWaalsContact CB-CD2 3.5Å; Q159-F161 HydrophobicContact CB-CE2 3.36Å; Q159-F161 HydrophobicContact CB-CG 4.47Å; Q159-F161 HydrophobicContact CB-CZ 4.25Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.02Å; Q159-F161 PolarHBondContact O-N 3.18Å; F161-D163 VanDerWaalsContact C-N 3.31Å; F161-D163 PolarHBondContact O-N 2.75Å; F161-Q164 PolarHBondContact O-N 3.11Å; F161-L165 WeakPolarHBondContact O-CB 3.46Å; F161-L165 PolarHBondContact O-N 2.92Å |
| 162 | L | 90.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.8 | -63.6 | -176.6 | 0 | 0 | 0 | 112 | Y149 V156 E157 G160 L165 K166 I187 L195 | Y149-L162 HydrophobicContact CD2-CD2 4.48Å; V156-L162 HydrophobicContact CG1-CD2 3.97Å; V156-L162 HydrophobicContact CG1-CG 4.19Å; E157-L162 HydrophobicContact CG-CD1 3.74Å; G160-L162 VanDerWaalsContact C-N 3.29Å; L162-L165 PolarHBondContact O-N 3.32Å; L162-K166 VanDerWaalsContact O-CG 3.28Å; L162-K166 WeakPolarHBondContact O-CG 3.26Å; L162-K166 PolarHBondContact O-N 2.77Å; L162-I187 HydrophobicContact CD2-CD1 4.06Å; L162-I187 HydrophobicContact CD2-CG2 4.15Å; L162-L195 HydrophobicContact CD1-CB 4.49Å; L162-L195 HydrophobicContact CD1-CD1 3.87Å |
| 163 | D | 92.3 | Very high | 90.5 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 177.7 | -66.6 | -35.6 | 0 | 0 | 0 | 111.2 | G160 F161 L165 K166 E167 | G160-D163 PolarHBondContact O-N 3.04Å; F161-D163 VanDerWaalsContact C-N 3.31Å; F161-D163 PolarHBondContact O-N 2.75Å; D163-L165 VanDerWaalsContact C-N 3.32Å; D163-L165 PolarHBondContact O-N 3.3Å; D163-K166 WeakPolarHBondContact O-CB 3.32Å; D163-K166 PolarHBondContact O-N 3.22Å; D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.71Å |
| 164 | Q | 93.5 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 174 | -61.9 | -168.6 | 5.3 | 0 | 0 | 111.9 | L130 G160 F161 E167 L168 | L130-Q164 HydrophobicContact CD1-CB 4.05Å; L130-Q164 VanDerWaalsContact CD1-OE1 3.28Å; G160-Q164 PolarHBondContact O-N 3.32Å; F161-Q164 PolarHBondContact O-N 3.11Å; Q164-E167 WeakPolarHBondContact O-CB 3.23Å; Q164-E167 PolarHBondContact O-N 3.27Å; Q164-L168 WeakPolarHBondContact O-CG 3.37Å; Q164-L168 PolarHBondContact O-N 3.38Å; Q164-L168 VanDerWaalsContact O-N 3.13Å |
| 165 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 175.7 | -170.6 | 63.4 | 0 | 0 | 0 | 111.7 | A142 V145 F161 L162 D163 L168 A180 A183 L184 I187 | A142-L165 HydrophobicContact CB-CD1 3.7Å; V145-L165 HydrophobicContact CB-CD2 4.48Å; V145-L165 HydrophobicContact CG1-CD2 4.09Å; F161-L165 WeakPolarHBondContact O-CB 3.46Å; F161-L165 PolarHBondContact O-N 2.92Å; L162-L165 PolarHBondContact O-N 3.32Å; D163-L165 VanDerWaalsContact C-N 3.32Å; D163-L165 PolarHBondContact O-N 3.3Å; L165-L168 HydrophobicContact CD1-CD1 4.4Å; L165-L168 WeakPolarHBondContact O-CB 3.47Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-A180 HydrophobicContact CD1-CB 4.11Å; L165-A183 HydrophobicContact CD1-CB 4.01Å; L165-A183 HydrophobicContact CD2-CB 3.77Å; L165-A183 HydrophobicContact CG-CB 4.41Å; L165-L184 HydrophobicContact CB-CD2 4.37Å; L165-L184 HydrophobicContact CD2-CD2 3.67Å; L165-L184 HydrophobicContact CD2-CG 3.82Å; L165-L184 HydrophobicContact CG-CD2 3.94Å; L165-L184 HydrophobicContact CG-CG 3.91Å; L165-I187 HydrophobicContact CD2-CD1 3.77Å |
| 166 | K | 91.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 30% | 0.3 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 171.7 | -71.1 | 167.2 | -177.2 | 174.5 | 0 | 112.1 | L162 D163 L168 M169 L184 L195 | L162-K166 VanDerWaalsContact O-CG 3.28Å; L162-K166 WeakPolarHBondContact O-CG 3.26Å; L162-K166 PolarHBondContact O-N 2.77Å; D163-K166 WeakPolarHBondContact O-CB 3.32Å; D163-K166 PolarHBondContact O-N 3.22Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.41Å; K166-M169 WeakPolarHBondContact O-CB 3.47Å; K166-M169 WeakPolarHBondContact O-CG 3.43Å; K166-M169 PolarHBondContact O-N 2.85Å; K166-L184 HydrophobicContact CG-CD1 4.37Å; K166-L184 HydrophobicContact CG-CD2 4.13Å; K166-L195 PolarHBondContact NZ-O 2.87Å |
| 167 | E | 91.4 | Very high | 90.8 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 174.2 | -73.9 | 174.1 | -174.8 | 0 | 0 | 111.8 | D163 Q164 M169 S170 | D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.71Å; Q164-E167 WeakPolarHBondContact O-CB 3.23Å; Q164-E167 PolarHBondContact O-N 3.27Å; E167-M169 PolarHBondContact O-N 2.73Å; E167-M169 VanDerWaalsContact O-N 3.12Å; E167-S170 PolarHBondContact O-N 3.26Å |
| 168 | L | 92.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -17.1 | 177.2 | -69.1 | -176.8 | 0 | 0 | 0 | 114.1 | L130 A142 Q164 L165 K166 S170 D171 V176 A180 | L130-L168 HydrophobicContact CD2-CD1 3.58Å; A142-L168 HydrophobicContact CB-CD1 3.98Å; Q164-L168 WeakPolarHBondContact O-CG 3.37Å; Q164-L168 PolarHBondContact O-N 3.38Å; Q164-L168 VanDerWaalsContact O-N 3.13Å; L165-L168 HydrophobicContact CD1-CD1 4.4Å; L165-L168 WeakPolarHBondContact O-CB 3.47Å; L165-L168 PolarHBondContact O-N 3.34Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.41Å; L168-S170 PolarHBondContact O-N 2.86Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.18Å; L168-D171 VanDerWaalsContact O-N 3.09Å; L168-V176 HydrophobicContact CB-CG1 4.15Å; L168-V176 HydrophobicContact CD1-CG1 4.23Å; L168-V176 HydrophobicContact CD2-CG1 3.9Å; L168-V176 HydrophobicContact CG-CG1 4.32Å; L168-A180 HydrophobicContact CB-CB 3.81Å |
| 169 | M | 87.8 | Confident | 91 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.9 | 171.1 | -64 | -69.7 | -61.9 | 0 | 0 | 113.2 | K166 E167 A180 V181 L184 W196 T202 L206 | K166-M169 WeakPolarHBondContact O-CB 3.47Å; K166-M169 WeakPolarHBondContact O-CG 3.43Å; K166-M169 PolarHBondContact O-N 2.85Å; E167-M169 PolarHBondContact O-N 2.73Å; E167-M169 VanDerWaalsContact O-N 3.12Å; M169-A180 HydrophobicContact CG-CB 4.49Å; M169-A180 HydrophobicContact SD-CB 3.96Å; M169-V181 HydrophobicContact CE-CB 4.47Å; M169-V181 HydrophobicContact CE-CG2 3.35Å; M169-V181 HydrophobicContact SD-CB 4.24Å; M169-V181 HydrophobicContact SD-CG2 3.48Å; M169-V181 WeakPolarHBondContact SD-CG2 3.32Å; M169-L184 HydrophobicContact CG-CD1 3.68Å; M169-L184 HydrophobicContact SD-CD1 3.75Å; M169-W196 HydrophobicContact CE-CH2 4.43Å; M169-W196 HydrophobicContact CE-CZ2 4.21Å; M169-T202 HydrophobicContact CE-CG2 3.4Å; M169-L206 HydrophobicContact CE-CD2 3.89Å; M169-L206 HydrophobicContact CE-CG 4.47Å |
| 170 | S | 88 | Confident | 91.2 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 53% | 0.531 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 19.8 | 174.8 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | E167 L168 K205 | E167-S170 PolarHBondContact O-N 3.26Å; L168-S170 PolarHBondContact O-N 2.86Å; S170-K205 PolarHBondContact OG-NZ 3.49Å |
| 171 | D | 92.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | trans | -62.3 | 151.8 | 174.2 | -161.4 | -79.9 | 0 | 0 | 0 | 111.2 | R138 L168 N173 V176 V177 | R138-D171 IonicContact CZ-OD1 2.79Å; R138-D171 IonicContact CZ-OD2 3.33Å; R138-D171 IonicContact NE-OD1 3.7Å; R138-D171 IonicContact NE-OD2 2.76Å; R138-D171 PolarHBondContact NE-OD2 2.88Å; R138-D171 IonicContact NH2-OD1 3.82Å; R138-D171 PolarHBondContact NH2-OD1 2.89Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.45Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.18Å; L168-D171 VanDerWaalsContact O-N 3.09Å; D171-N173 VanDerWaalsContact C-N 3.26Å; D171-N173 PolarHBondContact O-N 2.96Å; D171-N173 WeakPolarHBondContact OD1-CB 3.4Å; D171-N173 PolarHBondContact OD1-N 3.32Å; D171-V176 HydrophobicContact CB-CB 4.03Å; D171-V176 HydrophobicContact CB-CG1 3.86Å; D171-V177 HydrophobicContact CB-CG2 4.17Å | ||
| 172 | S | 89.8 | Confident | 91.1 | Very high | 113 Ų | 113 | 35.7 Ų | 35.7 | 79% | 0.79 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -71.9 | -22 | 177 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 173 | N | 91.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 35 Ų | 35 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -98 | 121 | -178.8 | -169.5 | -67.8 | 0 | 0 | 0 | 111.9 | P135 D171 M175 V176 V177 | P135-N173 HydrophobicContact CB-CB 3.79Å; P135-N173 WeakPolarHBondContact CB-ND2 3.45Å; P135-N173 HydrophobicContact CG-CB 4.1Å; D171-N173 VanDerWaalsContact C-N 3.26Å; D171-N173 PolarHBondContact O-N 2.96Å; D171-N173 WeakPolarHBondContact OD1-CB 3.4Å; D171-N173 PolarHBondContact OD1-N 3.32Å; N173-M175 VanDerWaalsContact C-N 3.29Å; N173-M175 PolarHBondContact O-N 2.86Å; N173-M175 VanDerWaalsContact OD1-CB 3.25Å; N173-M175 WeakPolarHBondContact OD1-CB 3.22Å; N173-M175 PolarHBondContact OD1-N 3.33Å; N173-V176 HydrophobicContact CB-CB 4.44Å; N173-V176 HydrophobicContact CB-CG2 3.96Å; N173-V176 WeakPolarHBondContact O-CB 3.48Å; N173-V176 PolarHBondContact O-N 3.3Å; N173-V176 VanDerWaalsContact O-N 3.08Å; N173-V177 PolarHBondContact O-N 3.22Å |
| 174 | P | 88.3 | Confident | 91.1 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.3 | -33.4 | 179.8 | -25.6 | 33.4 | 0 | 0 | 0 | 114.7 | V176 V177 A178 A209 E212 C213 | P174-V176 VanDerWaalsContact C-N 3.29Å; P174-V176 PolarHBondContact O-N 2.63Å; P174-V177 PolarHBondContact O-N 3.09Å; P174-A178 WeakPolarHBondContact O-CB 3.39Å; P174-A178 PolarHBondContact O-N 2.84Å; P174-A209 HydrophobicContact CB-CB 4.23Å; P174-E212 HydrophobicContact CB-CB 4.14Å; P174-E212 HydrophobicContact CG-CB 3.63Å; P174-E212 WeakPolarHBondContact CG-OE2 3.49Å; P174-C213 VanDerWaalsContact CB-SG 3.54Å; P174-C213 PolarHBondContact O-SG 3.47Å; P174-C213 VanDerWaalsContact O-SG 3.41Å |
| 175 | M | 87.9 | Confident | 90.9 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 28% | 0.281 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 178.2 | -59.6 | -175.3 | -178.2 | 0 | 0 | 111.6 | K139 N173 N179 T214 | K139-M175 HydrophobicContact CD-CB 4.33Å; N173-M175 VanDerWaalsContact C-N 3.29Å; N173-M175 PolarHBondContact O-N 2.86Å; N173-M175 VanDerWaalsContact OD1-CB 3.25Å; N173-M175 WeakPolarHBondContact OD1-CB 3.22Å; N173-M175 PolarHBondContact OD1-N 3.33Å; M175-N179 PolarHBondContact O-N 2.95Å; M175-N179 PolarHBondContact O-ND2 3.06Å; M175-T214 HydrophobicContact CE-CG2 3.48Å; M175-T214 VanDerWaalsContact CE-CG2 3.48Å; M175-T214 HydrophobicContact CG-CG2 4.5Å; M175-T214 HydrophobicContact SD-CG2 4.34Å |
| 176 | V | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | P135 R138 K139 L168 D171 N173 P174 A178 N179 A180 | P135-V176 HydrophobicContact CB-CG2 3.89Å; P135-V176 VanDerWaalsContact O-CG2 3.32Å; P135-V176 WeakPolarHBondContact O-CG2 3.45Å; R138-V176 HydrophobicContact CB-CG1 4.08Å; R138-V176 HydrophobicContact CB-CG2 4.04Å; K139-V176 HydrophobicContact CB-CG2 4.17Å; L168-V176 HydrophobicContact CB-CG1 4.15Å; L168-V176 HydrophobicContact CD1-CG1 4.23Å; L168-V176 HydrophobicContact CD2-CG1 3.9Å; L168-V176 HydrophobicContact CG-CG1 4.32Å; D171-V176 HydrophobicContact CB-CB 4.03Å; D171-V176 HydrophobicContact CB-CG1 3.86Å; N173-V176 HydrophobicContact CB-CB 4.44Å; N173-V176 HydrophobicContact CB-CG2 3.96Å; N173-V176 WeakPolarHBondContact O-CB 3.48Å; N173-V176 PolarHBondContact O-N 3.3Å; N173-V176 VanDerWaalsContact O-N 3.08Å; P174-V176 VanDerWaalsContact C-N 3.29Å; P174-V176 PolarHBondContact O-N 2.63Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 3.4Å; V176-N179 PolarHBondContact O-N 3.12Å; V176-A180 WeakPolarHBondContact O-CB 3.2Å; V176-A180 PolarHBondContact O-N 3.25Å |
| 177 | V | 91.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 176 | 178.4 | 0 | 0 | 0 | 0 | 111 | D171 N173 P174 N179 A180 V181 L206 A209 | D171-V177 HydrophobicContact CB-CG2 4.17Å; N173-V177 PolarHBondContact O-N 3.22Å; P174-V177 PolarHBondContact O-N 3.09Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 2.89Å; V177-A180 PolarHBondContact O-N 3.02Å; V177-V181 HydrophobicContact CG1-CG2 4.36Å; V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 2.85Å; V177-L206 HydrophobicContact CG1-CD2 3.57Å; V177-A209 HydrophobicContact CG1-CB 4.42Å |
| 178 | A | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P174 V176 A182 I221 | P174-A178 WeakPolarHBondContact O-CB 3.39Å; P174-A178 PolarHBondContact O-N 2.84Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 3.4Å; A178-A182 WeakPolarHBondContact O-CB 3.22Å; A178-A182 PolarHBondContact O-N 3.49Å; A178-A182 VanDerWaalsContact O-N 3.08Å; A178-I221 HydrophobicContact CB-CD1 4.05Å; A178-I221 HydrophobicContact CB-CG1 4.15Å |
| 179 | N | 92.2 | Very high | 90.2 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.4 | -34 | 176.5 | -76.8 | -92.7 | 0 | 0 | 0 | 112.1 | K139 A142 V143 M175 V176 V177 A182 A183 | K139-N179 HydrophobicContact CB-CB 4.22Å; A142-N179 HydrophobicContact CB-CB 4.45Å; V143-N179 HydrophobicContact CG2-CB 4.25Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.41Å; M175-N179 PolarHBondContact O-N 2.95Å; M175-N179 PolarHBondContact O-ND2 3.06Å; V176-N179 PolarHBondContact O-N 3.12Å; V177-N179 VanDerWaalsContact C-N 3.35Å; V177-N179 PolarHBondContact O-N 2.89Å; N179-A182 PolarHBondContact O-N 3.14Å; N179-A183 WeakPolarHBondContact O-CB 3.45Å; N179-A183 PolarHBondContact O-N 2.97Å |
| 180 | A | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L165 L168 M169 V176 V177 A183 L184 | L165-A180 HydrophobicContact CD1-CB 4.11Å; L168-A180 HydrophobicContact CB-CB 3.81Å; M169-A180 HydrophobicContact CG-CB 4.49Å; M169-A180 HydrophobicContact SD-CB 3.96Å; V176-A180 WeakPolarHBondContact O-CB 3.2Å; V176-A180 PolarHBondContact O-N 3.25Å; V177-A180 PolarHBondContact O-N 3.02Å; A180-A183 PolarHBondContact O-N 3.36Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 VanDerWaalsContact O-CG 3.32Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å; A180-L184 PolarHBondContact O-N 3.39Å |
| 181 | V | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -53.8 | 172.3 | 171 | 0 | 0 | 0 | 0 | 111 | M169 V177 A183 L184 T185 L206 S224 | M169-V181 HydrophobicContact CE-CB 4.47Å; M169-V181 HydrophobicContact CE-CG2 3.35Å; M169-V181 HydrophobicContact SD-CB 4.24Å; M169-V181 HydrophobicContact SD-CG2 3.48Å; M169-V181 WeakPolarHBondContact SD-CG2 3.32Å; V177-V181 HydrophobicContact CG1-CG2 4.36Å; V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 2.85Å; V181-A183 PolarHBondContact O-N 2.85Å; V181-L184 PolarHBondContact O-N 3.32Å; V181-T185 WeakPolarHBondContact O-CB 3.31Å; V181-T185 PolarHBondContact O-N 3.15Å; V181-T185 PolarHBondContact O-OG1 2.95Å; V181-T185 VanDerWaalsContact O-OG1 3.08Å; V181-L206 HydrophobicContact CG1-CD1 4.21Å; V181-L206 HydrophobicContact CG2-CD1 3.76Å; V181-L206 HydrophobicContact CG2-CD2 3.25Å; V181-L206 HydrophobicContact CG2-CG 4.13Å; V181-S224 WeakPolarHBondContact CG1-OG 3.45Å |
| 182 | A | 90.4 | Very high | 89.1 | Confident | 23 Ų | 23 | 34 Ų | 34 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.1 | -46 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A178 N179 T185 E186 F220 | A178-A182 WeakPolarHBondContact O-CB 3.22Å; A178-A182 PolarHBondContact O-N 3.49Å; A178-A182 VanDerWaalsContact O-N 3.08Å; N179-A182 PolarHBondContact O-N 3.14Å; A182-T185 PolarHBondContact O-N 3.18Å; A182-E186 WeakPolarHBondContact O-CB 3.4Å; A182-E186 PolarHBondContact O-N 3.11Å; A182-F220 HydrophobicContact CB-CB 4.07Å; A182-F220 HydrophobicContact CB-CD1 4.42Å; A182-F220 HydrophobicContact CB-CD2 4Å; A182-F220 HydrophobicContact CB-CG 3.92Å |
| 183 | A | 92.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V146 L165 N179 A180 V181 E186 I187 | V146-A183 HydrophobicContact CG2-CB 3.13Å; L165-A183 HydrophobicContact CD1-CB 4.01Å; L165-A183 HydrophobicContact CD2-CB 3.77Å; L165-A183 HydrophobicContact CG-CB 4.41Å; N179-A183 WeakPolarHBondContact O-CB 3.45Å; N179-A183 PolarHBondContact O-N 2.97Å; A180-A183 PolarHBondContact O-N 3.36Å; V181-A183 PolarHBondContact O-N 2.85Å; A183-E186 PolarHBondContact O-N 3.12Å; A183-I187 WeakPolarHBondContact O-CB 3.47Å; A183-I187 WeakPolarHBondContact O-CD1 3.49Å; A183-I187 WeakPolarHBondContact O-CG1 3.47Å; A183-I187 PolarHBondContact O-N 3.16Å |
| 184 | L | 91.8 | Very high | 88 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.5 | -72.6 | 168.7 | 0 | 0 | 0 | 112.1 | L165 K166 M169 A180 V181 N188 W196 | L165-L184 HydrophobicContact CB-CD2 4.37Å; L165-L184 HydrophobicContact CD2-CD2 3.67Å; L165-L184 HydrophobicContact CD2-CG 3.82Å; L165-L184 HydrophobicContact CG-CD2 3.94Å; L165-L184 HydrophobicContact CG-CG 3.91Å; K166-L184 HydrophobicContact CG-CD1 4.37Å; K166-L184 HydrophobicContact CG-CD2 4.13Å; M169-L184 HydrophobicContact CG-CD1 3.68Å; M169-L184 HydrophobicContact SD-CD1 3.75Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 VanDerWaalsContact O-CG 3.32Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å; A180-L184 PolarHBondContact O-N 3.39Å; V181-L184 PolarHBondContact O-N 3.32Å; L184-N188 WeakPolarHBondContact O-CB 3.19Å; L184-N188 PolarHBondContact O-N 3.29Å; L184-W196 HydrophobicContact CB-CD2 4.35Å; L184-W196 HydrophobicContact CB-CE3 3.9Å; L184-W196 HydrophobicContact CB-CZ3 4.33Å; L184-W196 HydrophobicContact CD1-CD2 4.17Å; L184-W196 HydrophobicContact CD1-CE3 4.43Å; L184-W196 HydrophobicContact CD1-CG 4.44Å; L184-W196 HydrophobicContact CD2-CB 4.44Å |
| 185 | T | 89.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 177 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | V181 A182 N188 E189 S224 | V181-T185 WeakPolarHBondContact O-CB 3.31Å; V181-T185 PolarHBondContact O-N 3.15Å; V181-T185 PolarHBondContact O-OG1 2.95Å; V181-T185 VanDerWaalsContact O-OG1 3.08Å; A182-T185 PolarHBondContact O-N 3.18Å; T185-N188 WeakPolarHBondContact O-CB 3.45Å; T185-N188 PolarHBondContact O-N 3.39Å; T185-E189 WeakPolarHBondContact O-CG 3.41Å; T185-E189 PolarHBondContact O-N 3.43Å; T185-E189 VanDerWaalsContact O-N 3.07Å; T185-S224 PolarHBondContact OG1-OG 3.07Å |
| 186 | E | 89.1 | Confident | 87.2 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 178.6 | -173.9 | 172.2 | 166.1 | 0 | 0 | 112.2 | V146 A182 A183 N188 E189 M190 | V146-E186 HydrophobicContact CG1-CB 4.13Å; V146-E186 VanDerWaalsContact CG1-CD 3.49Å; V146-E186 HydrophobicContact CG1-CG 3.79Å; A182-E186 WeakPolarHBondContact O-CB 3.4Å; A182-E186 PolarHBondContact O-N 3.11Å; A183-E186 PolarHBondContact O-N 3.12Å; E186-N188 VanDerWaalsContact C-N 3.32Å; E186-N188 PolarHBondContact O-N 3.06Å; E186-E189 PolarHBondContact O-N 3.17Å; E186-E189 VanDerWaalsContact O-N 3.12Å; E186-M190 HydrophobicContact CG-CE 3.51Å; E186-M190 HydrophobicContact CG-SD 4.42Å; E186-M190 WeakPolarHBondContact O-CG 3.36Å; E186-M190 PolarHBondContact O-N 3.36Å; E186-M190 VanDerWaalsContact OE1-CE 3.23Å; E186-M190 WeakPolarHBondContact OE1-CE 3.48Å |
| 187 | I | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.6 | -72.9 | 168.5 | 0 | 0 | 0 | 111.1 | V145 V146 Y149 L162 L165 A183 E189 M190 S191 L195 | V145-I187 HydrophobicContact CG1-CD1 4.25Å; V146-I187 HydrophobicContact CG1-CG1 4.37Å; V146-I187 HydrophobicContact CG2-CD1 4.35Å; V146-I187 HydrophobicContact CG2-CG1 4.42Å; Y149-I187 HydrophobicContact CD1-CB 4.5Å; Y149-I187 HydrophobicContact CD1-CG1 4.15Å; Y149-I187 HydrophobicContact CD1-CG2 4.09Å; Y149-I187 HydrophobicContact CD2-CG2 4.16Å; Y149-I187 HydrophobicContact CE1-CG2 3.96Å; Y149-I187 HydrophobicContact CE2-CG2 4.03Å; Y149-I187 HydrophobicContact CG-CD1 4.48Å; Y149-I187 HydrophobicContact CG-CG1 4.08Å; Y149-I187 HydrophobicContact CG-CG2 4.21Å; L162-I187 HydrophobicContact CD2-CD1 4.06Å; L162-I187 HydrophobicContact CD2-CG2 4.15Å; L165-I187 HydrophobicContact CD2-CD1 3.77Å; A183-I187 WeakPolarHBondContact O-CB 3.47Å; A183-I187 WeakPolarHBondContact O-CD1 3.49Å; A183-I187 WeakPolarHBondContact O-CG1 3.47Å; A183-I187 PolarHBondContact O-N 3.16Å; I187-E189 VanDerWaalsContact C-N 3.28Å; I187-E189 PolarHBondContact O-N 3.07Å; I187-M190 PolarHBondContact O-N 2.75Å; I187-M190 VanDerWaalsContact O-N 3.16Å; I187-S191 WeakPolarHBondContact O-CB 3.41Å; I187-S191 PolarHBondContact O-N 3.07Å; I187-S191 PolarHBondContact O-OG 3.22Å; I187-L195 HydrophobicContact CG2-CD1 3.85Å |
| 188 | N | 88.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | 176.4 | -86.4 | -22.2 | 0 | 0 | 0 | 113.1 | L184 T185 E186 M190 S191 L195 W196 | L184-N188 WeakPolarHBondContact O-CB 3.19Å; L184-N188 PolarHBondContact O-N 3.29Å; T185-N188 WeakPolarHBondContact O-CB 3.45Å; T185-N188 PolarHBondContact O-N 3.39Å; E186-N188 VanDerWaalsContact C-N 3.32Å; E186-N188 PolarHBondContact O-N 3.06Å; N188-M190 VanDerWaalsContact C-N 3.35Å; N188-S191 WeakPolarHBondContact CA-OG 3.47Å; N188-S191 PolarHBondContact O-OG 2.98Å; N188-L195 PolarHBondContact OD1-N 3.48Å; N188-W196 PolarHBondContact ND2-O 3.42Å; N188-W196 PolarHBondContact OD1-N 3.49Å; N188-W196 VanDerWaalsContact OD1-N 3.13Å |
| 189 | E | 84.2 | Confident | 86 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -73.3 | -30.1 | 175.1 | -71.9 | -178.4 | 174.2 | 0 | 0 | 112 | T185 E186 I187 | T185-E189 WeakPolarHBondContact O-CG 3.41Å; T185-E189 PolarHBondContact O-N 3.43Å; T185-E189 VanDerWaalsContact O-N 3.07Å; E186-E189 PolarHBondContact O-N 3.17Å; E186-E189 VanDerWaalsContact O-N 3.12Å; I187-E189 VanDerWaalsContact C-N 3.28Å; I187-E189 PolarHBondContact O-N 3.07Å |
| 190 | M | 83.5 | Confident | 85.8 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -80.6 | -31.8 | 175.8 | -65.8 | 172.4 | -176.7 | 0 | 0 | 112.6 | V146 Y149 D150 E186 I187 N188 R588 | V146-M190 HydrophobicContact CG1-CE 4.47Å; Y149-M190 HydrophobicContact CD1-SD 4.46Å; Y149-M190 HydrophobicContact CE1-CB 4.16Å; D150-M190 HydrophobicContact CB-SD 4.46Å; E186-M190 HydrophobicContact CG-CE 3.51Å; E186-M190 HydrophobicContact CG-SD 4.42Å; E186-M190 WeakPolarHBondContact O-CG 3.36Å; E186-M190 PolarHBondContact O-N 3.36Å; E186-M190 VanDerWaalsContact OE1-CE 3.23Å; E186-M190 WeakPolarHBondContact OE1-CE 3.48Å; I187-M190 PolarHBondContact O-N 2.75Å; I187-M190 VanDerWaalsContact O-N 3.16Å; N188-M190 VanDerWaalsContact C-N 3.35Å; M190-R588 WeakPolarHBondContact O-CD 3.25Å; M190-R588 PolarHBondContact O-NH1 3.3Å |
| 191 | S | 83.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -76.4 | 143.7 | -174.2 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | Y149 I187 N188 K193 | Y149-S191 WeakPolarHBondContact OH-CB 3.44Å; I187-S191 WeakPolarHBondContact O-CB 3.41Å; I187-S191 PolarHBondContact O-N 3.07Å; I187-S191 PolarHBondContact O-OG 3.22Å; N188-S191 WeakPolarHBondContact CA-OG 3.47Å; N188-S191 PolarHBondContact O-OG 2.98Å; S191-K193 WeakPolarHBondContact CB-O 3.45Å; S191-K193 PolarHBondContact O-N 3Å; S191-K193 PolarHBondContact OG-O 3.3Å |
| 192 | P | 77.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -64.9 | -24.2 | 175.5 | -22.5 | 33.1 | 0 | 0 | 0 | 113.9 | ||
| 193 | K | 80 | Confident | 85.2 | Confident | 164 Ų | 164 | 56.1 Ų | 56.1 | 71% | 0.713 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -130.9 | 144.8 | 178.6 | -65.7 | -178.1 | -178.4 | 178.5 | 0 | 108.7 | S191 L195 | S191-K193 WeakPolarHBondContact CB-O 3.45Å; S191-K193 PolarHBondContact O-N 3Å; S191-K193 PolarHBondContact OG-O 3.3Å; K193-L195 PolarHBondContact O-N 3.2Å; K193-L195 VanDerWaalsContact O-N 3.14Å |
| 194 | P | 78.1 | Confident | 85.1 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | trans | -62.3 | 118.6 | 176.3 | 26.2 | -33 | 0 | 0 | 0 | 109.6 | E197 | P194-E197 HydrophobicContact CB-CG 4.46Š| ||
| 195 | L | 79.5 | Confident | 84.9 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -86.6 | -17.2 | 179.7 | -65.8 | 173.4 | 0 | 0 | 0 | 111.8 | Y149 L162 K166 I187 N188 K193 | Y149-L195 HydrophobicContact CE2-CD1 3.97Å; Y149-L195 WeakPolarHBondContact OH-CD1 3.48Å; L162-L195 HydrophobicContact CD1-CB 4.49Å; L162-L195 HydrophobicContact CD1-CD1 3.87Å; K166-L195 PolarHBondContact NZ-O 2.87Å; I187-L195 HydrophobicContact CG2-CD1 3.85Å; N188-L195 PolarHBondContact OD1-N 3.48Å; K193-L195 PolarHBondContact O-N 3.2Å; K193-L195 VanDerWaalsContact O-N 3.14Å |
| 196 | W | 80.6 | Confident | 85 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | trans | -146.9 | 136 | 177.6 | 173.8 | 72.5 | 0 | 0 | 0 | 110.4 | M169 L184 N188 M198 T202 | M169-W196 HydrophobicContact CE-CH2 4.43Å; M169-W196 HydrophobicContact CE-CZ2 4.21Å; L184-W196 HydrophobicContact CB-CD2 4.35Å; L184-W196 HydrophobicContact CB-CE3 3.9Å; L184-W196 HydrophobicContact CB-CZ3 4.33Å; L184-W196 HydrophobicContact CD1-CD2 4.17Å; L184-W196 HydrophobicContact CD1-CE3 4.43Å; L184-W196 HydrophobicContact CD1-CG 4.44Å; L184-W196 HydrophobicContact CD2-CB 4.44Å; N188-W196 PolarHBondContact ND2-O 3.42Å; N188-W196 PolarHBondContact OD1-N 3.49Å; N188-W196 VanDerWaalsContact OD1-N 3.13Å; W196-M198 HydrophobicContact CH2-CB 3.53Å; W196-M198 HydrophobicContact CH2-CG 3.78Å; W196-M198 HydrophobicContact CH2-SD 3.97Å; W196-M198 HydrophobicContact CZ2-CB 3.84Å; W196-M198 HydrophobicContact CZ2-CG 4Å; W196-M198 HydrophobicContact CZ3-CB 4.14Å; W196-T202 HydrophobicContact CH2-CG2 4.33Å; W196-T202 HydrophobicContact CZ2-CG2 3.74Å | ||
| 197 | E | 80.7 | Confident | 85.1 | Confident | 147 Ų | 147 | 58.4 Ų | 58.4 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | trans | -117.2 | 133.6 | 172.6 | -69.2 | -176.4 | -179.5 | 0 | 0 | 109.8 | P194 | P194-E197 HydrophobicContact CB-CG 4.46Š| ||
| 198 | M | 83.3 | Confident | 85.1 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | trans | -74 | 130.9 | 176.8 | -168.7 | 160.5 | 58.4 | 0 | 0 | 110.1 | W196 T202 V203 L206 L225 Y228 | W196-M198 HydrophobicContact CH2-CB 3.53Å; W196-M198 HydrophobicContact CH2-CG 3.78Å; W196-M198 HydrophobicContact CH2-SD 3.97Å; W196-M198 HydrophobicContact CZ2-CB 3.84Å; W196-M198 HydrophobicContact CZ2-CG 4Å; W196-M198 HydrophobicContact CZ3-CB 4.14Å; M198-T202 HydrophobicContact CG-CG2 4.05Å; M198-T202 HydrophobicContact SD-CG2 4.32Å; M198-V203 HydrophobicContact CE-CG2 3.81Å; M198-V203 HydrophobicContact CG-CG2 3.83Å; M198-V203 HydrophobicContact SD-CG2 3.83Å; M198-L206 HydrophobicContact SD-CD1 3.64Å; M198-L225 HydrophobicContact CE-CD2 4.19Å; M198-L225 HydrophobicContact SD-CD2 4.47Å; M198-Y228 HydrophobicContact CB-CD2 4.2Å; M198-Y228 HydrophobicContact CE-CD2 3.81Å; M198-Y228 HydrophobicContact CE-CG 3.75Å; M198-Y228 HydrophobicContact CG-CD2 4.31Å; M198-Y228 WeakPolarHBondContact O-CE2 3.48Å | ||
| 199 | N | 86 | Confident | 85.1 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -112.9 | 169.4 | 174.5 | 64.2 | 33.7 | 0 | 0 | 0 | 111.1 | Q201 T202 V203 | N199-Q201 PolarHBondContact O-N 3.16Å; N199-Q201 PolarHBondContact OD1-N 3.2Å; N199-T202 WeakPolarHBondContact O-CA 3.32Å; N199-T202 WeakPolarHBondContact O-CB 3.49Å; N199-T202 PolarHBondContact O-N 2.93Å; N199-T202 PolarHBondContact OD1-N 3.04Å; N199-T202 PolarHBondContact OD1-OG1 3.2Å; N199-V203 PolarHBondContact O-N 3.39Å | ||
| 200 | S | 86.8 | Confident | 85.4 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -31.6 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 115.1 | T202 N204 Y228 R231 E235 | S200-T202 VanDerWaalsContact C-N 3.33Å; S200-N204 WeakPolarHBondContact O-CB 3.48Å; S200-N204 PolarHBondContact O-N 2.88Å; S200-N204 PolarHBondContact O-ND2 2.97Å; S200-Y228 PolarHBondContact OG-OH 3.1Å; S200-Y228 VanDerWaalsContact OG-OH 3.08Å; S200-R231 WeakPolarHBondContact OG-CD 3.21Å; S200-R231 PolarHBondContact OG-NE 2.86Å; S200-R231 PolarHBondContact OG-NH2 3.33Å; S200-E235 WeakPolarHBondContact CB-OE1 3.48Å; S200-E235 PolarHBondContact OG-OE1 3.47Å |
| 201 | Q | 86.9 | Confident | 85.6 | Confident | 142 Ų | 142 | 58 Ų | 58 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.1 | -41.5 | 176.1 | -66.6 | -178.9 | -9.2 | 0 | 0 | 110.3 | N199 N204 K205 | N199-Q201 PolarHBondContact O-N 3.16Å; N199-Q201 PolarHBondContact OD1-N 3.2Å; Q201-N204 PolarHBondContact O-N 3.23Å; Q201-K205 WeakPolarHBondContact O-CG 3.38Å; Q201-K205 PolarHBondContact O-N 3.31Å; Q201-K205 VanDerWaalsContact O-N 3.12Å |
| 202 | T | 87.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | M169 W196 M198 N199 S200 N204 K205 L206 | M169-T202 HydrophobicContact CE-CG2 3.4Å; W196-T202 HydrophobicContact CH2-CG2 4.33Å; W196-T202 HydrophobicContact CZ2-CG2 3.74Å; M198-T202 HydrophobicContact CG-CG2 4.05Å; M198-T202 HydrophobicContact SD-CG2 4.32Å; N199-T202 WeakPolarHBondContact O-CA 3.32Å; N199-T202 WeakPolarHBondContact O-CB 3.49Å; N199-T202 PolarHBondContact O-N 2.93Å; N199-T202 PolarHBondContact OD1-N 3.04Å; N199-T202 PolarHBondContact OD1-OG1 3.2Å; S200-T202 VanDerWaalsContact C-N 3.33Å; T202-N204 VanDerWaalsContact C-N 3.29Å; T202-N204 PolarHBondContact O-N 3.08Å; T202-K205 WeakPolarHBondContact O-CB 3.42Å; T202-K205 PolarHBondContact O-N 2.8Å; T202-L206 HydrophobicContact CG2-CD1 4.41Å; T202-L206 HydrophobicContact CG2-CG 4.27Å; T202-L206 WeakPolarHBondContact O-CG 2.85Å; T202-L206 PolarHBondContact O-N 3.23Å |
| 203 | V | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.8 | -47 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | M198 N199 K205 L206 L207 L225 Y228 M239 | M198-V203 HydrophobicContact CE-CG2 3.81Å; M198-V203 HydrophobicContact CG-CG2 3.83Å; M198-V203 HydrophobicContact SD-CG2 3.83Å; N199-V203 PolarHBondContact O-N 3.39Å; V203-K205 VanDerWaalsContact C-N 3.32Å; V203-K205 PolarHBondContact O-N 3.42Å; V203-L206 PolarHBondContact O-N 2.97Å; V203-L207 HydrophobicContact CG1-CD1 3.84Å; V203-L207 HydrophobicContact CG1-CG 4.31Å; V203-L207 WeakPolarHBondContact O-CB 3.35Å; V203-L207 VanDerWaalsContact O-CG 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.38Å; V203-L207 PolarHBondContact O-N 3.08Å; V203-L225 HydrophobicContact CB-CD2 4.39Å; V203-L225 HydrophobicContact CG1-CD2 3.92Å; V203-L225 HydrophobicContact CG2-CD2 4.25Å; V203-Y228 HydrophobicContact CG2-CD1 3.74Å; V203-Y228 HydrophobicContact CG2-CD2 3.94Å; V203-Y228 HydrophobicContact CG2-CE1 3.75Å; V203-Y228 HydrophobicContact CG2-CE2 3.97Å; V203-Y228 HydrophobicContact CG2-CG 3.83Å; V203-M239 HydrophobicContact CG1-CE 3.78Å; V203-M239 HydrophobicContact CG1-CG 4.08Å; V203-M239 HydrophobicContact CG1-SD 3.86Å |
| 204 | N | 89.4 | Confident | 86.8 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 179.3 | -82 | -58.5 | 0 | 0 | 0 | 113.3 | S200 Q201 T202 T208 R242 | S200-N204 WeakPolarHBondContact O-CB 3.48Å; S200-N204 PolarHBondContact O-N 2.88Å; S200-N204 PolarHBondContact O-ND2 2.97Å; Q201-N204 PolarHBondContact O-N 3.23Å; T202-N204 VanDerWaalsContact C-N 3.29Å; T202-N204 PolarHBondContact O-N 3.08Å; N204-T208 PolarHBondContact O-N 3.35Å; N204-T208 PolarHBondContact O-OG1 3.41Å; N204-T208 VanDerWaalsContact O-OG1 3.05Å; N204-R242 PolarHBondContact O-NH2 2.89Å; N204-R242 PolarHBondContact OD1-NH2 3.28Å |
| 205 | K | 87.4 | Confident | 87.5 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 173 | -70.4 | 173.6 | 178.6 | -178.7 | 0 | 111.2 | S170 Q201 T202 V203 L207 T208 A209 | S170-K205 PolarHBondContact OG-NZ 3.49Å; Q201-K205 WeakPolarHBondContact O-CG 3.38Å; Q201-K205 PolarHBondContact O-N 3.31Å; Q201-K205 VanDerWaalsContact O-N 3.12Å; T202-K205 WeakPolarHBondContact O-CB 3.42Å; T202-K205 PolarHBondContact O-N 2.8Å; V203-K205 VanDerWaalsContact C-N 3.32Å; V203-K205 PolarHBondContact O-N 3.42Å; K205-L207 PolarHBondContact O-N 2.68Å; K205-T208 WeakPolarHBondContact O-CB 3.28Å; K205-T208 PolarHBondContact O-N 3.02Å; K205-T208 VanDerWaalsContact O-N 3.08Å; K205-A209 PolarHBondContact O-N 3.16Å |
| 206 | L | 91.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 179.4 | -66.2 | -167 | 0 | 0 | 0 | 112.6 | M169 V177 V181 M198 T202 V203 T208 A209 L210 I221 L225 | M169-L206 HydrophobicContact CE-CD2 3.89Å; M169-L206 HydrophobicContact CE-CG 4.47Å; V177-L206 HydrophobicContact CG1-CD2 3.57Å; V181-L206 HydrophobicContact CG1-CD1 4.21Å; V181-L206 HydrophobicContact CG2-CD1 3.76Å; V181-L206 HydrophobicContact CG2-CD2 3.25Å; V181-L206 HydrophobicContact CG2-CG 4.13Å; M198-L206 HydrophobicContact SD-CD1 3.64Å; T202-L206 HydrophobicContact CG2-CD1 4.41Å; T202-L206 HydrophobicContact CG2-CG 4.27Å; T202-L206 WeakPolarHBondContact O-CG 2.85Å; T202-L206 PolarHBondContact O-N 3.23Å; V203-L206 PolarHBondContact O-N 2.97Å; L206-T208 PolarHBondContact O-N 3.31Å; L206-A209 PolarHBondContact O-N 3.06Å; L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 PolarHBondContact O-N 3.4Å; L206-I221 HydrophobicContact CB-CG2 3.91Å; L206-L225 HydrophobicContact CB-CD2 4.36Å; L206-L225 HydrophobicContact CD1-CD2 4.4Å |
| 207 | L | 91.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -27.8 | 174.6 | -72.5 | 171.6 | 0 | 0 | 0 | 113 | V203 K205 L210 L225 M239 R242 V243 | V203-L207 HydrophobicContact CG1-CD1 3.84Å; V203-L207 HydrophobicContact CG1-CG 4.31Å; V203-L207 WeakPolarHBondContact O-CB 3.35Å; V203-L207 VanDerWaalsContact O-CG 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.38Å; V203-L207 PolarHBondContact O-N 3.08Å; K205-L207 PolarHBondContact O-N 2.68Å; L207-L210 HydrophobicContact CD2-CD2 4.37Å; L207-L225 HydrophobicContact CD2-CD1 3.63Å; L207-L225 HydrophobicContact CG-CD1 4.21Å; L207-M239 HydrophobicContact CD1-CG 4.06Å; L207-R242 HydrophobicContact CB-CB 4.48Å; L207-R242 VanDerWaalsContact CB-CZ 3.4Å; L207-R242 VanDerWaalsContact CB-NH2 3.3Å; L207-R242 HydrophobicContact CD1-CB 4.22Å; L207-R242 HydrophobicContact CD2-CB 4.04Å; L207-V243 HydrophobicContact CD2-CG2 3.79Å |
| 208 | T | 89.7 | Confident | 89 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.9 | -45.7 | 172.4 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | N204 K205 L206 L210 N211 R242 | N204-T208 PolarHBondContact O-N 3.35Å; N204-T208 PolarHBondContact O-OG1 3.41Å; N204-T208 VanDerWaalsContact O-OG1 3.05Å; K205-T208 WeakPolarHBondContact O-CB 3.28Å; K205-T208 PolarHBondContact O-N 3.02Å; K205-T208 VanDerWaalsContact O-N 3.08Å; L206-T208 PolarHBondContact O-N 3.31Å; T208-L210 PolarHBondContact O-N 3.07Å; T208-N211 PolarHBondContact O-N 3.36Å; T208-R242 PolarHBondContact OG1-NH1 2.89Å |
| 209 | A | 89.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -30.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P174 V177 K205 L206 N211 E212 C213 I221 | P174-A209 HydrophobicContact CB-CB 4.23Å; V177-A209 HydrophobicContact CG1-CB 4.42Å; K205-A209 PolarHBondContact O-N 3.16Å; L206-A209 PolarHBondContact O-N 3.06Å; A209-N211 PolarHBondContact O-N 3.12Å; A209-N211 VanDerWaalsContact O-N 3.1Å; A209-E212 PolarHBondContact O-N 3.32Å; A209-C213 PolarHBondContact O-N 2.95Å; A209-C213 VanDerWaalsContact O-N 3.11Å; A209-C213 PolarHBondContact O-SG 3.38Å; A209-I221 HydrophobicContact CB-CD1 4.08Å |
| 210 | L | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.4 | 178.2 | -174.4 | 65.7 | 0 | 0 | 0 | 113.1 | L206 L207 T208 Q218 I221 L222 R246 | L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 PolarHBondContact O-N 3.4Å; L207-L210 HydrophobicContact CD2-CD2 4.37Å; T208-L210 PolarHBondContact O-N 3.07Å; L210-Q218 HydrophobicContact CD1-CB 3.82Å; L210-Q218 HydrophobicContact CD1-CG 3.92Å; L210-Q218 WeakPolarHBondContact O-CG 3.4Å; L210-I221 HydrophobicContact CB-CG2 4.38Å; L210-I221 HydrophobicContact CD1-CB 4.25Å; L210-I221 HydrophobicContact CD1-CG2 4.03Å; L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.14Å; L210-L222 HydrophobicContact CD1-CG 3.83Å; L210-L222 HydrophobicContact CD2-CD2 3.95Å; L210-R246 HydrophobicContact CD2-CG 3.9Å; L210-R246 HydrophobicContact CG-CG 4.18Å |
| 211 | N | 86.6 | Confident | 90.2 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22.9 | 179.8 | -67.2 | -40.3 | 0 | 0 | 0 | 113.7 | T208 A209 | T208-N211 PolarHBondContact O-N 3.36Å; A209-N211 PolarHBondContact O-N 3.12Å; A209-N211 VanDerWaalsContact O-N 3.1Å |
| 212 | E | 87.8 | Confident | 90.6 | Very high | 137 Ų | 137 | 41.6 Ų | 41.6 | 64% | 0.64 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115 | -3 | -171.3 | -63.8 | 177.4 | -167.1 | 0 | 0 | 112.7 | P174 A209 | P174-E212 HydrophobicContact CB-CB 4.14Å; P174-E212 HydrophobicContact CG-CB 3.63Å; P174-E212 WeakPolarHBondContact CG-OE2 3.49Å; A209-E212 PolarHBondContact O-N 3.32Å |
| 213 | C | 87.8 | Confident | 90.9 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -79.6 | 152.1 | 179.7 | -75.8 | 0 | 0 | 0 | 0 | 113.1 | P174 A209 Q218 I221 | P174-C213 VanDerWaalsContact CB-SG 3.54Å; P174-C213 PolarHBondContact O-SG 3.47Å; P174-C213 VanDerWaalsContact O-SG 3.41Å; A209-C213 PolarHBondContact O-N 2.95Å; A209-C213 VanDerWaalsContact O-N 3.11Å; A209-C213 PolarHBondContact O-SG 3.38Å; C213-Q218 HydrophobicContact CB-CG 3.86Å; C213-Q218 PolarHBondContact O-NE2 2.96Å; C213-I221 HydrophobicContact CB-CD1 4.48Å; C213-I221 VanDerWaalsContact SG-CD1 3.57Å |
| 214 | T | 91 | Very high | 90.9 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | trans | -61.4 | 165.1 | 164.5 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | M175 W216 G217 Q218 | M175-T214 HydrophobicContact CE-CG2 3.48Å; M175-T214 VanDerWaalsContact CE-CG2 3.48Å; M175-T214 HydrophobicContact CG-CG2 4.5Å; M175-T214 HydrophobicContact SD-CG2 4.34Å; T214-W216 VanDerWaalsContact C-N 3.28Å; T214-W216 PolarHBondContact O-N 2.9Å; T214-G217 PolarHBondContact O-N 3.23Å; T214-G217 PolarHBondContact OG1-N 2.99Å; T214-Q218 WeakPolarHBondContact O-CG 3.48Å; T214-Q218 PolarHBondContact O-N 3.2Å | ||
| 215 | E | 92 | Very high | 91 | Very high | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.7 | -43.4 | -177.7 | -48.5 | -172.7 | 136.6 | 0 | 0 | 112.1 | Q218 V219 H249 N251 V254 | E215-Q218 PolarHBondContact O-N 2.92Å; E215-V219 WeakPolarHBondContact O-CG2 3.2Å; E215-V219 PolarHBondContact O-N 3.3Å; E215-H249 IonicContact OE1-CE1 3.05Å; E215-H249 PolarHBondContact OE1-CE1 3.39Å; E215-H249 VanDerWaalsContact OE1-CE1 3.26Å; E215-N251 HydrophobicContact CG-CB 4.47Å; E215-N251 WeakPolarHBondContact OE1-CB 3.42Å; E215-N251 PolarHBondContact OE2-ND2 2.85Å; E215-V254 HydrophobicContact CB-CG2 4.11Å |
| 216 | W | 88.9 | Confident | 91.2 | Very high | 159 Ų | 159 | 35.7 Ų | 35.7 | 60% | 0.602 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -61.2 | -45.8 | 173.9 | -65.4 | 101.6 | 0 | 0 | 0 | 112.5 | T214 Q218 V219 F220 | T214-W216 VanDerWaalsContact C-N 3.28Å; T214-W216 PolarHBondContact O-N 2.9Å; W216-Q218 VanDerWaalsContact C-N 3.3Å; W216-Q218 PolarHBondContact O-N 3.08Å; W216-V219 PolarHBondContact O-N 2.89Å; W216-F220 HydrophobicContact CB-CE2 4.45Å; W216-F220 WeakPolarHBondContact O-CD2 3.31Å; W216-F220 VanDerWaalsContact O-CG 3.31Å; W216-F220 WeakPolarHBondContact O-CG 3.43Å; W216-F220 PolarHBondContact O-N 3.22Å |
| 217 | G | 89.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T214 F220 I221 | T214-G217 PolarHBondContact O-N 3.23Å; T214-G217 PolarHBondContact OG1-N 2.99Å; G217-F220 PolarHBondContact O-N 3.47Å; G217-I221 WeakPolarHBondContact O-CB 3.49Å; G217-I221 VanDerWaalsContact O-CG1 3.32Å; G217-I221 WeakPolarHBondContact O-CG1 3.35Å; G217-I221 PolarHBondContact O-N 3.29Å |
| 218 | Q | 94.1 | Very high | 91 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 174 | -67.9 | 179.9 | 53.4 | 0 | 0 | 111.4 | L210 C213 T214 E215 W216 I221 L222 V254 | L210-Q218 HydrophobicContact CD1-CB 3.82Å; L210-Q218 HydrophobicContact CD1-CG 3.92Å; L210-Q218 WeakPolarHBondContact O-CG 3.4Å; C213-Q218 HydrophobicContact CB-CG 3.86Å; C213-Q218 PolarHBondContact O-NE2 2.96Å; T214-Q218 WeakPolarHBondContact O-CG 3.48Å; T214-Q218 PolarHBondContact O-N 3.2Å; E215-Q218 PolarHBondContact O-N 2.92Å; W216-Q218 VanDerWaalsContact C-N 3.3Å; W216-Q218 PolarHBondContact O-N 3.08Å; Q218-I221 PolarHBondContact O-N 2.92Å; Q218-L222 WeakPolarHBondContact O-CB 3.4Å; Q218-L222 WeakPolarHBondContact O-CD1 3.44Å; Q218-L222 WeakPolarHBondContact O-CG 3.17Å; Q218-L222 PolarHBondContact O-N 3.13Å; Q218-V254 HydrophobicContact CB-CG1 4.34Å; Q218-V254 HydrophobicContact CB-CG2 4.32Å |
| 219 | V | 94.6 | Very high | 91 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | E215 W216 I221 L222 D223 A253 V254 | E215-V219 WeakPolarHBondContact O-CG2 3.2Å; E215-V219 PolarHBondContact O-N 3.3Å; W216-V219 PolarHBondContact O-N 2.89Å; V219-I221 VanDerWaalsContact C-N 3.33Å; V219-I221 PolarHBondContact O-N 2.77Å; V219-L222 PolarHBondContact O-N 2.83Å; V219-D223 VanDerWaalsContact O-CB 3.29Å; V219-D223 WeakPolarHBondContact O-CB 3.43Å; V219-D223 PolarHBondContact O-N 2.92Å; V219-A253 HydrophobicContact CG2-CB 4.03Å; V219-V254 HydrophobicContact CG2-CG2 3.96Å |
| 220 | F | 92.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 43 Ų | 43 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.6 | -42 | 178.7 | -62.8 | -25.9 | 0 | 0 | 0 | 113.2 | A182 W216 G217 S224 | A182-F220 HydrophobicContact CB-CB 4.07Å; A182-F220 HydrophobicContact CB-CD1 4.42Å; A182-F220 HydrophobicContact CB-CD2 4Å; A182-F220 HydrophobicContact CB-CG 3.92Å; W216-F220 HydrophobicContact CB-CE2 4.45Å; W216-F220 WeakPolarHBondContact O-CD2 3.31Å; W216-F220 VanDerWaalsContact O-CG 3.31Å; W216-F220 WeakPolarHBondContact O-CG 3.43Å; W216-F220 PolarHBondContact O-N 3.22Å; G217-F220 PolarHBondContact O-N 3.47Å; F220-S224 WeakPolarHBondContact O-CB 3.31Å; F220-S224 PolarHBondContact O-N 3.44Å; F220-S224 VanDerWaalsContact O-N 3.12Å; F220-S224 PolarHBondContact O-OG 3.48Å |
| 221 | I | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -51.2 | 176.1 | -71.7 | 170 | 0 | 0 | 0 | 110.2 | A178 L206 A209 L210 C213 G217 Q218 V219 D223 S224 L225 | A178-I221 HydrophobicContact CB-CD1 4.05Å; A178-I221 HydrophobicContact CB-CG1 4.15Å; L206-I221 HydrophobicContact CB-CG2 3.91Å; A209-I221 HydrophobicContact CB-CD1 4.08Å; L210-I221 HydrophobicContact CB-CG2 4.38Å; L210-I221 HydrophobicContact CD1-CB 4.25Å; L210-I221 HydrophobicContact CD1-CG2 4.03Å; C213-I221 HydrophobicContact CB-CD1 4.48Å; C213-I221 VanDerWaalsContact SG-CD1 3.57Å; G217-I221 WeakPolarHBondContact O-CB 3.49Å; G217-I221 VanDerWaalsContact O-CG1 3.32Å; G217-I221 WeakPolarHBondContact O-CG1 3.35Å; G217-I221 PolarHBondContact O-N 3.29Å; Q218-I221 PolarHBondContact O-N 2.92Å; V219-I221 VanDerWaalsContact C-N 3.33Å; V219-I221 PolarHBondContact O-N 2.77Å; I221-D223 VanDerWaalsContact C-N 3.33Å; I221-D223 PolarHBondContact O-N 3.24Å; I221-S224 PolarHBondContact O-N 3.38Å; I221-L225 HydrophobicContact CG2-CD1 3.79Å; I221-L225 HydrophobicContact CG2-CG 4.16Å; I221-L225 WeakPolarHBondContact O-CB 3.32Å; I221-L225 VanDerWaalsContact O-CG 3.26Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 3.11Å |
| 222 | L | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | -178.7 | -72.1 | 167.6 | 0 | 0 | 0 | 111.7 | L210 Q218 V219 S224 L225 A226 V243 V254 A258 V261 | L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.14Å; L210-L222 HydrophobicContact CD1-CG 3.83Å; L210-L222 HydrophobicContact CD2-CD2 3.95Å; Q218-L222 WeakPolarHBondContact O-CB 3.4Å; Q218-L222 WeakPolarHBondContact O-CD1 3.44Å; Q218-L222 WeakPolarHBondContact O-CG 3.17Å; Q218-L222 PolarHBondContact O-N 3.13Å; V219-L222 PolarHBondContact O-N 2.83Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.32Å; L222-L225 WeakPolarHBondContact O-CB 3.36Å; L222-L225 PolarHBondContact O-N 3.35Å; L222-A226 PolarHBondContact O-N 2.81Å; L222-V243 HydrophobicContact CD2-CG1 3.86Å; L222-V243 HydrophobicContact CD2-CG2 4.16Å; L222-V254 HydrophobicContact CD1-CG1 4.14Å; L222-A258 HydrophobicContact CD1-CB 4.19Å; L222-V261 HydrophobicContact CB-CG2 4.2Å; L222-V261 HydrophobicContact CD2-CG2 4.17Å; L222-V261 WeakPolarHBondContact O-CG2 3.08Å |
| 223 | D | 92.5 | Very high | 90.7 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 178.7 | -73.5 | 1.8 | 0 | 0 | 0 | 111.5 | V219 I221 A226 S257 K260 | V219-D223 VanDerWaalsContact O-CB 3.29Å; V219-D223 WeakPolarHBondContact O-CB 3.43Å; V219-D223 PolarHBondContact O-N 2.92Å; I221-D223 VanDerWaalsContact C-N 3.33Å; I221-D223 PolarHBondContact O-N 3.24Å; D223-A226 WeakPolarHBondContact O-CB 3.43Å; D223-A226 PolarHBondContact O-N 3.11Å; D223-S257 WeakPolarHBondContact OD1-CB 3.37Å; D223-S257 PolarHBondContact OD1-OG 2.77Å; D223-K260 VanDerWaalsContact OD1-CE 3.22Å; D223-K260 WeakPolarHBondContact OD1-CE 3.34Å; D223-K260 IonicContact OD1-NZ 2.82Å; D223-K260 PolarHBondContact OD1-NZ 3.49Å; D223-K260 IonicContact OD2-NZ 2.72Å |
| 224 | S | 90.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.5 | -37 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | V181 T185 F220 I221 L222 A226 N227 | V181-S224 WeakPolarHBondContact CG1-OG 3.45Å; T185-S224 PolarHBondContact OG1-OG 3.07Å; F220-S224 WeakPolarHBondContact O-CB 3.31Å; F220-S224 PolarHBondContact O-N 3.44Å; F220-S224 VanDerWaalsContact O-N 3.12Å; F220-S224 PolarHBondContact O-OG 3.48Å; I221-S224 PolarHBondContact O-N 3.38Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.32Å; S224-A226 VanDerWaalsContact C-N 3.27Å; S224-A226 PolarHBondContact O-N 2.59Å; S224-N227 PolarHBondContact O-N 3.3Å; S224-N227 VanDerWaalsContact O-N 3.17Å |
| 225 | L | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -33.4 | 172.7 | -71.2 | 175.7 | 0 | 0 | 0 | 112.1 | M198 V203 L206 L207 I221 L222 N227 Y228 M239 V261 | M198-L225 HydrophobicContact CE-CD2 4.19Å; M198-L225 HydrophobicContact SD-CD2 4.47Å; V203-L225 HydrophobicContact CB-CD2 4.39Å; V203-L225 HydrophobicContact CG1-CD2 3.92Å; V203-L225 HydrophobicContact CG2-CD2 4.25Å; L206-L225 HydrophobicContact CB-CD2 4.36Å; L206-L225 HydrophobicContact CD1-CD2 4.4Å; L207-L225 HydrophobicContact CD2-CD1 3.63Å; L207-L225 HydrophobicContact CG-CD1 4.21Å; I221-L225 HydrophobicContact CG2-CD1 3.79Å; I221-L225 HydrophobicContact CG2-CG 4.16Å; I221-L225 WeakPolarHBondContact O-CB 3.32Å; I221-L225 VanDerWaalsContact O-CG 3.26Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 3.11Å; L222-L225 WeakPolarHBondContact O-CB 3.36Å; L222-L225 PolarHBondContact O-N 3.35Å; L225-N227 PolarHBondContact O-N 2.66Å; L225-Y228 WeakPolarHBondContact O-CB 3.44Å; L225-Y228 PolarHBondContact O-N 2.73Å; L225-Y228 VanDerWaalsContact O-N 3.13Å; L225-M239 HydrophobicContact CD2-CE 4.2Å; L225-V261 HydrophobicContact CB-CG2 4.31Å |
| 226 | A | 91.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -22.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L222 D223 S224 K260 V261 K264 | L222-A226 PolarHBondContact O-N 2.81Å; D223-A226 WeakPolarHBondContact O-CB 3.43Å; D223-A226 PolarHBondContact O-N 3.11Å; S224-A226 VanDerWaalsContact C-N 3.27Å; S224-A226 PolarHBondContact O-N 2.59Å; A226-K260 HydrophobicContact CB-CD 4.22Å; A226-K260 HydrophobicContact CB-CG 4.11Å; A226-V261 HydrophobicContact CB-CG2 3.89Å; A226-K264 HydrophobicContact CB-CD 4.28Å; A226-K264 VanDerWaalsContact O-CD 3.26Å; A226-K264 WeakPolarHBondContact O-CD 3.34Å; A226-K264 VanDerWaalsContact O-CE 3.28Å; A226-K264 WeakPolarHBondContact O-CE 3.47Å; A226-K264 PolarHBondContact O-NZ 3.48Å |
| 227 | N | 88.2 | Confident | 90.7 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.1 | 177.1 | -69.6 | -27.6 | 0 | 0 | 0 | 113.5 | S224 L225 | S224-N227 PolarHBondContact O-N 3.3Å; S224-N227 VanDerWaalsContact O-N 3.17Å; L225-N227 PolarHBondContact O-N 2.66Å |
| 228 | Y | 90.5 | Very high | 90.8 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | trans | -78.5 | 140.6 | 177.9 | -171.2 | -118.4 | 0 | 0 | 0 | 112.2 | M198 S200 V203 L225 P230 E235 M239 | M198-Y228 HydrophobicContact CB-CD2 4.2Å; M198-Y228 HydrophobicContact CE-CD2 3.81Å; M198-Y228 HydrophobicContact CE-CG 3.75Å; M198-Y228 HydrophobicContact CG-CD2 4.31Å; M198-Y228 WeakPolarHBondContact O-CE2 3.48Å; S200-Y228 PolarHBondContact OG-OH 3.1Å; S200-Y228 VanDerWaalsContact OG-OH 3.08Å; V203-Y228 HydrophobicContact CG2-CD1 3.74Å; V203-Y228 HydrophobicContact CG2-CD2 3.94Å; V203-Y228 HydrophobicContact CG2-CE1 3.75Å; V203-Y228 HydrophobicContact CG2-CE2 3.97Å; V203-Y228 HydrophobicContact CG2-CG 3.83Å; L225-Y228 WeakPolarHBondContact O-CB 3.44Å; L225-Y228 PolarHBondContact O-N 2.73Å; L225-Y228 VanDerWaalsContact O-N 3.13Å; Y228-P230 HydrophobicContact CD1-CG 4.34Å; Y228-P230 HydrophobicContact CE1-CB 4.35Å; Y228-P230 HydrophobicContact CE1-CG 4.48Å; Y228-E235 PolarHBondContact OH-OE2 3.46Å; Y228-M239 HydrophobicContact CD1-CE 3.9Å; Y228-M239 HydrophobicContact CD1-SD 3.83Å; Y228-M239 HydrophobicContact CE1-SD 4Å | ||
| 229 | V | 89.2 | Confident | 90.7 | Very high | 100 Ų | 100 | 49 Ų | 49 | 61% | 0.606 | 24% | 0.235 | S | C | * | . | trans | -102.9 | 112.1 | 168 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 230 | P | 88.6 | Confident | 90.7 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | trans | -58.3 | 148.6 | 175.6 | -21.7 | 32 | 0 | 0 | 0 | 112.4 | Y228 E235 A236 M239 L265 | Y228-P230 HydrophobicContact CD1-CG 4.34Å; Y228-P230 HydrophobicContact CE1-CB 4.35Å; Y228-P230 HydrophobicContact CE1-CG 4.48Å; P230-E235 HydrophobicContact CB-CB 4.41Å; P230-E235 HydrophobicContact CB-CG 4.4Å; P230-A236 HydrophobicContact CB-CB 3.92Å; P230-A236 HydrophobicContact CG-CB 3.87Å; P230-M239 HydrophobicContact CG-SD 4.08Å; P230-L265 HydrophobicContact CG-CD2 3.35Å | ||
| 231 | R | 87 | Confident | 90.6 | Very high | 180 Ų | 180 | 50.7 Ų | 50.7 | 68% | 0.679 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -70.2 | -37.4 | 179.6 | -66.7 | 178.4 | -65.2 | 178.6 | -7.8 | 112.8 | S200 E235 | S200-R231 WeakPolarHBondContact OG-CD 3.21Å; S200-R231 PolarHBondContact OG-NE 2.86Å; S200-R231 PolarHBondContact OG-NH2 3.33Å; R231-E235 WeakPolarHBondContact CB-OE2 2.99Å; R231-E235 WeakPolarHBondContact CG-OE2 3.09Å; R231-E235 IonicContact CZ-OE1 2.68Å; R231-E235 PolarHBondContact N-OE2 3.02Å; R231-E235 IonicContact NE-OE1 3.72Å; R231-E235 PolarHBondContact NE-OE1 3.42Å; R231-E235 IonicContact NE-OE2 3.85Å; R231-E235 PolarHBondContact NE-OE2 3.12Å; R231-E235 IonicContact NH2-OE1 3.4Å; R231-E235 PolarHBondContact NH2-OE1 3.02Å |
| 232 | D | 87.6 | Confident | 90.7 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -148.9 | 170.3 | -178.8 | 63.9 | 25.4 | 0 | 0 | 0 | 111.4 | R234 E235 A236 | D232-R234 PolarHBondContact O-N 3.27Å; D232-R234 WeakPolarHBondContact OD1-CB 3.48Å; D232-R234 PolarHBondContact OD1-N 2.99Å; D232-E235 PolarHBondContact O-N 2.85Å; D232-E235 WeakPolarHBondContact OD1-CB 3.23Å; D232-E235 PolarHBondContact OD1-N 3.43Å; D232-A236 PolarHBondContact O-N 3.09Å; D232-A236 VanDerWaalsContact O-N 3.13Å |
| 233 | E | 86.4 | Confident | 90.7 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.9 | -31.6 | 179.2 | -169.3 | 171.9 | -160.4 | 0 | 0 | 112 | A236 Q237 V269 T271 D272 | E233-A236 PolarHBondContact O-N 3.11Å; E233-Q237 WeakPolarHBondContact O-CB 3.4Å; E233-Q237 VanDerWaalsContact O-CG 3.26Å; E233-Q237 WeakPolarHBondContact O-CG 3.16Å; E233-Q237 PolarHBondContact O-N 2.95Å; E233-V269 HydrophobicContact CG-CB 4.26Å; E233-V269 HydrophobicContact CG-CG1 3.87Å; E233-V269 HydrophobicContact CG-CG2 4.12Å; E233-V269 WeakPolarHBondContact OE1-CG1 3.26Å; E233-T271 PolarHBondContact OE1-N 3.14Å; E233-D272 PolarHBondContact OE1-N 2.94Å |
| 234 | R | 87.8 | Confident | 90.8 | Very high | 200 Ų | 200 | 53.2 Ų | 53.2 | 76% | 0.755 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -70.2 | -42.3 | -179.7 | -64.6 | 178.7 | 179.5 | 178.3 | -0 | 111.8 | D232 A236 Q237 S238 | D232-R234 PolarHBondContact O-N 3.27Å; D232-R234 WeakPolarHBondContact OD1-CB 3.48Å; D232-R234 PolarHBondContact OD1-N 2.99Å; R234-A236 VanDerWaalsContact C-N 3.35Å; R234-Q237 PolarHBondContact O-N 2.9Å; R234-S238 WeakPolarHBondContact O-CB 3.48Å; R234-S238 PolarHBondContact O-N 3.29Å |
| 235 | E | 91 | Very high | 90.9 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.8 | -175.3 | 168.9 | -109.6 | 0 | 0 | 109.9 | S200 Y228 P230 R231 D232 Q237 S238 M239 | S200-E235 WeakPolarHBondContact CB-OE1 3.48Å; S200-E235 PolarHBondContact OG-OE1 3.47Å; Y228-E235 PolarHBondContact OH-OE2 3.46Å; P230-E235 HydrophobicContact CB-CB 4.41Å; P230-E235 HydrophobicContact CB-CG 4.4Å; R231-E235 WeakPolarHBondContact CB-OE2 2.99Å; R231-E235 WeakPolarHBondContact CG-OE2 3.09Å; R231-E235 IonicContact CZ-OE1 2.68Å; R231-E235 PolarHBondContact N-OE2 3.02Å; R231-E235 IonicContact NE-OE1 3.72Å; R231-E235 PolarHBondContact NE-OE1 3.42Å; R231-E235 IonicContact NE-OE2 3.85Å; R231-E235 PolarHBondContact NE-OE2 3.12Å; R231-E235 IonicContact NH2-OE1 3.4Å; R231-E235 PolarHBondContact NH2-OE1 3.02Å; D232-E235 PolarHBondContact O-N 2.85Å; D232-E235 WeakPolarHBondContact OD1-CB 3.23Å; D232-E235 PolarHBondContact OD1-N 3.43Å; E235-Q237 PolarHBondContact O-N 3.21Å; E235-S238 PolarHBondContact O-N 2.83Å; E235-M239 HydrophobicContact CG-SD 4.36Å; E235-M239 VanDerWaalsContact O-CG 3.23Å; E235-M239 WeakPolarHBondContact O-CG 3.23Å; E235-M239 PolarHBondContact O-N 3.23Å |
| 236 | A | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P230 D232 E233 R234 S238 M239 C240 L265 V269 | P230-A236 HydrophobicContact CB-CB 3.92Å; P230-A236 HydrophobicContact CG-CB 3.87Å; D232-A236 PolarHBondContact O-N 3.09Å; D232-A236 VanDerWaalsContact O-N 3.13Å; E233-A236 PolarHBondContact O-N 3.11Å; R234-A236 VanDerWaalsContact C-N 3.35Å; A236-S238 PolarHBondContact O-N 3.1Å; A236-M239 PolarHBondContact O-N 2.89Å; A236-C240 PolarHBondContact O-N 3.42Å; A236-C240 PolarHBondContact O-SG 3.41Å; A236-C240 VanDerWaalsContact O-SG 3.35Å; A236-L265 HydrophobicContact CB-CD2 4.29Å; A236-V269 HydrophobicContact CB-CG2 3.63Å |
| 237 | Q | 90.5 | Very high | 91.2 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -75 | 179 | -14 | 0 | 0 | 111.8 | E233 R234 E235 M239 C240 E241 V269 D272 F275 | E233-Q237 WeakPolarHBondContact O-CB 3.4Å; E233-Q237 VanDerWaalsContact O-CG 3.26Å; E233-Q237 WeakPolarHBondContact O-CG 3.16Å; E233-Q237 PolarHBondContact O-N 2.95Å; R234-Q237 PolarHBondContact O-N 2.9Å; E235-Q237 PolarHBondContact O-N 3.21Å; Q237-M239 VanDerWaalsContact C-N 3.34Å; Q237-M239 PolarHBondContact O-N 3.28Å; Q237-C240 WeakPolarHBondContact O-CB 3.2Å; Q237-C240 PolarHBondContact O-N 3.17Å; Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 3.24Å; Q237-V269 HydrophobicContact CG-CG1 4.08Å; Q237-V269 HydrophobicContact CG-CG2 4.27Å; Q237-D272 PolarHBondContact NE2-OD2 3.12Å; Q237-F275 HydrophobicContact CB-CE1 4.26Å; Q237-F275 HydrophobicContact CB-CE2 4.39Å; Q237-F275 HydrophobicContact CB-CZ 3.95Å; Q237-F275 HydrophobicContact CG-CD1 4.05Å; Q237-F275 HydrophobicContact CG-CE1 3.73Å; Q237-F275 HydrophobicContact CG-CE2 4.25Å; Q237-F275 HydrophobicContact CG-CG 4.42Å; Q237-F275 HydrophobicContact CG-CZ 3.85Å |
| 238 | S | 90.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.6 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | R234 E235 A236 E241 R242 | R234-S238 WeakPolarHBondContact O-CB 3.48Å; R234-S238 PolarHBondContact O-N 3.29Å; E235-S238 PolarHBondContact O-N 2.83Å; A236-S238 PolarHBondContact O-N 3.1Å; S238-E241 PolarHBondContact O-N 2.87Å; S238-R242 WeakPolarHBondContact O-CG 3.45Å; S238-R242 PolarHBondContact O-N 2.9Å; S238-R242 VanDerWaalsContact O-N 3.13Å |
| 239 | M | 92.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 173.8 | -69.6 | 178.8 | 65.8 | 0 | 0 | 111.3 | V203 L207 L225 Y228 P230 E235 A236 Q237 E241 R242 V243 L265 | V203-M239 HydrophobicContact CG1-CE 3.78Å; V203-M239 HydrophobicContact CG1-CG 4.08Å; V203-M239 HydrophobicContact CG1-SD 3.86Å; L207-M239 HydrophobicContact CD1-CG 4.06Å; L225-M239 HydrophobicContact CD2-CE 4.2Å; Y228-M239 HydrophobicContact CD1-CE 3.9Å; Y228-M239 HydrophobicContact CD1-SD 3.83Å; Y228-M239 HydrophobicContact CE1-SD 4Å; P230-M239 HydrophobicContact CG-SD 4.08Å; E235-M239 HydrophobicContact CG-SD 4.36Å; E235-M239 VanDerWaalsContact O-CG 3.23Å; E235-M239 WeakPolarHBondContact O-CG 3.23Å; E235-M239 PolarHBondContact O-N 3.23Å; A236-M239 PolarHBondContact O-N 2.89Å; Q237-M239 VanDerWaalsContact C-N 3.34Å; Q237-M239 PolarHBondContact O-N 3.28Å; M239-E241 VanDerWaalsContact C-N 3.34Å; M239-E241 PolarHBondContact O-N 3.32Å; M239-R242 PolarHBondContact O-N 3.04Å; M239-V243 WeakPolarHBondContact O-CG2 3.24Å; M239-V243 PolarHBondContact O-N 3.05Å; M239-L265 HydrophobicContact CB-CD1 3.74Å; M239-L265 HydrophobicContact CE-CD1 4.46Å; M239-L265 HydrophobicContact CE-CD2 4.3Å; M239-L265 HydrophobicContact SD-CD2 4.31Å |
| 240 | C | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 176.4 | -75.3 | 0 | 0 | 0 | 0 | 111.5 | A236 Q237 R242 V243 L244 L262 L265 F275 L279 | A236-C240 PolarHBondContact O-N 3.42Å; A236-C240 PolarHBondContact O-SG 3.41Å; A236-C240 VanDerWaalsContact O-SG 3.35Å; Q237-C240 WeakPolarHBondContact O-CB 3.2Å; Q237-C240 PolarHBondContact O-N 3.17Å; C240-R242 VanDerWaalsContact C-N 3.3Å; C240-R242 PolarHBondContact O-N 3.4Å; C240-V243 PolarHBondContact O-N 3.08Å; C240-L244 VanDerWaalsContact O-CB 3.3Å; C240-L244 WeakPolarHBondContact O-CB 3.49Å; C240-L244 PolarHBondContact O-N 3.47Å; C240-L262 HydrophobicContact CB-CD2 3.87Å; C240-L265 WeakPolarHBondContact SG-CB 3.04Å; C240-L265 VanDerWaalsContact SG-CD1 3.5Å; C240-F275 HydrophobicContact CB-CE1 4.19Å; C240-F275 HydrophobicContact CB-CZ 3.92Å; C240-L279 HydrophobicContact CB-CD1 3.95Å; C240-L279 HydrophobicContact CB-CD2 4.39Å |
| 241 | E | 92 | Very high | 91.8 | Very high | 119 Ų | 119 | 60.8 Ų | 60.8 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 178.8 | -71.1 | 179.2 | 166.5 | 0 | 0 | 112.9 | Q237 S238 M239 P245 | Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 3.24Å; S238-E241 PolarHBondContact O-N 2.87Å; M239-E241 VanDerWaalsContact C-N 3.34Å; M239-E241 PolarHBondContact O-N 3.32Å; E241-P245 WeakPolarHBondContact O-CD 3.38Å |
| 242 | R | 94.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -76.8 | -28.7 | 178.9 | -67.9 | -120.3 | -82.3 | 163.7 | -6.7 | 113.4 | N204 L207 T208 S238 M239 C240 P245 | N204-R242 PolarHBondContact O-NH2 2.89Å; N204-R242 PolarHBondContact OD1-NH2 3.28Å; L207-R242 HydrophobicContact CB-CB 4.48Å; L207-R242 VanDerWaalsContact CB-CZ 3.4Å; L207-R242 VanDerWaalsContact CB-NH2 3.3Å; L207-R242 HydrophobicContact CD1-CB 4.22Å; L207-R242 HydrophobicContact CD2-CB 4.04Å; T208-R242 PolarHBondContact OG1-NH1 2.89Å; S238-R242 WeakPolarHBondContact O-CG 3.45Å; S238-R242 PolarHBondContact O-N 2.9Å; S238-R242 VanDerWaalsContact O-N 3.13Å; M239-R242 PolarHBondContact O-N 3.04Å; C240-R242 VanDerWaalsContact C-N 3.3Å; C240-R242 PolarHBondContact O-N 3.4Å; R242-P245 WeakPolarHBondContact O-CD 3.32Å |
| 243 | V | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81.8 | -31.2 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | L207 L222 M239 C240 P245 R246 A258 V261 L262 | L207-V243 HydrophobicContact CD2-CG2 3.79Å; L222-V243 HydrophobicContact CD2-CG1 3.86Å; L222-V243 HydrophobicContact CD2-CG2 4.16Å; M239-V243 WeakPolarHBondContact O-CG2 3.24Å; M239-V243 PolarHBondContact O-N 3.05Å; C240-V243 PolarHBondContact O-N 3.08Å; V243-P245 VanDerWaalsContact C-N 3.35Å; V243-P245 VanDerWaalsContact O-N 3.13Å; V243-R246 VanDerWaalsContact O-CB 3.22Å; V243-R246 WeakPolarHBondContact O-CB 3.47Å; V243-R246 WeakPolarHBondContact O-CG 3.46Å; V243-R246 PolarHBondContact O-N 3.24Å; V243-A258 HydrophobicContact CG1-CB 3.93Å; V243-V261 HydrophobicContact CG1-CB 4.41Å; V243-V261 HydrophobicContact CG1-CG1 4.42Å; V243-V261 HydrophobicContact CG2-CG1 4.12Å; V243-L262 HydrophobicContact CB-CD2 4.37Å; V243-L262 HydrophobicContact CG1-CD2 4.29Å; V243-L262 HydrophobicContact CG1-CG 4.23Å |
| 244 | L | 94.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -48.5 | -41.3 | -174.3 | -170.3 | 74.8 | 0 | 0 | 0 | 115.3 | C240 R246 L247 L262 L279 K282 | C240-L244 VanDerWaalsContact O-CB 3.3Å; C240-L244 WeakPolarHBondContact O-CB 3.49Å; C240-L244 PolarHBondContact O-N 3.47Å; L244-R246 PolarHBondContact O-N 3.12Å; L244-R246 VanDerWaalsContact O-N 3.14Å; L244-L247 HydrophobicContact CD1-CD1 3.67Å; L244-L247 VanDerWaalsContact O-CB 3.29Å; L244-L247 WeakPolarHBondContact O-CB 3.47Å; L244-L247 WeakPolarHBondContact O-CG 3.28Å; L244-L247 PolarHBondContact O-N 3.05Å; L244-L247 VanDerWaalsContact O-N 3.1Å; L244-L262 HydrophobicContact CD1-CD1 4.45Å; L244-L279 HydrophobicContact CD1-CD2 3.99Å; L244-K282 HydrophobicContact CD1-CB 4.01Å; L244-K282 HydrophobicContact CD1-CD 3.85Å; L244-K282 HydrophobicContact CD2-CD 3.51Å; L244-K282 HydrophobicContact CG-CD 4.16Å |
| 245 | P | 94.4 | Very high | 93.2 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -60.9 | -22.9 | 177.7 | -24.2 | 35.8 | 0 | 0 | 0 | 114.1 | E241 R242 V243 L247 A248 | E241-P245 WeakPolarHBondContact O-CD 3.38Å; R242-P245 WeakPolarHBondContact O-CD 3.32Å; V243-P245 VanDerWaalsContact C-N 3.35Å; V243-P245 VanDerWaalsContact O-N 3.13Å; P245-L247 PolarHBondContact O-N 3.04Å; P245-A248 PolarHBondContact O-N 3.19Å |
| 246 | R | 94.8 | Very high | 93.5 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -69.5 | -17.2 | 178 | -60.5 | -58.1 | 93.5 | 177.6 | 6.4 | 113.2 | L210 V243 L244 A248 H249 V254 A258 | L210-R246 HydrophobicContact CD2-CG 3.9Å; L210-R246 HydrophobicContact CG-CG 4.18Å; V243-R246 VanDerWaalsContact O-CB 3.22Å; V243-R246 WeakPolarHBondContact O-CB 3.47Å; V243-R246 WeakPolarHBondContact O-CG 3.46Å; V243-R246 PolarHBondContact O-N 3.24Å; L244-R246 PolarHBondContact O-N 3.12Å; L244-R246 VanDerWaalsContact O-N 3.14Å; R246-A248 PolarHBondContact O-N 2.83Å; R246-H249 WeakPolarHBondContact O-CB 3.4Å; R246-H249 PolarHBondContact O-N 3.05Å; R246-V254 HydrophobicContact CB-CG1 4.24Å; R246-A258 HydrophobicContact CB-CB 3.8Å |
| 247 | L | 94.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -64.4 | -25.2 | 174.8 | -69 | -175.6 | 0 | 0 | 0 | 113.5 | L244 P245 H249 A258 I259 L262 M283 P286 | L244-L247 HydrophobicContact CD1-CD1 3.67Å; L244-L247 VanDerWaalsContact O-CB 3.29Å; L244-L247 WeakPolarHBondContact O-CB 3.47Å; L244-L247 WeakPolarHBondContact O-CG 3.28Å; L244-L247 PolarHBondContact O-N 3.05Å; L244-L247 VanDerWaalsContact O-N 3.1Å; P245-L247 PolarHBondContact O-N 3.04Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-A258 HydrophobicContact CD2-CB 4.07Å; L247-I259 HydrophobicContact CD2-CD1 4.35Å; L247-I259 HydrophobicContact CD2-CG1 3.52Å; L247-L262 HydrophobicContact CD1-CD1 3.74Å; L247-L262 HydrophobicContact CD2-CD1 3.95Å; L247-L262 HydrophobicContact CG-CD1 4.01Å; L247-M283 HydrophobicContact CD1-CG 4.11Å; L247-P286 HydrophobicContact CB-CB 4.25Å; L247-P286 HydrophobicContact CB-CG 3.65Å; L247-P286 HydrophobicContact CD1-CG 4.22Å; L247-P286 HydrophobicContact CD2-CG 4.49Å; L247-P286 HydrophobicContact CG-CG 4.36Å; L247-P286 WeakPolarHBondContact O-CB 3.43Å |
| 248 | A | 92.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 79% | 0.785 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -91.3 | 10.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | P245 R246 | P245-A248 PolarHBondContact O-N 3.19Å; R246-A248 PolarHBondContact O-N 2.83Å |
| 249 | H | 94.2 | Very high | 94.3 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | trans | -72 | 148 | -178.4 | -165.5 | -87.9 | 0 | 0 | 0 | 111.6 | E215 R246 L247 N251 V254 V255 | E215-H249 IonicContact OE1-CE1 3.05Å; E215-H249 PolarHBondContact OE1-CE1 3.39Å; E215-H249 VanDerWaalsContact OE1-CE1 3.26Å; R246-H249 WeakPolarHBondContact O-CB 3.4Å; R246-H249 PolarHBondContact O-N 3.05Å; L247-H249 VanDerWaalsContact C-N 3.3Å; H249-N251 PolarHBondContact ND1-N 2.96Å; H249-V254 HydrophobicContact CB-CB 4.22Å; H249-V254 HydrophobicContact CB-CG1 3.87Å; H249-V255 HydrophobicContact CB-CG2 4.25Å; H249-V255 VanDerWaalsContact O-CG2 3.23Å; H249-V255 WeakPolarHBondContact O-CG2 3.3Å | ||
| 250 | A | 90.2 | Very high | 94.5 | Very high | 101 Ų | 101 | 34.7 Ų | 34.7 | 84% | 0.835 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -70.6 | -37.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A252 | A250-A252 PolarHBondContact O-N 3.43Š|
| 251 | N | 92.5 | Very high | 94.6 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -76.3 | 121.2 | 178.9 | -172.6 | -33.3 | 0 | 0 | 0 | 112.1 | E215 H249 A253 V254 V255 | E215-N251 HydrophobicContact CG-CB 4.47Å; E215-N251 WeakPolarHBondContact OE1-CB 3.42Å; E215-N251 PolarHBondContact OE2-ND2 2.85Å; H249-N251 PolarHBondContact ND1-N 2.96Å; N251-A253 VanDerWaalsContact C-N 3.27Å; N251-A253 PolarHBondContact O-N 2.69Å; N251-A253 WeakPolarHBondContact OD1-CB 3.34Å; N251-A253 PolarHBondContact OD1-N 3.03Å; N251-V254 HydrophobicContact CB-CG2 4.16Å; N251-V254 PolarHBondContact O-N 3.08Å; N251-V255 PolarHBondContact O-N 2.98Å |
| 252 | A | 93.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 17% | 0.165 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.3 | -34 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A250 V255 L256 L290 I297 | A250-A252 PolarHBondContact O-N 3.43Å; A252-V255 PolarHBondContact O-N 3.18Å; A252-L256 WeakPolarHBondContact O-CG 3.39Å; A252-L256 PolarHBondContact O-N 3.11Å; A252-L290 HydrophobicContact CB-CD2 3.54Å; A252-I297 HydrophobicContact CB-CG2 3.87Å |
| 253 | A | 94 | Very high | 94.6 | Very high | 45 Ų | 45 | 25.8 Ų | 25.8 | 37% | 0.372 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.9 | -44 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V219 N251 V255 L256 S257 | V219-A253 HydrophobicContact CG2-CB 4.03Å; N251-A253 VanDerWaalsContact C-N 3.27Å; N251-A253 PolarHBondContact O-N 2.69Å; N251-A253 WeakPolarHBondContact OD1-CB 3.34Å; N251-A253 PolarHBondContact OD1-N 3.03Å; A253-V255 VanDerWaalsContact C-N 3.31Å; A253-V255 PolarHBondContact O-N 2.63Å; A253-L256 PolarHBondContact O-N 2.8Å; A253-S257 WeakPolarHBondContact O-CB 3.4Å; A253-S257 PolarHBondContact O-N 2.75Å; A253-S257 PolarHBondContact O-OG 3.17Å |
| 254 | V | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | E215 Q218 V219 L222 R246 H249 N251 A258 | E215-V254 HydrophobicContact CB-CG2 4.11Å; Q218-V254 HydrophobicContact CB-CG1 4.34Å; Q218-V254 HydrophobicContact CB-CG2 4.32Å; V219-V254 HydrophobicContact CG2-CG2 3.96Å; L222-V254 HydrophobicContact CD1-CG1 4.14Å; R246-V254 HydrophobicContact CB-CG1 4.24Å; H249-V254 HydrophobicContact CB-CB 4.22Å; H249-V254 HydrophobicContact CB-CG1 3.87Å; N251-V254 HydrophobicContact CB-CG2 4.16Å; N251-V254 PolarHBondContact O-N 3.08Å; V254-A258 VanDerWaalsContact O-CB 3.3Å; V254-A258 WeakPolarHBondContact O-CB 3.35Å; V254-A258 PolarHBondContact O-N 2.97Å |
| 255 | V | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | H249 N251 A252 A253 A258 I259 P286 L290 | H249-V255 HydrophobicContact CB-CG2 4.25Å; H249-V255 VanDerWaalsContact O-CG2 3.23Å; H249-V255 WeakPolarHBondContact O-CG2 3.3Å; N251-V255 PolarHBondContact O-N 2.98Å; A252-V255 PolarHBondContact O-N 3.18Å; A253-V255 VanDerWaalsContact C-N 3.31Å; A253-V255 PolarHBondContact O-N 2.63Å; V255-A258 PolarHBondContact O-N 2.84Å; V255-I259 HydrophobicContact CG1-CD1 3.78Å; V255-I259 WeakPolarHBondContact O-CD1 3.29Å; V255-I259 VanDerWaalsContact O-CG1 3.25Å; V255-I259 WeakPolarHBondContact O-CG1 3.33Å; V255-I259 PolarHBondContact O-N 2.87Å; V255-P286 HydrophobicContact CG1-CB 3.96Å; V255-L290 HydrophobicContact CB-CD2 4.31Å; V255-L290 HydrophobicContact CG1-CD1 4.16Å; V255-L290 HydrophobicContact CG1-CD2 4.28Å; V255-L290 HydrophobicContact CG1-CG 4.33Å |
| 256 | L | 96.1 | Very high | 94 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.6 | -73.4 | 176.1 | 0 | 0 | 0 | 112.3 | A252 A253 A258 I259 K260 L290 V300 N304 I566 | A252-L256 WeakPolarHBondContact O-CG 3.39Å; A252-L256 PolarHBondContact O-N 3.11Å; A253-L256 PolarHBondContact O-N 2.8Å; L256-A258 VanDerWaalsContact C-N 3.34Å; L256-A258 PolarHBondContact O-N 2.61Å; L256-I259 PolarHBondContact O-N 2.87Å; L256-K260 WeakPolarHBondContact O-CB 3.22Å; L256-K260 PolarHBondContact O-N 2.8Å; L256-L290 HydrophobicContact CD2-CD1 3.75Å; L256-L290 HydrophobicContact CG-CD1 4.05Å; L256-V300 HydrophobicContact CD1-CG1 4.24Å; L256-N304 HydrophobicContact CD2-CB 4.14Å; L256-I566 HydrophobicContact CB-CG2 4.29Å; L256-I566 HydrophobicContact CD2-CG2 4.27Å; L256-I566 WeakPolarHBondContact O-CG2 3.42Å |
| 257 | S | 96 | Very high | 93.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -37.4 | 174.1 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | D223 A253 K260 V261 | D223-S257 WeakPolarHBondContact OD1-CB 3.37Å; D223-S257 PolarHBondContact OD1-OG 2.77Å; A253-S257 WeakPolarHBondContact O-CB 3.4Å; A253-S257 PolarHBondContact O-N 2.75Å; A253-S257 PolarHBondContact O-OG 3.17Å; S257-K260 WeakPolarHBondContact O-CB 3.44Å; S257-K260 PolarHBondContact O-N 3.42Å; S257-V261 WeakPolarHBondContact O-CG2 3.18Å; S257-V261 PolarHBondContact O-N 2.92Å; S257-V261 VanDerWaalsContact O-N 3.1Å |
| 258 | A | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L222 V243 R246 L247 V254 V255 L256 K260 V261 L262 | L222-A258 HydrophobicContact CD1-CB 4.19Å; V243-A258 HydrophobicContact CG1-CB 3.93Å; R246-A258 HydrophobicContact CB-CB 3.8Å; L247-A258 HydrophobicContact CD2-CB 4.07Å; V254-A258 VanDerWaalsContact O-CB 3.3Å; V254-A258 WeakPolarHBondContact O-CB 3.35Å; V254-A258 PolarHBondContact O-N 2.97Å; V255-A258 PolarHBondContact O-N 2.84Å; L256-A258 VanDerWaalsContact C-N 3.34Å; L256-A258 PolarHBondContact O-N 2.61Å; A258-K260 VanDerWaalsContact C-N 3.33Å; A258-K260 PolarHBondContact O-N 2.91Å; A258-V261 PolarHBondContact O-N 3.04Å; A258-L262 WeakPolarHBondContact O-CG 3.22Å; A258-L262 PolarHBondContact O-N 3.19Å |
| 259 | I | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.2 | -68.5 | 162.4 | 0 | 0 | 0 | 110.8 | L247 V255 L256 V261 L262 M263 M283 L287 I308 | L247-I259 HydrophobicContact CD2-CD1 4.35Å; L247-I259 HydrophobicContact CD2-CG1 3.52Å; V255-I259 HydrophobicContact CG1-CD1 3.78Å; V255-I259 WeakPolarHBondContact O-CD1 3.29Å; V255-I259 VanDerWaalsContact O-CG1 3.25Å; V255-I259 WeakPolarHBondContact O-CG1 3.33Å; V255-I259 PolarHBondContact O-N 2.87Å; L256-I259 PolarHBondContact O-N 2.87Å; I259-V261 VanDerWaalsContact C-N 3.34Å; I259-V261 PolarHBondContact O-N 2.89Å; I259-L262 PolarHBondContact O-N 2.88Å; I259-M263 HydrophobicContact CG2-CG 3.99Å; I259-M263 WeakPolarHBondContact O-CB 3.35Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.46Å; I259-M263 PolarHBondContact O-N 3.15Å; I259-M283 HydrophobicContact CG2-SD 4.48Å; I259-L287 HydrophobicContact CD1-CD2 3.55Å; I259-L287 HydrophobicContact CD1-CG 4.06Å; I259-I308 HydrophobicContact CG2-CD1 3.7Å |
| 260 | K | 95.9 | Very high | 91 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.9 | -50.7 | 174.6 | 178.8 | 174.5 | 56 | -166.3 | 0 | 111.4 | D223 A226 L256 S257 A258 M263 K264 S564 I566 | D223-K260 VanDerWaalsContact OD1-CE 3.22Å; D223-K260 WeakPolarHBondContact OD1-CE 3.34Å; D223-K260 IonicContact OD1-NZ 2.82Å; D223-K260 PolarHBondContact OD1-NZ 3.49Å; D223-K260 IonicContact OD2-NZ 2.72Å; A226-K260 HydrophobicContact CB-CD 4.22Å; A226-K260 HydrophobicContact CB-CG 4.11Å; L256-K260 WeakPolarHBondContact O-CB 3.22Å; L256-K260 PolarHBondContact O-N 2.8Å; S257-K260 WeakPolarHBondContact O-CB 3.44Å; S257-K260 PolarHBondContact O-N 3.42Å; A258-K260 VanDerWaalsContact C-N 3.33Å; A258-K260 PolarHBondContact O-N 2.91Å; K260-M263 PolarHBondContact O-N 2.96Å; K260-K264 WeakPolarHBondContact O-CG 3.44Å; K260-K264 PolarHBondContact O-N 2.91Å; K260-K264 VanDerWaalsContact O-N 3.14Å; K260-S564 WeakPolarHBondContact CD-O 3.3Å; K260-I566 HydrophobicContact CB-CB 3.91Å; K260-I566 HydrophobicContact CB-CG2 4.16Å; K260-I566 HydrophobicContact CD-CB 4.47Å; K260-I566 WeakPolarHBondContact CD-O 3.39Å; K260-I566 HydrophobicContact CG-CB 4.25Å; K260-I566 PolarHBondContact NZ-O 3.42Å |
| 261 | V | 95.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L222 L225 A226 V243 S257 A258 I259 M263 K264 L265 | L222-V261 HydrophobicContact CB-CG2 4.2Å; L222-V261 HydrophobicContact CD2-CG2 4.17Å; L222-V261 WeakPolarHBondContact O-CG2 3.08Å; L225-V261 HydrophobicContact CB-CG2 4.31Å; A226-V261 HydrophobicContact CB-CG2 3.89Å; V243-V261 HydrophobicContact CG1-CB 4.41Å; V243-V261 HydrophobicContact CG1-CG1 4.42Å; V243-V261 HydrophobicContact CG2-CG1 4.12Å; S257-V261 WeakPolarHBondContact O-CG2 3.18Å; S257-V261 PolarHBondContact O-N 2.92Å; S257-V261 VanDerWaalsContact O-N 3.1Å; A258-V261 PolarHBondContact O-N 3.04Å; I259-V261 VanDerWaalsContact C-N 3.34Å; I259-V261 PolarHBondContact O-N 2.89Å; V261-M263 PolarHBondContact O-N 3.25Å; V261-K264 PolarHBondContact O-N 2.85Å; V261-L265 HydrophobicContact CG1-CD1 3.73Å; V261-L265 HydrophobicContact CG1-CG 4.23Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.49Å; V261-L265 PolarHBondContact O-N 2.97Å |
| 262 | L | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | -179.2 | -67.1 | 175.6 | 0 | 0 | 0 | 112.4 | C240 V243 L244 L247 A258 I259 K264 L265 L266 M283 | C240-L262 HydrophobicContact CB-CD2 3.87Å; V243-L262 HydrophobicContact CB-CD2 4.37Å; V243-L262 HydrophobicContact CG1-CD2 4.29Å; V243-L262 HydrophobicContact CG1-CG 4.23Å; L244-L262 HydrophobicContact CD1-CD1 4.45Å; L247-L262 HydrophobicContact CD1-CD1 3.74Å; L247-L262 HydrophobicContact CD2-CD1 3.95Å; L247-L262 HydrophobicContact CG-CD1 4.01Å; A258-L262 WeakPolarHBondContact O-CG 3.22Å; A258-L262 PolarHBondContact O-N 3.19Å; I259-L262 PolarHBondContact O-N 2.88Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 3.12Å; L262-L265 PolarHBondContact O-N 2.76Å; L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 VanDerWaalsContact O-CG 3.23Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.43Å; L262-M283 HydrophobicContact CB-SD 3.87Å; L262-M283 HydrophobicContact CD1-CG 4.06Å; L262-M283 HydrophobicContact CD1-SD 4.17Å |
| 263 | M | 92.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 178.1 | -74.6 | -66.5 | -70.1 | 0 | 0 | 111.8 | I259 K260 V261 M283 I308 K311 R312 I563 I566 | I259-M263 HydrophobicContact CG2-CG 3.99Å; I259-M263 WeakPolarHBondContact O-CB 3.35Å; I259-M263 VanDerWaalsContact O-CG 3.26Å; I259-M263 WeakPolarHBondContact O-CG 3.46Å; I259-M263 PolarHBondContact O-N 3.15Å; K260-M263 PolarHBondContact O-N 2.96Å; V261-M263 PolarHBondContact O-N 3.25Å; M263-M283 HydrophobicContact CG-SD 4.47Å; M263-M283 HydrophobicContact SD-CE 3.97Å; M263-M283 HydrophobicContact SD-SD 4.33Å; M263-I308 HydrophobicContact CE-CB 4.5Å; M263-I308 HydrophobicContact CE-CG1 4.45Å; M263-I308 HydrophobicContact CE-CG2 4.04Å; M263-I308 HydrophobicContact SD-CG2 4.14Å; M263-K311 HydrophobicContact CE-CB 4.09Å; M263-K311 HydrophobicContact CE-CG 4Å; M263-R312 HydrophobicContact CE-CG 4.01Å; M263-R312 HydrophobicContact SD-CG 4.44Å; M263-I563 HydrophobicContact CB-CG2 3.95Å; M263-I563 HydrophobicContact CE-CD1 4.14Å; M263-I566 HydrophobicContact CG-CD1 4.39Å |
| 264 | K | 91.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71 | -41.9 | 175.8 | -68.1 | -169 | 78.5 | 179.6 | 0 | 112.7 | A226 K260 V261 L262 L266 E267 S564 | A226-K264 HydrophobicContact CB-CD 4.28Å; A226-K264 VanDerWaalsContact O-CD 3.26Å; A226-K264 WeakPolarHBondContact O-CD 3.34Å; A226-K264 VanDerWaalsContact O-CE 3.28Å; A226-K264 WeakPolarHBondContact O-CE 3.47Å; A226-K264 PolarHBondContact O-NZ 3.48Å; K260-K264 WeakPolarHBondContact O-CG 3.44Å; K260-K264 PolarHBondContact O-N 2.91Å; K260-K264 VanDerWaalsContact O-N 3.14Å; V261-K264 PolarHBondContact O-N 2.85Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 3.12Å; K264-L266 VanDerWaalsContact C-N 3.27Å; K264-L266 PolarHBondContact O-N 3.39Å; K264-E267 WeakPolarHBondContact O-CB 3.26Å; K264-E267 PolarHBondContact O-N 3.13Å; K264-E267 VanDerWaalsContact O-N 3.16Å; K264-S564 WeakPolarHBondContact CE-OG 3.27Å |
| 265 | L | 91 | Very high | 87.8 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -33.9 | 177.4 | -67.7 | 175.9 | 0 | 0 | 0 | 111.8 | P230 A236 M239 C240 V261 L262 E267 Q268 V269 | P230-L265 HydrophobicContact CG-CD2 3.35Å; A236-L265 HydrophobicContact CB-CD2 4.29Å; M239-L265 HydrophobicContact CB-CD1 3.74Å; M239-L265 HydrophobicContact CE-CD1 4.46Å; M239-L265 HydrophobicContact CE-CD2 4.3Å; M239-L265 HydrophobicContact SD-CD2 4.31Å; C240-L265 WeakPolarHBondContact SG-CB 3.04Å; C240-L265 VanDerWaalsContact SG-CD1 3.5Å; V261-L265 HydrophobicContact CG1-CD1 3.73Å; V261-L265 HydrophobicContact CG1-CG 4.23Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.49Å; V261-L265 PolarHBondContact O-N 2.97Å; L262-L265 PolarHBondContact O-N 2.76Å; L265-E267 PolarHBondContact O-N 3.05Å; L265-Q268 PolarHBondContact O-N 2.91Å; L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 2.86Å; L265-V269 VanDerWaalsContact O-N 3.17Å |
| 266 | L | 88 | Confident | 87.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | 174.8 | -80.5 | 173.1 | 0 | 0 | 0 | 114.2 | L262 K264 Q268 V276 L279 M283 R312 | L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 VanDerWaalsContact O-CG 3.23Å; L262-L266 WeakPolarHBondContact O-CG 3.48Å; L262-L266 PolarHBondContact O-N 3.43Å; K264-L266 VanDerWaalsContact C-N 3.27Å; K264-L266 PolarHBondContact O-N 3.39Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; L266-V276 HydrophobicContact CD2-CB 4.17Å; L266-V276 HydrophobicContact CD2-CG1 4.12Å; L266-V276 HydrophobicContact CD2-CG2 3.89Å; L266-L279 HydrophobicContact CD1-CB 4.46Å; L266-L279 HydrophobicContact CD2-CB 4.13Å; L266-L279 HydrophobicContact CD2-CD1 3.62Å; L266-L279 HydrophobicContact CD2-CG 4.48Å; L266-L279 HydrophobicContact CG-CD1 4.12Å; L266-M283 HydrophobicContact CD1-CE 3.54Å; L266-M283 HydrophobicContact CD1-SD 4.5Å; L266-R312 PolarHBondContact O-NH2 3Å |
| 267 | E | 84.2 | Confident | 86.9 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.9 | 173.4 | -60.5 | -171.4 | 152.7 | 0 | 0 | 112.5 | K264 L265 T270 K311 | K264-E267 WeakPolarHBondContact O-CB 3.26Å; K264-E267 PolarHBondContact O-N 3.13Å; K264-E267 VanDerWaalsContact O-N 3.16Å; L265-E267 PolarHBondContact O-N 3.05Å; E267-T270 WeakPolarHBondContact O-CG2 3.48Å; E267-K311 WeakPolarHBondContact OE1-CE 3.28Å; E267-K311 IonicContact OE1-NZ 3.42Å; E267-K311 PolarHBondContact OE1-NZ 2.85Å |
| 268 | Q | 81.1 | Confident | 86.6 | Confident | 103 Ų | 103 | 40.9 Ų | 40.9 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -26.6 | 177.2 | -59.2 | -65.9 | -23.2 | 0 | 0 | 112.1 | L265 L266 T270 | L265-Q268 PolarHBondContact O-N 2.91Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; Q268-T270 PolarHBondContact O-N 3.14Å |
| 269 | V | 78.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -95.1 | 66.3 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | E233 A236 Q237 L265 D272 F275 V276 | E233-V269 HydrophobicContact CG-CB 4.26Å; E233-V269 HydrophobicContact CG-CG1 3.87Å; E233-V269 HydrophobicContact CG-CG2 4.12Å; E233-V269 WeakPolarHBondContact OE1-CG1 3.26Å; A236-V269 HydrophobicContact CB-CG2 3.63Å; Q237-V269 HydrophobicContact CG-CG1 4.08Å; Q237-V269 HydrophobicContact CG-CG2 4.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.49Å; L265-V269 PolarHBondContact O-N 2.86Å; L265-V269 VanDerWaalsContact O-N 3.17Å; V269-D272 HydrophobicContact CG1-CB 4.37Å; V269-F275 HydrophobicContact CG1-CD1 3.74Å; V269-F275 HydrophobicContact CG1-CE1 4.28Å; V269-V276 WeakPolarHBondContact O-CG2 3.47Å | ||
| 270 | T | 70 | Confident | 85.9 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 64% | 0.638 | 24% | 0.243 | S | C | * | . | trans | -89.4 | -19.3 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | E267 Q268 | E267-T270 WeakPolarHBondContact O-CG2 3.48Å; Q268-T270 PolarHBondContact O-N 3.14Å | ||
| 271 | T | 71.1 | Confident | 85.7 | Confident | 117 Ų | 117 | 49.3 Ų | 49.3 | 72% | 0.718 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -83.8 | -33.6 | -170.6 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | E233 G273 | E233-T271 PolarHBondContact OE1-N 3.14Å; T271-G273 PolarHBondContact O-N 3.23Å |
| 272 | D | 75.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 32% | 0.316 | 30% | 0.295 | S | S | . | . | trans | -90.9 | 85.4 | 177.2 | -166.9 | -18.9 | 0 | 0 | 0 | 112.6 | E233 Q237 V269 D274 F275 V276 | E233-D272 PolarHBondContact OE1-N 2.94Å; Q237-D272 PolarHBondContact NE2-OD2 3.12Å; V269-D272 HydrophobicContact CG1-CB 4.37Å; D272-D274 PolarHBondContact O-N 3.04Å; D272-D274 PolarHBondContact OD1-N 3.27Å; D272-F275 HydrophobicContact CB-CB 3.9Å; D272-F275 PolarHBondContact O-N 3.45Å; D272-F275 PolarHBondContact OD1-N 3.27Å; D272-F275 WeakPolarHBondContact OD2-CB 3.43Å; D272-V276 WeakPolarHBondContact O-CG2 3.37Å; D272-V276 PolarHBondContact O-N 3.32Å; D272-V276 VanDerWaalsContact O-N 3.1Å | ||
| 273 | G | 80 | Confident | 85.5 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -31.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | T271 A277 | T271-G273 PolarHBondContact O-N 3.23Å; G273-A277 WeakPolarHBondContact O-CB 3.35Å; G273-A277 PolarHBondContact O-N 3.03Å |
| 274 | D | 85.6 | Confident | 85.5 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 75% | 0.749 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.5 | -41.2 | 179.4 | -71.7 | -26.3 | 0 | 0 | 0 | 110.8 | D272 A277 M278 | D272-D274 PolarHBondContact O-N 3.04Å; D272-D274 PolarHBondContact OD1-N 3.27Å; D274-A277 PolarHBondContact O-N 2.97Å; D274-M278 WeakPolarHBondContact O-CB 3.38Å; D274-M278 PolarHBondContact O-N 3.06Å |
| 275 | F | 86.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.8 | -172.5 | -98.6 | 0 | 0 | 0 | 112.2 | Q237 C240 V269 D272 A277 M278 L279 | Q237-F275 HydrophobicContact CB-CE1 4.26Å; Q237-F275 HydrophobicContact CB-CE2 4.39Å; Q237-F275 HydrophobicContact CB-CZ 3.95Å; Q237-F275 HydrophobicContact CG-CD1 4.05Å; Q237-F275 HydrophobicContact CG-CE1 3.73Å; Q237-F275 HydrophobicContact CG-CE2 4.25Å; Q237-F275 HydrophobicContact CG-CG 4.42Å; Q237-F275 HydrophobicContact CG-CZ 3.85Å; C240-F275 HydrophobicContact CB-CE1 4.19Å; C240-F275 HydrophobicContact CB-CZ 3.92Å; V269-F275 HydrophobicContact CG1-CD1 3.74Å; V269-F275 HydrophobicContact CG1-CE1 4.28Å; D272-F275 HydrophobicContact CB-CB 3.9Å; D272-F275 PolarHBondContact O-N 3.45Å; D272-F275 PolarHBondContact OD1-N 3.27Å; D272-F275 WeakPolarHBondContact OD2-CB 3.43Å; F275-A277 VanDerWaalsContact C-N 3.34Å; F275-A277 PolarHBondContact O-N 3.35Å; F275-M278 HydrophobicContact CD2-CE 3.59Å; F275-M278 HydrophobicContact CE2-CE 3.53Å; F275-M278 HydrophobicContact CG-CE 4.4Å; F275-M278 HydrophobicContact CZ-CE 4.3Å; F275-M278 PolarHBondContact O-N 2.78Å; F275-L279 HydrophobicContact CD1-CD1 3.79Å; F275-L279 HydrophobicContact CD1-CG 4.24Å; F275-L279 HydrophobicContact CE1-CD1 3.24Å; F275-L279 HydrophobicContact CE1-CG 3.91Å; F275-L279 HydrophobicContact CZ-CD1 3.82Å; F275-L279 HydrophobicContact CZ-CD2 4.41Å; F275-L279 HydrophobicContact CZ-CG 4.16Å; F275-L279 PolarHBondContact O-N 3.07Å |
| 276 | V | 86 | Confident | 85.8 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 11% | 0.109 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L266 V269 D272 L279 S280 | L266-V276 HydrophobicContact CD2-CB 4.17Å; L266-V276 HydrophobicContact CD2-CG1 4.12Å; L266-V276 HydrophobicContact CD2-CG2 3.89Å; V269-V276 WeakPolarHBondContact O-CG2 3.47Å; D272-V276 WeakPolarHBondContact O-CG2 3.37Å; D272-V276 PolarHBondContact O-N 3.32Å; D272-V276 VanDerWaalsContact O-N 3.1Å; V276-L279 PolarHBondContact O-N 2.68Å; V276-S280 WeakPolarHBondContact O-CB 3.49Å; V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.87Å |
| 277 | A | 87 | Confident | 86.1 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | G273 D274 F275 S280 K281 | G273-A277 WeakPolarHBondContact O-CB 3.35Å; G273-A277 PolarHBondContact O-N 3.03Å; D274-A277 PolarHBondContact O-N 2.97Å; F275-A277 VanDerWaalsContact C-N 3.34Å; F275-A277 PolarHBondContact O-N 3.35Å; A277-S280 PolarHBondContact O-N 3.25Å; A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.38Å |
| 278 | M | 90.1 | Very high | 86.5 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 176 | -178.6 | -82 | -67.5 | 0 | 0 | 111.7 | D274 F275 K281 K282 | D274-M278 WeakPolarHBondContact O-CB 3.38Å; D274-M278 PolarHBondContact O-N 3.06Å; F275-M278 HydrophobicContact CD2-CE 3.59Å; F275-M278 HydrophobicContact CE2-CE 3.53Å; F275-M278 HydrophobicContact CG-CE 4.4Å; F275-M278 HydrophobicContact CZ-CE 4.3Å; F275-M278 PolarHBondContact O-N 2.78Å; M278-K281 PolarHBondContact O-N 2.93Å; M278-K282 WeakPolarHBondContact O-CG 2.77Å; M278-K282 PolarHBondContact O-N 3.01Å; M278-K282 HydrophobicContact SD-CD 3.59Å; M278-K282 VanDerWaalsContact SD-CD 3.59Å; M278-K282 WeakPolarHBondContact SD-CE 3.45Å; M278-K282 HydrophobicContact SD-CG 4.2Å; M278-K282 PolarHBondContact SD-NZ 3.43Å; M278-K282 VanDerWaalsContact SD-NZ 3.4Å |
| 279 | L | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.6 | -73.8 | -177.2 | 0 | 0 | 0 | 112.2 | C240 L244 L266 F275 V276 K281 K282 M283 | C240-L279 HydrophobicContact CB-CD1 3.95Å; C240-L279 HydrophobicContact CB-CD2 4.39Å; L244-L279 HydrophobicContact CD1-CD2 3.99Å; L266-L279 HydrophobicContact CD1-CB 4.46Å; L266-L279 HydrophobicContact CD2-CB 4.13Å; L266-L279 HydrophobicContact CD2-CD1 3.62Å; L266-L279 HydrophobicContact CD2-CG 4.48Å; L266-L279 HydrophobicContact CG-CD1 4.12Å; F275-L279 HydrophobicContact CD1-CD1 3.79Å; F275-L279 HydrophobicContact CD1-CG 4.24Å; F275-L279 HydrophobicContact CE1-CD1 3.24Å; F275-L279 HydrophobicContact CE1-CG 3.91Å; F275-L279 HydrophobicContact CZ-CD1 3.82Å; F275-L279 HydrophobicContact CZ-CD2 4.41Å; F275-L279 HydrophobicContact CZ-CG 4.16Å; F275-L279 PolarHBondContact O-N 3.07Å; V276-L279 PolarHBondContact O-N 2.68Å; L279-K281 VanDerWaalsContact C-N 3.3Å; L279-K281 PolarHBondContact O-N 2.73Å; L279-K282 PolarHBondContact O-N 3.37Å; L279-M283 WeakPolarHBondContact O-CG 3.32Å; L279-M283 PolarHBondContact O-N 3.22Å |
| 280 | S | 89.3 | Confident | 87.7 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | V276 A277 K282 M283 A284 | V276-S280 WeakPolarHBondContact O-CB 3.49Å; V276-S280 PolarHBondContact O-N 2.83Å; V276-S280 PolarHBondContact O-OG 2.87Å; A277-S280 PolarHBondContact O-N 3.25Å; S280-K282 VanDerWaalsContact C-N 3.31Å; S280-K282 PolarHBondContact O-N 3.36Å; S280-M283 PolarHBondContact O-N 3.42Å; S280-A284 PolarHBondContact O-N 2.88Å |
| 281 | K | 90.7 | Very high | 88.8 | Confident | 168 Ų | 168 | 49.5 Ų | 49.5 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.1 | -35.2 | 175.8 | -176.2 | 174.7 | -179.4 | 179.1 | 0 | 112.7 | A277 M278 L279 P285 | A277-K281 WeakPolarHBondContact O-CB 3.37Å; A277-K281 PolarHBondContact O-N 3.38Å; M278-K281 PolarHBondContact O-N 2.93Å; L279-K281 VanDerWaalsContact C-N 3.3Å; L279-K281 PolarHBondContact O-N 2.73Å; K281-P285 VanDerWaalsContact O-CD 3.28Å; K281-P285 WeakPolarHBondContact O-CD 3.24Å |
| 282 | K | 92.1 | Very high | 89.8 | Confident | 97 Ų | 97 | 48.6 Ų | 48.6 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -77.9 | -25.7 | 178.3 | -71.9 | -170 | -178.3 | 170.7 | 0 | 113.9 | L244 M278 L279 S280 P286 | L244-K282 HydrophobicContact CD1-CB 4.01Å; L244-K282 HydrophobicContact CD1-CD 3.85Å; L244-K282 HydrophobicContact CD2-CD 3.51Å; L244-K282 HydrophobicContact CG-CD 4.16Å; M278-K282 WeakPolarHBondContact O-CG 2.77Å; M278-K282 PolarHBondContact O-N 3.01Å; M278-K282 HydrophobicContact SD-CD 3.59Å; M278-K282 VanDerWaalsContact SD-CD 3.59Å; M278-K282 WeakPolarHBondContact SD-CE 3.45Å; M278-K282 HydrophobicContact SD-CG 4.2Å; M278-K282 PolarHBondContact SD-NZ 3.43Å; M278-K282 VanDerWaalsContact SD-NZ 3.4Å; L279-K282 PolarHBondContact O-N 3.37Å; S280-K282 VanDerWaalsContact C-N 3.31Å; S280-K282 PolarHBondContact O-N 3.36Å; K282-P286 WeakPolarHBondContact O-CD 3.44Å |
| 283 | M | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.3 | -23.2 | 175.1 | -71.5 | -172.8 | -61.9 | 0 | 0 | 113.2 | L247 I259 L262 M263 L266 L279 S280 P286 L287 I315 | L247-M283 HydrophobicContact CD1-CG 4.11Å; I259-M283 HydrophobicContact CG2-SD 4.48Å; L262-M283 HydrophobicContact CB-SD 3.87Å; L262-M283 HydrophobicContact CD1-CG 4.06Å; L262-M283 HydrophobicContact CD1-SD 4.17Å; M263-M283 HydrophobicContact CG-SD 4.47Å; M263-M283 HydrophobicContact SD-CE 3.97Å; M263-M283 HydrophobicContact SD-SD 4.33Å; L266-M283 HydrophobicContact CD1-CE 3.54Å; L266-M283 HydrophobicContact CD1-SD 4.5Å; L279-M283 WeakPolarHBondContact O-CG 3.32Å; L279-M283 PolarHBondContact O-N 3.22Å; S280-M283 PolarHBondContact O-N 3.42Å; M283-P286 WeakPolarHBondContact O-CD 3.32Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 2.84Å; M283-I315 HydrophobicContact CB-CD1 4Å; M283-I315 HydrophobicContact CE-CD1 3.92Å |
| 284 | A | 93.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -50.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S280 L287 V288 I315 L316 | S280-A284 PolarHBondContact O-N 2.88Å; A284-L287 PolarHBondContact O-N 3.25Å; A284-V288 PolarHBondContact O-N 3.13Å; A284-V288 VanDerWaalsContact O-N 3.1Å; A284-I315 VanDerWaalsContact CB-O 3.25Å; A284-I315 WeakPolarHBondContact CB-O 3.3Å; A284-L316 HydrophobicContact CB-CD2 4.09Å |
| 285 | P | 93.8 | Very high | 91.5 | Very high | 70 Ų | 70 | 45 Ų | 45 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 179.6 | -18.5 | 29.3 | 0 | 0 | 0 | 114.3 | K281 L287 V288 T289 | K281-P285 VanDerWaalsContact O-CD 3.28Å; K281-P285 WeakPolarHBondContact O-CD 3.24Å; P285-L287 PolarHBondContact O-N 2.76Å; P285-V288 WeakPolarHBondContact O-CB 3.47Å; P285-V288 PolarHBondContact O-N 3.46Å; P285-T289 PolarHBondContact O-N 2.84Å; P285-T289 PolarHBondContact O-OG1 2.81Å; P285-T289 VanDerWaalsContact O-OG1 3.05Å |
| 286 | P | 94.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 172.2 | -26.6 | 32.3 | 0 | 0 | 0 | 113.7 | L247 V255 K282 M283 V288 T289 L290 | L247-P286 HydrophobicContact CB-CB 4.25Å; L247-P286 HydrophobicContact CB-CG 3.65Å; L247-P286 HydrophobicContact CD1-CG 4.22Å; L247-P286 HydrophobicContact CD2-CG 4.49Å; L247-P286 HydrophobicContact CG-CG 4.36Å; L247-P286 WeakPolarHBondContact O-CB 3.43Å; V255-P286 HydrophobicContact CG1-CB 3.96Å; K282-P286 WeakPolarHBondContact O-CD 3.44Å; M283-P286 WeakPolarHBondContact O-CD 3.32Å; P286-V288 VanDerWaalsContact C-N 3.27Å; P286-V288 PolarHBondContact O-N 3.22Å; P286-T289 PolarHBondContact O-N 2.97Å; P286-L290 WeakPolarHBondContact O-CG 3.45Å; P286-L290 PolarHBondContact O-N 3.18Å; P286-L290 VanDerWaalsContact O-N 3.1Å |
| 287 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 177 | -70.8 | 171.8 | 0 | 0 | 0 | 111.8 | I259 M283 A284 P285 I305 I308 I315 L316 | I259-L287 HydrophobicContact CD1-CD2 3.55Å; I259-L287 HydrophobicContact CD1-CG 4.06Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 2.84Å; A284-L287 PolarHBondContact O-N 3.25Å; P285-L287 PolarHBondContact O-N 2.76Å; L287-I305 HydrophobicContact CB-CD1 4.36Å; L287-I305 HydrophobicContact CB-CG1 4.27Å; L287-I305 HydrophobicContact CD2-CG1 3.78Å; L287-I305 HydrophobicContact CG-CG1 4.47Å; L287-I308 HydrophobicContact CD1-CD1 4.46Å; L287-I308 HydrophobicContact CD1-CG2 4.31Å; L287-I308 HydrophobicContact CD2-CD1 3.85Å; L287-I315 HydrophobicContact CD1-CD1 3.81Å; L287-L316 HydrophobicContact CB-CD2 4.46Å; L287-L316 HydrophobicContact CD1-CD1 4.21Å |
| 288 | V | 93.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175 | 164.8 | 0 | 0 | 0 | 0 | 111.5 | A284 P285 P286 L290 L291 L316 E319 V322 | A284-V288 PolarHBondContact O-N 3.13Å; A284-V288 VanDerWaalsContact O-N 3.1Å; P285-V288 WeakPolarHBondContact O-CB 3.47Å; P285-V288 PolarHBondContact O-N 3.46Å; P286-V288 VanDerWaalsContact C-N 3.27Å; P286-V288 PolarHBondContact O-N 3.22Å; V288-L290 VanDerWaalsContact C-N 3.26Å; V288-L290 PolarHBondContact O-N 3.14Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.78Å; V288-L316 HydrophobicContact CG2-CD2 3.98Å; V288-E319 HydrophobicContact CG2-CB 3.95Å; V288-E319 HydrophobicContact CG2-CG 3.92Å; V288-V322 HydrophobicContact CB-CG1 4.4Å; V288-V322 HydrophobicContact CG1-CB 4.43Å; V288-V322 HydrophobicContact CG1-CG1 3.8Å; V288-V322 HydrophobicContact CG1-CG2 3.78Å; V288-V322 HydrophobicContact CG2-CG1 4.32Å; V288-V322 HydrophobicContact CG2-CG2 4.1Å |
| 289 | T | 92.5 | Very high | 93 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -35.1 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 112 | P285 P286 L291 S292 | P285-T289 PolarHBondContact O-N 2.84Å; P285-T289 PolarHBondContact O-OG1 2.81Å; P285-T289 VanDerWaalsContact O-OG1 3.05Å; P286-T289 PolarHBondContact O-N 2.97Å; T289-L291 PolarHBondContact O-N 3.36Å; T289-S292 WeakPolarHBondContact O-CB 3.44Å; T289-S292 PolarHBondContact O-N 2.84Å |
| 290 | L | 93.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -26.3 | 175.2 | -67.3 | 177.6 | 0 | 0 | 0 | 113.1 | A252 V255 L256 P286 V288 S292 A293 A301 | A252-L290 HydrophobicContact CB-CD2 3.54Å; V255-L290 HydrophobicContact CB-CD2 4.31Å; V255-L290 HydrophobicContact CG1-CD1 4.16Å; V255-L290 HydrophobicContact CG1-CD2 4.28Å; V255-L290 HydrophobicContact CG1-CG 4.33Å; L256-L290 HydrophobicContact CD2-CD1 3.75Å; L256-L290 HydrophobicContact CG-CD1 4.05Å; P286-L290 WeakPolarHBondContact O-CG 3.45Å; P286-L290 PolarHBondContact O-N 3.18Å; P286-L290 VanDerWaalsContact O-N 3.1Å; V288-L290 VanDerWaalsContact C-N 3.26Å; V288-L290 PolarHBondContact O-N 3.14Å; L290-S292 PolarHBondContact O-N 2.81Å; L290-A293 WeakPolarHBondContact O-CB 3.39Å; L290-A293 PolarHBondContact O-N 2.83Å; L290-A301 HydrophobicContact CB-CB 3.7Å; L290-A301 HydrophobicContact CD1-CB 4.22Å |
| 291 | L | 93.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5 | 177.8 | -56.5 | -179.3 | 0 | 0 | 0 | 113.4 | V288 T289 Q298 A301 L302 I305 V322 F323 | V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.78Å; T289-L291 PolarHBondContact O-N 3.36Å; L291-Q298 WeakPolarHBondContact O-CG 3.42Å; L291-Q298 PolarHBondContact O-OE1 3.37Å; L291-A301 HydrophobicContact CD2-CB 4.22Å; L291-L302 HydrophobicContact CD1-CD2 4.2Å; L291-L302 HydrophobicContact CD2-CD1 4.43Å; L291-L302 HydrophobicContact CD2-CD2 3.47Å; L291-L302 VanDerWaalsContact CD2-CD2 3.47Å; L291-L302 HydrophobicContact CD2-CG 3.56Å; L291-L302 HydrophobicContact CG-CD2 4.5Å; L291-I305 HydrophobicContact CD1-CD1 4.16Å; L291-I305 HydrophobicContact CD2-CD1 3.83Å; L291-I305 HydrophobicContact CG-CD1 4.1Å; L291-V322 HydrophobicContact CB-CG1 4.31Å; L291-V322 HydrophobicContact CD1-CG1 3.66Å; L291-F323 HydrophobicContact CD1-CD1 4.01Å; L291-F323 HydrophobicContact CD1-CE1 3.53Å; L291-F323 HydrophobicContact CD1-CZ 4.05Å |
| 292 | S | 90.8 | Very high | 94 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -1.3 | 173.5 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | T289 L290 | T289-S292 WeakPolarHBondContact O-CB 3.44Å; T289-S292 PolarHBondContact O-N 2.84Å; L290-S292 PolarHBondContact O-N 2.81Å |
| 293 | A | 92 | Very high | 94.2 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -78.5 | -174.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L290 I297 Q298 | L290-A293 WeakPolarHBondContact O-CB 3.39Å; L290-A293 PolarHBondContact O-N 2.83Å; A293-I297 HydrophobicContact CB-CB 3.73Å; A293-I297 HydrophobicContact CB-CD1 4.23Å; A293-I297 HydrophobicContact CB-CG2 3.55Å; A293-Q298 WeakPolarHBondContact O-CG 3.43Å; A293-Q298 PolarHBondContact O-NE2 3.46Å |
| 294 | E | 92.3 | Very high | 94.3 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | trans | -62.3 | 152 | 173.8 | -65.4 | 176.6 | 174.7 | 0 | 0 | 111 | E296 I297 Q298 K753 | E294-E296 VanDerWaalsContact C-N 3.28Å; E294-E296 PolarHBondContact O-N 2.76Å; E294-E296 VanDerWaalsContact O-N 3.15Å; E294-I297 HydrophobicContact CB-CD1 4.47Å; E294-I297 WeakPolarHBondContact O-CA 3.33Å; E294-I297 WeakPolarHBondContact O-CB 3.3Å; E294-I297 PolarHBondContact O-N 2.79Å; E294-Q298 PolarHBondContact O-N 3.19Å; E294-K753 IonicContact OE1-NZ 2.77Å; E294-K753 PolarHBondContact OE1-NZ 3.11Å; E294-K753 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 295 | P | 93.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.2 | -34.2 | -169.6 | -26.4 | 35.3 | 0 | 0 | 0 | 115.4 | Q298 Y299 P330 Y332 V333 | P295-Q298 PolarHBondContact O-N 2.78Å; P295-Y299 WeakPolarHBondContact O-CB 3.44Å; P295-Y299 PolarHBondContact O-N 3.11Å; P295-P330 HydrophobicContact CB-CG 3.66Å; P295-P330 HydrophobicContact CG-CG 4.36Å; P295-Y332 WeakPolarHBondContact CB-OH 3.41Å; P295-V333 HydrophobicContact CB-CG2 4.36Å |
| 296 | E | 95 | Very high | 94.4 | Very high | 112 Ų | 112 | 36.7 Ų | 36.7 | 52% | 0.523 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.2 | -62 | 74.2 | -164.9 | 0 | 0 | 110.9 | E294 Y299 V300 | E294-E296 VanDerWaalsContact C-N 3.28Å; E294-E296 PolarHBondContact O-N 2.76Å; E294-E296 VanDerWaalsContact O-N 3.15Å; E296-Y299 PolarHBondContact O-N 2.84Å; E296-V300 WeakPolarHBondContact O-CG2 3.21Å; E296-V300 PolarHBondContact O-N 3.39Å; E296-V300 VanDerWaalsContact O-N 3.11Å |
| 297 | I | 94.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 35.9 Ų | 35.9 | 33% | 0.328 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.5 | -41.5 | 176.2 | -58.1 | 175.4 | 0 | 0 | 0 | 110 | A252 A293 E294 Y299 V300 A301 | A252-I297 HydrophobicContact CB-CG2 3.87Å; A293-I297 HydrophobicContact CB-CB 3.73Å; A293-I297 HydrophobicContact CB-CD1 4.23Å; A293-I297 HydrophobicContact CB-CG2 3.55Å; E294-I297 HydrophobicContact CB-CD1 4.47Å; E294-I297 WeakPolarHBondContact O-CA 3.33Å; E294-I297 WeakPolarHBondContact O-CB 3.3Å; E294-I297 PolarHBondContact O-N 2.79Å; I297-Y299 VanDerWaalsContact C-N 3.3Å; I297-Y299 PolarHBondContact O-N 2.87Å; I297-V300 PolarHBondContact O-N 2.77Å; I297-A301 WeakPolarHBondContact O-CB 3.14Å; I297-A301 PolarHBondContact O-N 3.41Å |
| 298 | Q | 94.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 174.5 | -66.4 | -176.1 | 38.4 | 0 | 0 | 110.8 | L291 A293 E294 P295 A301 L302 V333 | L291-Q298 WeakPolarHBondContact O-CG 3.42Å; L291-Q298 PolarHBondContact O-OE1 3.37Å; A293-Q298 WeakPolarHBondContact O-CG 3.43Å; A293-Q298 PolarHBondContact O-NE2 3.46Å; E294-Q298 PolarHBondContact O-N 3.19Å; P295-Q298 PolarHBondContact O-N 2.78Å; Q298-A301 CarbonylContact O-C 3.12Å; Q298-A301 PolarHBondContact O-N 3.26Å; Q298-L302 WeakPolarHBondContact O-CB 3.05Å; Q298-L302 WeakPolarHBondContact O-CD1 3.29Å; Q298-L302 WeakPolarHBondContact O-CG 3.47Å; Q298-L302 PolarHBondContact O-N 2.99Å; Q298-V333 HydrophobicContact CB-CG2 4.38Å |
| 299 | Y | 96.7 | Very high | 94.3 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 178.9 | 177.4 | -105.9 | 0 | 0 | 0 | 112.1 | P295 E296 I297 A301 L302 R303 Y332 E336 V572 | P295-Y299 WeakPolarHBondContact O-CB 3.44Å; P295-Y299 PolarHBondContact O-N 3.11Å; E296-Y299 PolarHBondContact O-N 2.84Å; I297-Y299 VanDerWaalsContact C-N 3.3Å; I297-Y299 PolarHBondContact O-N 2.87Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.19Å; Y299-L302 PolarHBondContact O-N 3.33Å; Y299-R303 HydrophobicContact CE1-CG 4.23Å; Y299-R303 HydrophobicContact CE2-CG 4.22Å; Y299-R303 WeakPolarHBondContact O-CB 3.42Å; Y299-R303 WeakPolarHBondContact O-CG 3.37Å; Y299-R303 PolarHBondContact O-N 3.01Å; Y299-R303 PolarHBondContact OH-NE 2.91Å; Y299-R303 VanDerWaalsContact OH-NE 3.13Å; Y299-R303 PolarHBondContact OH-NH2 3.5Å; Y299-Y332 AromaticContact CD2-CD2 3.62Å; Y299-Y332 HydrophobicContact CD2-CD2 3.62Å; Y299-Y332 HydrophobicContact CD2-CE2 4.45Å; Y299-Y332 HydrophobicContact CD2-CG 4.48Å; Y299-Y332 HydrophobicContact CE2-CD2 4.31Å; Y299-Y332 AromaticContact CG-CD2 3.75Å; Y299-Y332 HydrophobicContact CG-CD2 3.75Å; Y299-Y332 HydrophobicContact CG-CE2 4.17Å; Y299-E336 HydrophobicContact CD2-CG 3.76Å; Y299-E336 HydrophobicContact CE2-CG 3.55Å; Y299-V572 HydrophobicContact CE1-CG1 4.1Å |
| 300 | V | 96 | Very high | 94.2 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L256 E296 I297 R303 N304 V572 | L256-V300 HydrophobicContact CD1-CG1 4.24Å; E296-V300 WeakPolarHBondContact O-CG2 3.21Å; E296-V300 PolarHBondContact O-N 3.39Å; E296-V300 VanDerWaalsContact O-N 3.11Å; I297-V300 PolarHBondContact O-N 2.77Å; V300-R303 PolarHBondContact O-N 2.77Å; V300-N304 PolarHBondContact O-N 2.81Å; V300-N304 VanDerWaalsContact O-N 3.16Å; V300-N304 PolarHBondContact O-ND2 2.92Å; V300-V572 HydrophobicContact CB-CG2 4.36Å; V300-V572 HydrophobicContact CG1-CG2 3.87Å; V300-V572 HydrophobicContact CG2-CG2 4.15Å |
| 301 | A | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L290 L291 I297 Q298 Y299 R303 N304 I305 | L290-A301 HydrophobicContact CB-CB 3.7Å; L290-A301 HydrophobicContact CD1-CB 4.22Å; L291-A301 HydrophobicContact CD2-CB 4.22Å; I297-A301 WeakPolarHBondContact O-CB 3.14Å; I297-A301 PolarHBondContact O-N 3.41Å; Q298-A301 CarbonylContact O-C 3.12Å; Q298-A301 PolarHBondContact O-N 3.26Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.19Å; A301-R303 PolarHBondContact O-N 2.91Å; A301-N304 PolarHBondContact O-N 3.08Å; A301-I305 WeakPolarHBondContact O-CB 3.45Å; A301-I305 WeakPolarHBondContact O-CD1 3.46Å; A301-I305 VanDerWaalsContact O-CG1 3.23Å; A301-I305 WeakPolarHBondContact O-CG1 3.47Å; A301-I305 PolarHBondContact O-N 3.49Å |
| 302 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.3 | -71 | 163.6 | 0 | 0 | 0 | 111.2 | L291 Q298 Y299 N304 I305 N306 F323 V333 E336 K337 I340 | L291-L302 HydrophobicContact CD1-CD2 4.2Å; L291-L302 HydrophobicContact CD2-CD1 4.43Å; L291-L302 HydrophobicContact CD2-CD2 3.47Å; L291-L302 VanDerWaalsContact CD2-CD2 3.47Å; L291-L302 HydrophobicContact CD2-CG 3.56Å; L291-L302 HydrophobicContact CG-CD2 4.5Å; Q298-L302 WeakPolarHBondContact O-CB 3.05Å; Q298-L302 WeakPolarHBondContact O-CD1 3.29Å; Q298-L302 WeakPolarHBondContact O-CG 3.47Å; Q298-L302 PolarHBondContact O-N 2.99Å; Y299-L302 PolarHBondContact O-N 3.33Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.89Å; L302-I305 PolarHBondContact O-N 3.5Å; L302-N306 WeakPolarHBondContact O-CB 3.46Å; L302-N306 PolarHBondContact O-N 3.47Å; L302-F323 HydrophobicContact CD2-CD1 4.04Å; L302-F323 HydrophobicContact CD2-CE1 4.09Å; L302-V333 HydrophobicContact CD1-CG1 3.84Å; L302-E336 HydrophobicContact CB-CB 3.95Å; L302-E336 HydrophobicContact CD1-CB 4.11Å; L302-K337 HydrophobicContact CD1-CG 3.91Å; L302-K337 HydrophobicContact CD2-CG 3.94Å; L302-I340 HydrophobicContact CB-CD1 3.97Å; L302-I340 HydrophobicContact CD2-CD1 3.53Å; L302-I340 HydrophobicContact CG-CD1 4.36Å; L302-I340 WeakPolarHBondContact O-CD1 3.36Å |
| 303 | R | 96.2 | Very high | 93.7 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 175.8 | -75.4 | -68.9 | -158.3 | 140.5 | 2 | 112.6 | Y299 V300 A301 E336 V572 H574 | Y299-R303 HydrophobicContact CE1-CG 4.23Å; Y299-R303 HydrophobicContact CE2-CG 4.22Å; Y299-R303 WeakPolarHBondContact O-CB 3.42Å; Y299-R303 WeakPolarHBondContact O-CG 3.37Å; Y299-R303 PolarHBondContact O-N 3.01Å; Y299-R303 PolarHBondContact OH-NE 2.91Å; Y299-R303 VanDerWaalsContact OH-NE 3.13Å; Y299-R303 PolarHBondContact OH-NH2 3.5Å; V300-R303 PolarHBondContact O-N 2.77Å; A301-R303 PolarHBondContact O-N 2.91Å; R303-E336 IonicContact CZ-OE1 3.37Å; R303-E336 IonicContact NE-OE1 2.63Å; R303-E336 PolarHBondContact NE-OE1 3.14Å; R303-E336 IonicContact NE-OE2 3.12Å; R303-E336 IonicContact NH2-OE1 3.55Å; R303-V572 VanDerWaalsContact CD-O 3.3Å; R303-V572 WeakPolarHBondContact CD-O 3.27Å; R303-V572 HydrophobicContact CG-CG1 4.31Å; R303-V572 PolarHBondContact NE-O 3.39Å; R303-V572 PolarHBondContact NH1-O 2.89Å; R303-H574 PolarHBondContact NH1-ND1 3.37Å; R303-H574 PolarHBondContact O-NE2 3.45Å |
| 304 | N | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.8 | -40.7 | 176.2 | -75 | -85.5 | 0 | 0 | 0 | 112 | L256 V300 A301 L302 N306 L307 I308 I566 G567 S571 | L256-N304 HydrophobicContact CD2-CB 4.14Å; V300-N304 PolarHBondContact O-N 2.81Å; V300-N304 VanDerWaalsContact O-N 3.16Å; V300-N304 PolarHBondContact O-ND2 2.92Å; A301-N304 PolarHBondContact O-N 3.08Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 2.89Å; N304-N306 PolarHBondContact O-N 3.19Å; N304-L307 WeakPolarHBondContact O-CB 3.5Å; N304-L307 PolarHBondContact O-N 3.37Å; N304-I308 VanDerWaalsContact O-CG1 3.32Å; N304-I308 WeakPolarHBondContact O-CG1 3.41Å; N304-I308 PolarHBondContact O-N 2.98Å; N304-I566 WeakPolarHBondContact OD1-CA 3.29Å; N304-G567 PolarHBondContact OD1-N 2.87Å; N304-S571 VanDerWaalsContact OD1-CB 3.28Å; N304-S571 WeakPolarHBondContact OD1-CB 3.17Å; N304-S571 PolarHBondContact OD1-OG 3.15Å |
| 305 | I | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.9 | -41.3 | 174 | -73.8 | 161.3 | 0 | 0 | 0 | 110.5 | L287 L291 A301 L302 L307 I308 V309 L316 F323 I340 | L287-I305 HydrophobicContact CB-CD1 4.36Å; L287-I305 HydrophobicContact CB-CG1 4.27Å; L287-I305 HydrophobicContact CD2-CG1 3.78Å; L287-I305 HydrophobicContact CG-CG1 4.47Å; L291-I305 HydrophobicContact CD1-CD1 4.16Å; L291-I305 HydrophobicContact CD2-CD1 3.83Å; L291-I305 HydrophobicContact CG-CD1 4.1Å; A301-I305 WeakPolarHBondContact O-CB 3.45Å; A301-I305 WeakPolarHBondContact O-CD1 3.46Å; A301-I305 VanDerWaalsContact O-CG1 3.23Å; A301-I305 WeakPolarHBondContact O-CG1 3.47Å; A301-I305 PolarHBondContact O-N 3.49Å; L302-I305 PolarHBondContact O-N 3.5Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.44Å; I305-I308 PolarHBondContact O-N 3.13Å; I305-I308 VanDerWaalsContact O-N 3.14Å; I305-V309 HydrophobicContact CG2-CG2 3.91Å; I305-V309 WeakPolarHBondContact O-CB 3.49Å; I305-V309 VanDerWaalsContact O-CG2 3.31Å; I305-V309 WeakPolarHBondContact O-CG2 3.36Å; I305-V309 PolarHBondContact O-N 3.43Å; I305-L316 HydrophobicContact CG2-CD1 3.59Å; I305-F323 HydrophobicContact CD1-CE1 4.48Å; I305-F323 HydrophobicContact CG2-CE1 4.11Å; I305-F323 HydrophobicContact CG2-CZ 4.19Å; I305-I340 HydrophobicContact CB-CD1 4.27Å; I305-I340 HydrophobicContact CG2-CD1 3.96Å; I305-I340 HydrophobicContact CG2-CG2 4.36Å |
| 306 | N | 93.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 178.4 | -169.5 | -21.8 | 0 | 0 | 0 | 111.5 | L302 N304 Q310 I340 R343 | L302-N306 WeakPolarHBondContact O-CB 3.46Å; L302-N306 PolarHBondContact O-N 3.47Å; N304-N306 PolarHBondContact O-N 3.19Å; N306-Q310 WeakPolarHBondContact O-CG 3.09Å; N306-Q310 PolarHBondContact O-N 2.92Å; N306-Q310 VanDerWaalsContact O-N 3.13Å; N306-Q310 PolarHBondContact OD1-NE2 3.3Å; N306-I340 HydrophobicContact CB-CD1 4.43Å; N306-I340 HydrophobicContact CB-CG1 4.14Å; N306-R343 WeakPolarHBondContact OD1-CD 3.44Å; N306-R343 PolarHBondContact OD1-NE 2.89Å |
| 307 | L | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 174 | -61.5 | 174 | 0 | 0 | 0 | 111.9 | N304 I305 V309 Q310 K311 L554 L559 L562 I563 | N304-L307 WeakPolarHBondContact O-CB 3.5Å; N304-L307 PolarHBondContact O-N 3.37Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.44Å; L307-V309 VanDerWaalsContact C-N 3.34Å; L307-V309 PolarHBondContact O-N 3.43Å; L307-Q310 PolarHBondContact O-N 3.35Å; L307-K311 PolarHBondContact O-N 3.34Å; L307-K311 VanDerWaalsContact O-N 3.07Å; L307-L554 HydrophobicContact CD2-CD1 3.44Å; L307-L554 VanDerWaalsContact CD2-CD1 3.44Å; L307-L559 HydrophobicContact CB-CD1 4.21Å; L307-L559 HydrophobicContact CD2-CD1 3.94Å; L307-L562 HydrophobicContact CD1-CB 3.94Å; L307-L562 HydrophobicContact CD2-CB 4.26Å; L307-L562 HydrophobicContact CD2-CD1 3.99Å; L307-I563 HydrophobicContact CB-CD1 3.98Å |
| 308 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | -178.3 | -65.9 | 163 | 0 | 0 | 0 | 110.9 | I259 M263 L287 N304 I305 Q310 K311 R312 I315 I563 I566 | I259-I308 HydrophobicContact CG2-CD1 3.7Å; M263-I308 HydrophobicContact CE-CB 4.5Å; M263-I308 HydrophobicContact CE-CG1 4.45Å; M263-I308 HydrophobicContact CE-CG2 4.04Å; M263-I308 HydrophobicContact SD-CG2 4.14Å; L287-I308 HydrophobicContact CD1-CD1 4.46Å; L287-I308 HydrophobicContact CD1-CG2 4.31Å; L287-I308 HydrophobicContact CD2-CD1 3.85Å; N304-I308 VanDerWaalsContact O-CG1 3.32Å; N304-I308 WeakPolarHBondContact O-CG1 3.41Å; N304-I308 PolarHBondContact O-N 2.98Å; I305-I308 PolarHBondContact O-N 3.13Å; I305-I308 VanDerWaalsContact O-N 3.14Å; I308-Q310 VanDerWaalsContact C-N 3.35Å; I308-K311 PolarHBondContact O-N 2.95Å; I308-R312 PolarHBondContact O-N 3.45Å; I308-I315 HydrophobicContact CG2-CD1 3.66Å; I308-I315 HydrophobicContact CG2-CG2 4.23Å; I308-I563 HydrophobicContact CG1-CD1 4.46Å; I308-I566 HydrophobicContact CD1-CD1 4.21Å; I308-I566 HydrophobicContact CG1-CD1 3.9Å |
| 309 | V | 92.6 | Very high | 92 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | I305 L307 K311 R312 P313 I315 L316 R343 L344 | I305-V309 HydrophobicContact CG2-CG2 3.91Å; I305-V309 WeakPolarHBondContact O-CB 3.49Å; I305-V309 VanDerWaalsContact O-CG2 3.31Å; I305-V309 WeakPolarHBondContact O-CG2 3.36Å; I305-V309 PolarHBondContact O-N 3.43Å; L307-V309 VanDerWaalsContact C-N 3.34Å; L307-V309 PolarHBondContact O-N 3.43Å; V309-K311 VanDerWaalsContact C-N 3.34Å; V309-R312 CarbonylContact O-C 3.57Å; V309-R312 VanDerWaalsContact O-C 3.29Å; V309-R312 PolarHBondContact O-N 3.14Å; V309-P313 VanDerWaalsContact O-CA 3.23Å; V309-P313 WeakPolarHBondContact O-CA 3.27Å; V309-P313 VanDerWaalsContact O-N 3.15Å; V309-I315 HydrophobicContact CG2-CG2 4.12Å; V309-L316 HydrophobicContact CG2-CD1 3.82Å; V309-R343 HydrophobicContact CG1-CB 4.3Å; V309-L344 HydrophobicContact CG1-CD2 3.61Å; V309-L344 HydrophobicContact CG1-CG 4.26Å; V309-L344 HydrophobicContact CG2-CD2 4.15Å |
| 310 | Q | 90.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.3 | -75.4 | -178 | 66.6 | 0 | 0 | 111.9 | N306 L307 I308 L553 L559 | N306-Q310 WeakPolarHBondContact O-CG 3.09Å; N306-Q310 PolarHBondContact O-N 2.92Å; N306-Q310 VanDerWaalsContact O-N 3.13Å; N306-Q310 PolarHBondContact OD1-NE2 3.3Å; L307-Q310 PolarHBondContact O-N 3.35Å; I308-Q310 VanDerWaalsContact C-N 3.35Å; Q310-L553 HydrophobicContact CG-CD2 4.38Å; Q310-L559 HydrophobicContact CB-CD1 4.17Å; Q310-L559 HydrophobicContact CB-CD2 3.89Å |
| 311 | K | 90.2 | Very high | 91.3 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.2 | -34.7 | 177.8 | -171.9 | 69.9 | 176.2 | -161 | 0 | 112.8 | M263 E267 L307 I308 V309 L559 D560 I563 | M263-K311 HydrophobicContact CE-CB 4.09Å; M263-K311 HydrophobicContact CE-CG 4Å; E267-K311 WeakPolarHBondContact OE1-CE 3.28Å; E267-K311 IonicContact OE1-NZ 3.42Å; E267-K311 PolarHBondContact OE1-NZ 2.85Å; L307-K311 PolarHBondContact O-N 3.34Å; L307-K311 VanDerWaalsContact O-N 3.07Å; I308-K311 PolarHBondContact O-N 2.95Å; V309-K311 VanDerWaalsContact C-N 3.34Å; K311-L559 HydrophobicContact CB-CD2 4.19Å; K311-L559 HydrophobicContact CD-CD2 4.38Å; K311-D560 IonicContact NZ-OD1 2.74Å; K311-D560 PolarHBondContact NZ-OD1 3.3Å; K311-D560 IonicContact NZ-OD2 3.01Å; K311-I563 HydrophobicContact CB-CD1 4.19Å; K311-I563 HydrophobicContact CB-CG1 4.36Å; K311-I563 HydrophobicContact CG-CG1 4.48Å |
| 312 | R | 89.7 | Confident | 91.1 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 27% | 0.268 | 22% | 0.217 | S | C | . | . | trans | -135.9 | 82.5 | -176.7 | -63.8 | -66.7 | -176.3 | 170.8 | 0.5 | 110.8 | M263 L266 I308 V309 D314 I315 | M263-R312 HydrophobicContact CE-CG 4.01Å; M263-R312 HydrophobicContact SD-CG 4.44Å; L266-R312 PolarHBondContact O-NH2 3Å; I308-R312 PolarHBondContact O-N 3.45Å; V309-R312 CarbonylContact O-C 3.57Å; V309-R312 VanDerWaalsContact O-C 3.29Å; V309-R312 PolarHBondContact O-N 3.14Å; R312-D314 VanDerWaalsContact C-N 3.29Å; R312-D314 PolarHBondContact O-N 2.73Å; R312-I315 HydrophobicContact CB-CB 4.35Å; R312-I315 WeakPolarHBondContact O-CB 3.32Å; R312-I315 WeakPolarHBondContact O-CG2 3.29Å; R312-I315 PolarHBondContact O-N 2.95Å | ||
| 313 | P | 86 | Confident | 90.9 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 54% | 0.539 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.6 | -173.1 | -27.3 | 35.9 | 0 | 0 | 0 | 115.4 | V309 I315 | V309-P313 VanDerWaalsContact O-CA 3.23Å; V309-P313 WeakPolarHBondContact O-CA 3.27Å; V309-P313 VanDerWaalsContact O-N 3.15Å; P313-I315 VanDerWaalsContact C-N 3.34Å; P313-I315 PolarHBondContact O-N 3.49Å |
| 314 | D | 86.5 | Confident | 90.9 | Very high | 109 Ų | 109 | 45 Ų | 45 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.8 | -176.6 | -69.3 | -61.2 | 0 | 0 | 0 | 114.2 | R312 L316 K317 | R312-D314 VanDerWaalsContact C-N 3.29Å; R312-D314 PolarHBondContact O-N 2.73Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 2.83Å; D314-K317 PolarHBondContact O-N 3.28Å; D314-K317 WeakPolarHBondContact OD1-CD 3.4Å; D314-K317 IonicContact OD1-NZ 2.88Å; D314-K317 PolarHBondContact OD1-NZ 3.26Å |
| 315 | I | 90.8 | Very high | 90.7 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -36.7 | -172.3 | -165.9 | 175 | 0 | 0 | 0 | 113.3 | M283 A284 L287 I308 V309 R312 P313 | M283-I315 HydrophobicContact CB-CD1 4Å; M283-I315 HydrophobicContact CE-CD1 3.92Å; A284-I315 VanDerWaalsContact CB-O 3.25Å; A284-I315 WeakPolarHBondContact CB-O 3.3Å; L287-I315 HydrophobicContact CD1-CD1 3.81Å; I308-I315 HydrophobicContact CG2-CD1 3.66Å; I308-I315 HydrophobicContact CG2-CG2 4.23Å; V309-I315 HydrophobicContact CG2-CG2 4.12Å; R312-I315 HydrophobicContact CB-CB 4.35Å; R312-I315 WeakPolarHBondContact O-CB 3.32Å; R312-I315 WeakPolarHBondContact O-CG2 3.29Å; R312-I315 PolarHBondContact O-N 2.95Å; P313-I315 VanDerWaalsContact C-N 3.34Å; P313-I315 PolarHBondContact O-N 3.49Å |
| 316 | L | 91.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 21.5 | -175.7 | -73.2 | 162.1 | 0 | 0 | 0 | 112.9 | A284 L287 V288 I305 V309 D314 H318 E319 F323 L344 | A284-L316 HydrophobicContact CB-CD2 4.09Å; L287-L316 HydrophobicContact CB-CD2 4.46Å; L287-L316 HydrophobicContact CD1-CD1 4.21Å; V288-L316 HydrophobicContact CG2-CD2 3.98Å; I305-L316 HydrophobicContact CG2-CD1 3.59Å; V309-L316 HydrophobicContact CG2-CD1 3.82Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 2.83Å; L316-H318 PolarHBondContact O-N 3.24Å; L316-H318 VanDerWaalsContact O-N 3.13Å; L316-E319 HydrophobicContact CD2-CB 4.04Å; L316-E319 HydrophobicContact CD2-CG 4.12Å; L316-E319 PolarHBondContact O-N 3Å; L316-F323 HydrophobicContact CB-CE2 4.42Å; L316-F323 HydrophobicContact CD1-CE2 4.42Å; L316-F323 HydrophobicContact CD1-CZ 3.85Å; L316-L344 HydrophobicContact CB-CD1 4.02Å; L316-L344 HydrophobicContact CB-CD2 4.15Å |
| 317 | K | 83.6 | Confident | 90.2 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.6 | -174.5 | -171.4 | 179 | -162.2 | 154.8 | 0 | 114.3 | D314 | D314-K317 PolarHBondContact O-N 3.28Å; D314-K317 WeakPolarHBondContact OD1-CD 3.4Å; D314-K317 IonicContact OD1-NZ 2.88Å; D314-K317 PolarHBondContact OD1-NZ 3.26Å |
| 318 | H | 85.7 | Confident | 89.9 | Confident | 171 Ų | 171 | 65.5 Ų | 65.5 | 79% | 0.792 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7.5 | -178.1 | -61.6 | -63 | 0 | 0 | 0 | 114 | L316 | L316-H318 PolarHBondContact O-N 3.24Å; L316-H318 VanDerWaalsContact O-N 3.13Å |
| 319 | E | 87.4 | Confident | 89.8 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | trans | -103.5 | 23.5 | -170.6 | -58.7 | -59.2 | 156 | 0 | 0 | 112.9 | V288 L316 K321 V322 | V288-E319 HydrophobicContact CG2-CB 3.95Å; V288-E319 HydrophobicContact CG2-CG 3.92Å; L316-E319 HydrophobicContact CD2-CB 4.04Å; L316-E319 HydrophobicContact CD2-CG 4.12Å; L316-E319 PolarHBondContact O-N 3Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.09Å; E319-K321 VanDerWaalsContact O-N 3.16Å; E319-V322 HydrophobicContact CB-CG2 4.28Å; E319-V322 WeakPolarHBondContact O-CB 3.46Å; E319-V322 WeakPolarHBondContact O-CG2 3.21Å; E319-V322 PolarHBondContact O-N 2.86Å; E319-V322 VanDerWaalsContact O-N 3.1Å | ||
| 320 | M | 89.4 | Confident | 89.9 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -52.5 | -41.4 | -174.5 | 178.6 | 59.1 | 77.2 | 0 | 0 | 113.4 | V322 F323 F324 M341 L344 N349 V353 | M320-V322 PolarHBondContact O-N 3.36Å; M320-V322 VanDerWaalsContact O-N 3.13Å; M320-F323 PolarHBondContact O-N 3.42Å; M320-F323 VanDerWaalsContact O-N 3.09Å; M320-F324 HydrophobicContact CG-CE1 3.79Å; M320-F324 HydrophobicContact CG-CZ 4.18Å; M320-F324 HydrophobicContact SD-CE1 4.32Å; M320-M341 HydrophobicContact SD-CB 4.34Å; M320-M341 HydrophobicContact SD-CG 4.12Å; M320-L344 HydrophobicContact CE-CB 3.42Å; M320-L344 VanDerWaalsContact CE-CB 3.42Å; M320-L344 WeakPolarHBondContact CE-O 3.37Å; M320-L344 HydrophobicContact SD-CB 4.41Å; M320-N349 VanDerWaalsContact CE-ND2 3.29Å; M320-N349 WeakPolarHBondContact CE-ND2 3.35Å; M320-V353 HydrophobicContact CE-CG2 3.78Å; M320-V353 HydrophobicContact CG-CG2 4.15Å; M320-V353 HydrophobicContact SD-CG2 3.9Å |
| 321 | K | 90.4 | Very high | 90 | Very high | 148 Ų | 148 | 69.5 Ų | 69.5 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -61.1 | -24.6 | -176.6 | -66 | -175.9 | 177.4 | -177.5 | 0 | 113.8 | E319 F323 F324 | E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 3.09Å; E319-K321 VanDerWaalsContact O-N 3.16Å; K321-F323 PolarHBondContact O-N 3.11Å; K321-F324 HydrophobicContact CB-CD2 4.34Å; K321-F324 HydrophobicContact CB-CE2 4.22Å; K321-F324 HydrophobicContact CG-CD2 4.49Å; K321-F324 HydrophobicContact CG-CE2 3.91Å; K321-F324 HydrophobicContact CG-CZ 4.28Å; K321-F324 WeakPolarHBondContact O-CB 3.46Å; K321-F324 PolarHBondContact O-N 2.8Å |
| 322 | V | 91.1 | Very high | 90.2 | Very high | 42 Ų | 42 | 70.8 Ų | 70.8 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -68.3 | -28.3 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | V288 L291 E319 M320 F324 | V288-V322 HydrophobicContact CB-CG1 4.4Å; V288-V322 HydrophobicContact CG1-CB 4.43Å; V288-V322 HydrophobicContact CG1-CG1 3.8Å; V288-V322 HydrophobicContact CG1-CG2 3.78Å; V288-V322 HydrophobicContact CG2-CG1 4.32Å; V288-V322 HydrophobicContact CG2-CG2 4.1Å; L291-V322 HydrophobicContact CB-CG1 4.31Å; L291-V322 HydrophobicContact CD1-CG1 3.66Å; E319-V322 HydrophobicContact CB-CG2 4.28Å; E319-V322 WeakPolarHBondContact O-CB 3.46Å; E319-V322 WeakPolarHBondContact O-CG2 3.21Å; E319-V322 PolarHBondContact O-N 2.86Å; E319-V322 VanDerWaalsContact O-N 3.1Å; M320-V322 PolarHBondContact O-N 3.36Å; M320-V322 VanDerWaalsContact O-N 3.13Å; V322-F324 VanDerWaalsContact C-N 3.29Å; V322-F324 PolarHBondContact O-N 2.79Å |
| 323 | F | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -85.3 | -0.5 | 179.5 | -58.1 | -77.6 | 0 | 0 | 0 | 113.2 | L291 L302 I305 L316 M320 K321 V325 K337 I340 M341 L344 | L291-F323 HydrophobicContact CD1-CD1 4.01Å; L291-F323 HydrophobicContact CD1-CE1 3.53Å; L291-F323 HydrophobicContact CD1-CZ 4.05Å; L302-F323 HydrophobicContact CD2-CD1 4.04Å; L302-F323 HydrophobicContact CD2-CE1 4.09Å; I305-F323 HydrophobicContact CD1-CE1 4.48Å; I305-F323 HydrophobicContact CG2-CE1 4.11Å; I305-F323 HydrophobicContact CG2-CZ 4.19Å; L316-F323 HydrophobicContact CB-CE2 4.42Å; L316-F323 HydrophobicContact CD1-CE2 4.42Å; L316-F323 HydrophobicContact CD1-CZ 3.85Å; M320-F323 PolarHBondContact O-N 3.42Å; M320-F323 VanDerWaalsContact O-N 3.09Å; K321-F323 PolarHBondContact O-N 3.11Å; F323-V325 PolarHBondContact O-N 3.46Å; F323-K337 WeakPolarHBondContact O-CB 3.49Å; F323-I340 HydrophobicContact CD1-CB 4.14Å; F323-I340 HydrophobicContact CD1-CD1 4.34Å; F323-I340 HydrophobicContact CD1-CG2 3.64Å; F323-I340 HydrophobicContact CD2-CG2 4.34Å; F323-I340 HydrophobicContact CE1-CB 4.43Å; F323-I340 HydrophobicContact CE1-CD1 4.18Å; F323-I340 HydrophobicContact CE1-CG2 3.63Å; F323-I340 HydrophobicContact CE2-CG2 4.34Å; F323-I340 HydrophobicContact CG-CG2 4.02Å; F323-I340 HydrophobicContact CZ-CG2 4.01Å; F323-M341 HydrophobicContact CB-CG 3.61Å; F323-M341 HydrophobicContact CB-SD 4.46Å; F323-L344 HydrophobicContact CD2-CD1 3.72Å; F323-L344 HydrophobicContact CE2-CD1 3.49Å; F323-L344 VanDerWaalsContact CE2-CD1 3.49Å; F323-L344 HydrophobicContact CZ-CD1 4.2Å |
| 324 | F | 94.7 | Very high | 91 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -66.2 | 136.6 | 175.3 | -63.8 | -8.9 | 0 | 0 | 0 | 110.3 | M320 K321 V322 K337 M341 E356 Y360 | M320-F324 HydrophobicContact CG-CE1 3.79Å; M320-F324 HydrophobicContact CG-CZ 4.18Å; M320-F324 HydrophobicContact SD-CE1 4.32Å; K321-F324 HydrophobicContact CB-CD2 4.34Å; K321-F324 HydrophobicContact CB-CE2 4.22Å; K321-F324 HydrophobicContact CG-CD2 4.49Å; K321-F324 HydrophobicContact CG-CE2 3.91Å; K321-F324 HydrophobicContact CG-CZ 4.28Å; K321-F324 WeakPolarHBondContact O-CB 3.46Å; K321-F324 PolarHBondContact O-N 2.8Å; V322-F324 VanDerWaalsContact C-N 3.29Å; V322-F324 PolarHBondContact O-N 2.79Å; F324-K337 PolarHBondContact O-NZ 2.65Å; F324-M341 HydrophobicContact CD1-CE 3.65Å; F324-M341 HydrophobicContact CD1-SD 3.99Å; F324-M341 HydrophobicContact CE1-CE 3.78Å; F324-E356 HydrophobicContact CD1-CG 4.1Å; F324-E356 HydrophobicContact CD2-CG 3.87Å; F324-E356 HydrophobicContact CE1-CG 3.89Å; F324-E356 HydrophobicContact CE2-CG 3.64Å; F324-E356 HydrophobicContact CG-CG 4.11Å; F324-E356 HydrophobicContact CZ-CG 3.66Å; F324-Y360 WeakPolarHBondContact CA-OH 3.33Å |
| 325 | V | 92.9 | Very high | 91.3 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 132.2 | -176 | 172 | 0 | 0 | 0 | 0 | 109.5 | F323 K334 K337 Y360 F368 | F323-V325 PolarHBondContact O-N 3.46Å; V325-K334 HydrophobicContact CG1-CB 4.03Å; V325-K334 HydrophobicContact CG1-CD 3.54Å; V325-K334 HydrophobicContact CG1-CG 3.49Å; V325-K334 VanDerWaalsContact CG1-CG 3.49Å; V325-K334 HydrophobicContact CG2-CB 4.25Å; V325-K337 HydrophobicContact CG2-CB 4.06Å; V325-K337 HydrophobicContact CG2-CD 4.24Å; V325-Y360 HydrophobicContact CB-CE1 4.14Å; V325-Y360 HydrophobicContact CB-CE2 4.22Å; V325-Y360 HydrophobicContact CG2-CE2 4.12Å; V325-Y360 PolarHBondContact N-OH 2.77Å; V325-F368 HydrophobicContact CB-CZ 4.28Å; V325-F368 HydrophobicContact CG1-CZ 4.12Å; V325-F368 HydrophobicContact CG2-CE2 4.34Å; V325-F368 HydrophobicContact CG2-CZ 3.94Å |
| 326 | K | 91.4 | Very high | 91.5 | Very high | 114 Ų | 114 | 61 Ų | 61 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 155.1 | 174.3 | -57.9 | 175.6 | -177.6 | 172.1 | 0 | 109.8 | N328 D329 | K326-N328 WeakPolarHBondContact CB-OD1 3.44Å; K326-N328 PolarHBondContact O-N 2.86Å; K326-D329 PolarHBondContact N-OD2 2.85Å; K326-D329 WeakPolarHBondContact O-CB 3.15Å; K326-D329 PolarHBondContact O-N 3.26Å; K326-D329 VanDerWaalsContact O-N 3.14Å |
| 327 | Y | 86 | Confident | 91.7 | Very high | 203 Ų | 203 | 61.1 Ų | 61.1 | 80% | 0.796 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.8 | 180 | 75.8 | -87.7 | 0 | 0 | 0 | 113.2 | ||
| 328 | N | 87.9 | Confident | 92.2 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.3 | -178 | 67.4 | -36.4 | 0 | 0 | 0 | 114 | K326 | K326-N328 WeakPolarHBondContact CB-OD1 3.44Å; K326-N328 PolarHBondContact O-N 2.86Å |
| 329 | D | 93.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -69.9 | 134.1 | 175.7 | -71.2 | -23.1 | 0 | 0 | 0 | 109.5 | K326 V333 K334 K337 | K326-D329 PolarHBondContact N-OD2 2.85Å; K326-D329 WeakPolarHBondContact O-CB 3.15Å; K326-D329 PolarHBondContact O-N 3.26Å; K326-D329 VanDerWaalsContact O-N 3.14Å; D329-V333 HydrophobicContact CB-CG1 4.21Å; D329-K334 HydrophobicContact CB-CG 3.88Å; D329-K334 WeakPolarHBondContact O-CE 3.45Å; D329-K337 IonicContact OD1-NZ 2.73Å; D329-K337 IonicContact OD2-NZ 3.75Å; D329-K337 PolarHBondContact OD2-NZ 2.95Å |
| 330 | P | 94.5 | Very high | 92.8 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | trans | -70.2 | 155.4 | 174.3 | 29.7 | -34.1 | 0 | 0 | 0 | 111 | P295 Y332 V333 K334 | P295-P330 HydrophobicContact CB-CG 3.66Å; P295-P330 HydrophobicContact CG-CG 4.36Å; P330-Y332 VanDerWaalsContact C-N 3.28Å; P330-Y332 HydrophobicContact CB-CD1 3.94Å; P330-Y332 HydrophobicContact CB-CE1 3.46Å; P330-Y332 VanDerWaalsContact CB-CE1 3.46Å; P330-Y332 HydrophobicContact CG-CD1 4.24Å; P330-Y332 HydrophobicContact CG-CE1 3.59Å; P330-Y332 HydrophobicContact CG-CE2 3.98Å; P330-Y332 VanDerWaalsContact CG-CZ 3.44Å; P330-Y332 PolarHBondContact O-N 3.2Å; P330-Y332 VanDerWaalsContact O-N 3.14Å; P330-V333 HydrophobicContact CG-CB 4.11Å; P330-V333 HydrophobicContact CG-CG2 3.79Å; P330-V333 WeakPolarHBondContact O-CA 3.28Å; P330-V333 WeakPolarHBondContact O-CB 3.36Å; P330-V333 PolarHBondContact O-N 3.19Å; P330-K334 PolarHBondContact O-N 3.38Å | ||
| 331 | I | 93.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 35% | 0.349 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -51.2 | -43.8 | -172.2 | -170.3 | 60.5 | 0 | 0 | 0 | 113.4 | V333 K334 M335 D365 F368 | I331-V333 VanDerWaalsContact C-N 3.29Å; I331-V333 PolarHBondContact O-N 3.15Å; I331-K334 WeakPolarHBondContact O-CB 3.38Å; I331-K334 PolarHBondContact O-N 3.26Å; I331-K334 VanDerWaalsContact O-N 3.13Å; I331-M335 HydrophobicContact CD1-CE 3.75Å; I331-M335 HydrophobicContact CG1-CE 4.07Å; I331-M335 HydrophobicContact CG1-CG 4.45Å; I331-M335 VanDerWaalsContact O-CG 3.28Å; I331-M335 WeakPolarHBondContact O-CG 3.33Å; I331-M335 PolarHBondContact O-N 2.92Å; I331-D365 HydrophobicContact CD1-CB 4.48Å; I331-F368 HydrophobicContact CD1-CB 3.75Å; I331-F368 HydrophobicContact CD1-CD2 4.48Å; I331-F368 HydrophobicContact CD1-CG 4.38Å |
| 332 | Y | 94.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 33% | 0.329 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -30.4 | -179.5 | 60.4 | -94.3 | 0 | 0 | 0 | 113 | P295 Y299 P330 E336 | P295-Y332 WeakPolarHBondContact CB-OH 3.41Å; Y299-Y332 AromaticContact CD2-CD2 3.62Å; Y299-Y332 HydrophobicContact CD2-CD2 3.62Å; Y299-Y332 HydrophobicContact CD2-CE2 4.45Å; Y299-Y332 HydrophobicContact CD2-CG 4.48Å; Y299-Y332 HydrophobicContact CE2-CD2 4.31Å; Y299-Y332 AromaticContact CG-CD2 3.75Å; Y299-Y332 HydrophobicContact CG-CD2 3.75Å; Y299-Y332 HydrophobicContact CG-CE2 4.17Å; P330-Y332 VanDerWaalsContact C-N 3.28Å; P330-Y332 HydrophobicContact CB-CD1 3.94Å; P330-Y332 HydrophobicContact CB-CE1 3.46Å; P330-Y332 VanDerWaalsContact CB-CE1 3.46Å; P330-Y332 HydrophobicContact CG-CD1 4.24Å; P330-Y332 HydrophobicContact CG-CE1 3.59Å; P330-Y332 HydrophobicContact CG-CE2 3.98Å; P330-Y332 VanDerWaalsContact CG-CZ 3.44Å; P330-Y332 PolarHBondContact O-N 3.2Å; P330-Y332 VanDerWaalsContact O-N 3.14Å; Y332-E336 WeakPolarHBondContact O-CG 3.44Å; Y332-E336 PolarHBondContact O-N 3.44Å |
| 333 | V | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74 | -43.7 | 171.9 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | P295 Q298 L302 D329 P330 I331 M335 E336 K337 | P295-V333 HydrophobicContact CB-CG2 4.36Å; Q298-V333 HydrophobicContact CB-CG2 4.38Å; L302-V333 HydrophobicContact CD1-CG1 3.84Å; D329-V333 HydrophobicContact CB-CG1 4.21Å; P330-V333 HydrophobicContact CG-CB 4.11Å; P330-V333 HydrophobicContact CG-CG2 3.79Å; P330-V333 WeakPolarHBondContact O-CA 3.28Å; P330-V333 WeakPolarHBondContact O-CB 3.36Å; P330-V333 PolarHBondContact O-N 3.19Å; I331-V333 VanDerWaalsContact C-N 3.29Å; I331-V333 PolarHBondContact O-N 3.15Å; V333-M335 VanDerWaalsContact C-N 3.28Å; V333-M335 PolarHBondContact O-N 2.89Å; V333-E336 PolarHBondContact O-N 3.08Å; V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.36Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 WeakPolarHBondContact O-CG 3.43Å; V333-K337 PolarHBondContact O-N 3.38Å |
| 334 | K | 95.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.3 | -45.8 | 177.3 | -59.5 | -164.2 | 168.4 | -175.8 | 0 | 111.1 | V325 D329 P330 I331 K337 L338 E363 F368 | V325-K334 HydrophobicContact CG1-CB 4.03Å; V325-K334 HydrophobicContact CG1-CD 3.54Å; V325-K334 HydrophobicContact CG1-CG 3.49Å; V325-K334 VanDerWaalsContact CG1-CG 3.49Å; V325-K334 HydrophobicContact CG2-CB 4.25Å; D329-K334 HydrophobicContact CB-CG 3.88Å; D329-K334 WeakPolarHBondContact O-CE 3.45Å; P330-K334 PolarHBondContact O-N 3.38Å; I331-K334 WeakPolarHBondContact O-CB 3.38Å; I331-K334 PolarHBondContact O-N 3.26Å; I331-K334 VanDerWaalsContact O-N 3.13Å; K334-K337 PolarHBondContact O-N 3.3Å; K334-L338 WeakPolarHBondContact O-CB 3.3Å; K334-L338 PolarHBondContact O-N 2.87Å; K334-E363 IonicContact NZ-OE1 2.68Å; K334-E363 PolarHBondContact NZ-OE1 3.27Å; K334-E363 IonicContact NZ-OE2 3.36Å; K334-F368 HydrophobicContact CB-CD2 3.79Å; K334-F368 HydrophobicContact CB-CE2 3.56Å; K334-F368 HydrophobicContact CB-CZ 4.17Å; K334-F368 HydrophobicContact CD-CD1 4.39Å; K334-F368 HydrophobicContact CD-CD2 4.4Å; K334-F368 HydrophobicContact CD-CE1 4.34Å; K334-F368 HydrophobicContact CD-CE2 4.39Å; K334-F368 HydrophobicContact CD-CG 4.42Å; K334-F368 HydrophobicContact CD-CZ 4.35Å |
| 335 | M | 93.7 | Very high | 92.5 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 18% | 0.177 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | -179.9 | -67.6 | -56.3 | -171.5 | 0 | 0 | 112.9 | I331 V333 L338 D339 D367 F368 K371 | I331-M335 HydrophobicContact CD1-CE 3.75Å; I331-M335 HydrophobicContact CG1-CE 4.07Å; I331-M335 HydrophobicContact CG1-CG 4.45Å; I331-M335 VanDerWaalsContact O-CG 3.28Å; I331-M335 WeakPolarHBondContact O-CG 3.33Å; I331-M335 PolarHBondContact O-N 2.92Å; V333-M335 VanDerWaalsContact C-N 3.28Å; V333-M335 PolarHBondContact O-N 2.89Å; M335-L338 PolarHBondContact O-N 3.33Å; M335-D339 PolarHBondContact O-N 3.25Å; M335-D339 VanDerWaalsContact O-N 3.15Å; M335-D367 HydrophobicContact CE-CB 4.05Å; M335-F368 HydrophobicContact CE-CB 4.26Å; M335-F368 HydrophobicContact SD-CD2 4.09Å; M335-K371 HydrophobicContact SD-CB 4.23Å; M335-K371 HydrophobicContact SD-CD 3.47Å; M335-K371 WeakPolarHBondContact SD-CD 3.31Å; M335-K371 HydrophobicContact SD-CG 4.43Å |
| 336 | E | 94.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -38.2 | -179.6 | -68.8 | -63.4 | 154.6 | 0 | 0 | 112.2 | Y299 L302 R303 Y332 V333 L338 D339 I340 | Y299-E336 HydrophobicContact CD2-CG 3.76Å; Y299-E336 HydrophobicContact CE2-CG 3.55Å; L302-E336 HydrophobicContact CB-CB 3.95Å; L302-E336 HydrophobicContact CD1-CB 4.11Å; R303-E336 IonicContact CZ-OE1 3.37Å; R303-E336 IonicContact NE-OE1 2.63Å; R303-E336 PolarHBondContact NE-OE1 3.14Å; R303-E336 IonicContact NE-OE2 3.12Å; R303-E336 IonicContact NH2-OE1 3.55Å; Y332-E336 WeakPolarHBondContact O-CG 3.44Å; Y332-E336 PolarHBondContact O-N 3.44Å; V333-E336 PolarHBondContact O-N 3.08Å; E336-L338 VanDerWaalsContact C-N 3.31Å; E336-L338 PolarHBondContact O-N 3.06Å; E336-D339 PolarHBondContact O-N 3.3Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 2.97Å |
| 337 | K | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 172.8 | -83.6 | -176.1 | 177.2 | -176.2 | 0 | 111.2 | L302 F323 F324 V325 D329 V333 K334 D339 I340 M341 | L302-K337 HydrophobicContact CD1-CG 3.91Å; L302-K337 HydrophobicContact CD2-CG 3.94Å; F323-K337 WeakPolarHBondContact O-CB 3.49Å; F324-K337 PolarHBondContact O-NZ 2.65Å; V325-K337 HydrophobicContact CG2-CB 4.06Å; V325-K337 HydrophobicContact CG2-CD 4.24Å; D329-K337 IonicContact OD1-NZ 2.73Å; D329-K337 IonicContact OD2-NZ 3.75Å; D329-K337 PolarHBondContact OD2-NZ 2.95Å; V333-K337 HydrophobicContact CG1-CD 4.1Å; V333-K337 HydrophobicContact CG1-CG 4.36Å; V333-K337 WeakPolarHBondContact O-CB 3.48Å; V333-K337 WeakPolarHBondContact O-CG 3.43Å; V333-K337 PolarHBondContact O-N 3.38Å; K334-K337 PolarHBondContact O-N 3.3Å; K337-D339 VanDerWaalsContact C-N 3.35Å; K337-D339 PolarHBondContact O-N 3.2Å; K337-I340 PolarHBondContact O-N 3.38Å; K337-M341 WeakPolarHBondContact O-CG 3.22Å; K337-M341 PolarHBondContact O-N 3.05Å |
| 338 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 177.7 | -179 | 61.8 | 0 | 0 | 0 | 111.9 | K334 M335 E336 I340 M341 I342 L357 F368 K371 A375 | K334-L338 WeakPolarHBondContact O-CB 3.3Å; K334-L338 PolarHBondContact O-N 2.87Å; M335-L338 PolarHBondContact O-N 3.33Å; E336-L338 VanDerWaalsContact C-N 3.31Å; E336-L338 PolarHBondContact O-N 3.06Å; L338-I340 VanDerWaalsContact C-N 3.34Å; L338-I340 PolarHBondContact O-N 3Å; L338-M341 PolarHBondContact O-N 3.25Å; L338-I342 HydrophobicContact CG-CD1 4.37Å; L338-I342 VanDerWaalsContact O-CG1 3.31Å; L338-I342 WeakPolarHBondContact O-CG1 3.3Å; L338-I342 PolarHBondContact O-N 3.1Å; L338-I342 VanDerWaalsContact O-N 3.11Å; L338-L357 HydrophobicContact CD1-CD2 3.35Å; L338-F368 HydrophobicContact CD2-CE2 4.26Å; L338-K371 HydrophobicContact CD2-CB 3.88Å; L338-K371 HydrophobicContact CD2-CD 4.14Å; L338-K371 HydrophobicContact CD2-CG 3.71Å; L338-A375 HydrophobicContact CD1-CB 3.77Å; L338-A375 HydrophobicContact CD2-CB 4.47Å; L338-A375 HydrophobicContact CG-CB 4.27Å |
| 339 | D | 92.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 29.5 Ų | 29.5 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.9 | -76.3 | -33.6 | 0 | 0 | 0 | 112.3 | M335 E336 K337 R343 K371 R378 | M335-D339 PolarHBondContact O-N 3.25Å; M335-D339 VanDerWaalsContact O-N 3.15Å; E336-D339 PolarHBondContact O-N 3.3Å; K337-D339 VanDerWaalsContact C-N 3.35Å; K337-D339 PolarHBondContact O-N 3.2Å; D339-R343 WeakPolarHBondContact O-CG 3.49Å; D339-R343 PolarHBondContact O-N 3.5Å; D339-K371 VanDerWaalsContact OD1-CE 3.25Å; D339-K371 WeakPolarHBondContact OD1-CE 3.36Å; D339-K371 IonicContact OD1-NZ 2.91Å; D339-K371 PolarHBondContact OD1-NZ 2.8Å; D339-K371 IonicContact OD2-NZ 3.53Å; D339-K371 PolarHBondContact OD2-NZ 2.82Å; D339-R378 IonicContact OD1-NH1 2.76Å; D339-R378 PolarHBondContact OD1-NH1 3.43Å |
| 340 | I | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69 | -40.3 | 175.4 | -65.9 | 163.8 | 0 | 0 | 0 | 111.4 | L302 I305 N306 F323 E336 K337 L338 I342 R343 L344 | L302-I340 HydrophobicContact CB-CD1 3.97Å; L302-I340 HydrophobicContact CD2-CD1 3.53Å; L302-I340 HydrophobicContact CG-CD1 4.36Å; L302-I340 WeakPolarHBondContact O-CD1 3.36Å; I305-I340 HydrophobicContact CB-CD1 4.27Å; I305-I340 HydrophobicContact CG2-CD1 3.96Å; I305-I340 HydrophobicContact CG2-CG2 4.36Å; N306-I340 HydrophobicContact CB-CD1 4.43Å; N306-I340 HydrophobicContact CB-CG1 4.14Å; F323-I340 HydrophobicContact CD1-CB 4.14Å; F323-I340 HydrophobicContact CD1-CD1 4.34Å; F323-I340 HydrophobicContact CD1-CG2 3.64Å; F323-I340 HydrophobicContact CD2-CG2 4.34Å; F323-I340 HydrophobicContact CE1-CB 4.43Å; F323-I340 HydrophobicContact CE1-CD1 4.18Å; F323-I340 HydrophobicContact CE1-CG2 3.63Å; F323-I340 HydrophobicContact CE2-CG2 4.34Å; F323-I340 HydrophobicContact CG-CG2 4.02Å; F323-I340 HydrophobicContact CZ-CG2 4.01Å; E336-I340 WeakPolarHBondContact O-CG1 3.49Å; E336-I340 PolarHBondContact O-N 2.97Å; K337-I340 PolarHBondContact O-N 3.38Å; L338-I340 VanDerWaalsContact C-N 3.34Å; L338-I340 PolarHBondContact O-N 3Å; I340-I342 VanDerWaalsContact C-N 3.3Å; I340-I342 PolarHBondContact O-N 3.49Å; I340-R343 PolarHBondContact O-N 3.35Å; I340-R343 VanDerWaalsContact O-N 3.09Å; I340-L344 HydrophobicContact CG2-CD1 3.74Å; I340-L344 HydrophobicContact CG2-CG 4.14Å; I340-L344 PolarHBondContact O-N 3.23Å |
| 341 | M | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 176.4 | -76 | 175.9 | 62.6 | 0 | 0 | 111.5 | M320 F323 F324 K337 L338 R343 L344 A345 V353 E356 Y360 | M320-M341 HydrophobicContact SD-CB 4.34Å; M320-M341 HydrophobicContact SD-CG 4.12Å; F323-M341 HydrophobicContact CB-CG 3.61Å; F323-M341 HydrophobicContact CB-SD 4.46Å; F324-M341 HydrophobicContact CD1-CE 3.65Å; F324-M341 HydrophobicContact CD1-SD 3.99Å; F324-M341 HydrophobicContact CE1-CE 3.78Å; K337-M341 WeakPolarHBondContact O-CG 3.22Å; K337-M341 PolarHBondContact O-N 3.05Å; L338-M341 PolarHBondContact O-N 3.25Å; M341-R343 VanDerWaalsContact C-N 3.32Å; M341-R343 PolarHBondContact O-N 2.9Å; M341-L344 PolarHBondContact O-N 3.42Å; M341-A345 WeakPolarHBondContact O-CB 3.42Å; M341-A345 PolarHBondContact O-N 3.07Å; M341-V353 HydrophobicContact CE-CG1 4.32Å; M341-E356 HydrophobicContact CE-CB 4.36Å; M341-Y360 HydrophobicContact CE-CE2 4.11Å; M341-Y360 HydrophobicContact SD-CE2 4.17Å |
| 342 | I | 90.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.1 | -61.8 | 161.5 | 0 | 0 | 0 | 110.6 | L338 I340 A345 A375 R378 K382 | L338-I342 HydrophobicContact CG-CD1 4.37Å; L338-I342 VanDerWaalsContact O-CG1 3.31Å; L338-I342 WeakPolarHBondContact O-CG1 3.3Å; L338-I342 PolarHBondContact O-N 3.1Å; L338-I342 VanDerWaalsContact O-N 3.11Å; I340-I342 VanDerWaalsContact C-N 3.3Å; I340-I342 PolarHBondContact O-N 3.49Å; I342-A345 WeakPolarHBondContact O-CB 3.32Å; I342-A345 PolarHBondContact O-N 2.85Å; I342-A375 HydrophobicContact CD1-CB 3.42Å; I342-A375 VanDerWaalsContact CD1-CB 3.42Å; I342-A375 HydrophobicContact CG1-CB 3.75Å; I342-R378 HydrophobicContact CG2-CB 3.89Å; I342-K382 PolarHBondContact O-NZ 3.31Å |
| 343 | R | 89.3 | Confident | 92.3 | Very high | 54 Ų | 54 | 27.4 Ų | 27.4 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -34.1 | 177.8 | -69.4 | -178 | -169.6 | -78.4 | 1.9 | 113.1 | N306 V309 D339 I340 M341 K382 D552 | N306-R343 WeakPolarHBondContact OD1-CD 3.44Å; N306-R343 PolarHBondContact OD1-NE 2.89Å; V309-R343 HydrophobicContact CG1-CB 4.3Å; D339-R343 WeakPolarHBondContact O-CG 3.49Å; D339-R343 PolarHBondContact O-N 3.5Å; I340-R343 PolarHBondContact O-N 3.35Å; I340-R343 VanDerWaalsContact O-N 3.09Å; M341-R343 VanDerWaalsContact C-N 3.32Å; M341-R343 PolarHBondContact O-N 2.9Å; R343-K382 PolarHBondContact O-NZ 3.43Å; R343-D552 PolarHBondContact NH1-O 2.78Å; R343-D552 PolarHBondContact NH2-O 3.37Å |
| 344 | L | 91.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86 | -9.5 | 176.3 | -65.5 | 177.2 | 0 | 0 | 0 | 113.5 | V309 L316 M320 F323 I340 M341 S346 N349 | V309-L344 HydrophobicContact CG1-CD2 3.61Å; V309-L344 HydrophobicContact CG1-CG 4.26Å; V309-L344 HydrophobicContact CG2-CD2 4.15Å; L316-L344 HydrophobicContact CB-CD1 4.02Å; L316-L344 HydrophobicContact CB-CD2 4.15Å; M320-L344 HydrophobicContact CE-CB 3.42Å; M320-L344 VanDerWaalsContact CE-CB 3.42Å; M320-L344 WeakPolarHBondContact CE-O 3.37Å; M320-L344 HydrophobicContact SD-CB 4.41Å; F323-L344 HydrophobicContact CD2-CD1 3.72Å; F323-L344 HydrophobicContact CE2-CD1 3.49Å; F323-L344 VanDerWaalsContact CE2-CD1 3.49Å; F323-L344 HydrophobicContact CZ-CD1 4.2Å; I340-L344 HydrophobicContact CG2-CD1 3.74Å; I340-L344 HydrophobicContact CG2-CG 4.14Å; I340-L344 PolarHBondContact O-N 3.23Å; M341-L344 PolarHBondContact O-N 3.42Å; L344-S346 PolarHBondContact O-N 3.46Å; L344-N349 PolarHBondContact O-ND2 3.18Å |
| 345 | A | 90.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | trans | -61.7 | 130.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | M341 I342 N349 I350 K382 | M341-A345 WeakPolarHBondContact O-CB 3.42Å; M341-A345 PolarHBondContact O-N 3.07Å; I342-A345 WeakPolarHBondContact O-CB 3.32Å; I342-A345 PolarHBondContact O-N 2.85Å; A345-N349 WeakPolarHBondContact CA-OD1 3.46Å; A345-I350 HydrophobicContact CB-CD1 4.44Å; A345-K382 PolarHBondContact O-NZ 3.13Å | ||
| 346 | S | 89.8 | Confident | 92.1 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | trans | -147.4 | 168.7 | -178.3 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | L344 A348 N349 I350 | L344-S346 PolarHBondContact O-N 3.46Å; S346-A348 PolarHBondContact O-N 3.39Å; S346-N349 PolarHBondContact N-OD1 3.1Å; S346-N349 PolarHBondContact O-N 3.3Å; S346-N349 VanDerWaalsContact O-N 3.12Å; S346-N349 PolarHBondContact O-OD1 3.43Å; S346-N349 PolarHBondContact OG-ND2 2.98Å; S346-N349 PolarHBondContact OG-OD1 3.28Å; S346-I350 VanDerWaalsContact O-CB 3.32Å; S346-I350 WeakPolarHBondContact O-CB 3.4Å; S346-I350 PolarHBondContact O-N 3.38Å | ||
| 347 | Q | 89.3 | Confident | 92.1 | Very high | 98 Ų | 98 | 29.9 Ų | 29.9 | 46% | 0.458 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.9 | 179.9 | -171.4 | 63.2 | 2 | 0 | 0 | 113.9 | V383 | Q347-V383 HydrophobicContact CB-CG1 4.28Š|
| 348 | A | 89.2 | Confident | 92 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 80% | 0.802 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -32.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S346 | S346-A348 PolarHBondContact O-N 3.39Š|
| 349 | N | 91.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -6.9 | -172.7 | 63.1 | 22.6 | 0 | 0 | 0 | 113.5 | M320 L344 A345 S346 A351 Q352 V353 | M320-N349 VanDerWaalsContact CE-ND2 3.29Å; M320-N349 WeakPolarHBondContact CE-ND2 3.35Å; L344-N349 PolarHBondContact O-ND2 3.18Å; A345-N349 WeakPolarHBondContact CA-OD1 3.46Å; S346-N349 PolarHBondContact N-OD1 3.1Å; S346-N349 PolarHBondContact O-N 3.3Å; S346-N349 VanDerWaalsContact O-N 3.12Å; S346-N349 PolarHBondContact O-OD1 3.43Å; S346-N349 PolarHBondContact OG-ND2 2.98Å; S346-N349 PolarHBondContact OG-OD1 3.28Å; N349-A351 PolarHBondContact O-N 2.89Å; N349-A351 VanDerWaalsContact O-N 3.12Å; N349-Q352 WeakPolarHBondContact O-CB 3.39Å; N349-Q352 PolarHBondContact O-N 3.14Å; N349-V353 PolarHBondContact O-N 3.33Å; N349-V353 VanDerWaalsContact O-N 3.14Å |
| 350 | I | 91.5 | Very high | 92 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -34.7 | -173.1 | -170.1 | 57.2 | 0 | 0 | 0 | 113.9 | A345 S346 Q352 V353 L354 C379 | A345-I350 HydrophobicContact CB-CD1 4.44Å; S346-I350 VanDerWaalsContact O-CB 3.32Å; S346-I350 WeakPolarHBondContact O-CB 3.4Å; S346-I350 PolarHBondContact O-N 3.38Å; I350-Q352 VanDerWaalsContact C-N 3.29Å; I350-Q352 PolarHBondContact O-N 3.32Å; I350-V353 HydrophobicContact CD1-CB 4.49Å; I350-V353 PolarHBondContact O-N 3.14Å; I350-L354 HydrophobicContact CD1-CD1 4.46Å; I350-L354 HydrophobicContact CD1-CD2 4.46Å; I350-L354 HydrophobicContact CD1-CG 4.06Å; I350-L354 HydrophobicContact CG1-CD1 4.07Å; I350-L354 HydrophobicContact CG1-CG 4.15Å; I350-L354 WeakPolarHBondContact O-CB 3.46Å; I350-L354 WeakPolarHBondContact O-CG 3.38Å; I350-L354 PolarHBondContact O-N 3.42Å; I350-C379 HydrophobicContact CD1-CB 3.78Å |
| 351 | A | 91.6 | Very high | 91.9 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N349 A355 | N349-A351 PolarHBondContact O-N 2.89Å; N349-A351 VanDerWaalsContact O-N 3.12Å; A351-A355 PolarHBondContact O-N 2.96Å |
| 352 | Q | 92.5 | Very high | 91.7 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 45% | 0.453 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.6 | -44.7 | 176.3 | -65.3 | 178.6 | -2.5 | 0 | 0 | 110.4 | N349 I350 L354 A355 E356 | N349-Q352 WeakPolarHBondContact O-CB 3.39Å; N349-Q352 PolarHBondContact O-N 3.14Å; I350-Q352 VanDerWaalsContact C-N 3.29Å; I350-Q352 PolarHBondContact O-N 3.32Å; Q352-L354 VanDerWaalsContact C-N 3.33Å; Q352-L354 PolarHBondContact O-N 3.45Å; Q352-A355 PolarHBondContact O-N 3.28Å; Q352-E356 WeakPolarHBondContact O-CG 3.31Å; Q352-E356 PolarHBondContact O-N 3.28Å; Q352-E356 VanDerWaalsContact O-N 3.08Å |
| 353 | V | 93.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | M320 M341 N349 I350 A355 E356 L357 | M320-V353 HydrophobicContact CE-CG2 3.78Å; M320-V353 HydrophobicContact CG-CG2 4.15Å; M320-V353 HydrophobicContact SD-CG2 3.9Å; M341-V353 HydrophobicContact CE-CG1 4.32Å; N349-V353 PolarHBondContact O-N 3.33Å; N349-V353 VanDerWaalsContact O-N 3.14Å; I350-V353 HydrophobicContact CD1-CB 4.49Å; I350-V353 PolarHBondContact O-N 3.14Å; V353-A355 PolarHBondContact O-N 2.94Å; V353-E356 PolarHBondContact O-N 3.41Å; V353-L357 HydrophobicContact CG1-CD1 3.86Å; V353-L357 HydrophobicContact CG1-CG 4.19Å; V353-L357 WeakPolarHBondContact O-CB 3.35Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.35Å; V353-L357 PolarHBondContact O-N 3.18Å |
| 354 | L | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 178.8 | -70.6 | 177.3 | 0 | 0 | 0 | 113.2 | I350 Q352 L357 K358 I376 R389 C390 | I350-L354 HydrophobicContact CD1-CD1 4.46Å; I350-L354 HydrophobicContact CD1-CD2 4.46Å; I350-L354 HydrophobicContact CD1-CG 4.06Å; I350-L354 HydrophobicContact CG1-CD1 4.07Å; I350-L354 HydrophobicContact CG1-CG 4.15Å; I350-L354 WeakPolarHBondContact O-CB 3.46Å; I350-L354 WeakPolarHBondContact O-CG 3.38Å; I350-L354 PolarHBondContact O-N 3.42Å; Q352-L354 VanDerWaalsContact C-N 3.33Å; Q352-L354 PolarHBondContact O-N 3.45Å; L354-L357 PolarHBondContact O-N 3.13Å; L354-K358 WeakPolarHBondContact O-CB 3.49Å; L354-K358 PolarHBondContact O-N 3.36Å; L354-I376 HydrophobicContact CD2-CG1 4.43Å; L354-I376 HydrophobicContact CD2-CG2 3.97Å; L354-R389 HydrophobicContact CD1-CB 3.81Å; L354-C390 HydrophobicContact CD2-CB 4.48Å |
| 355 | A | 93.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 52 Ų | 52 | 45% | 0.446 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A351 Q352 V353 K358 E359 | A351-A355 PolarHBondContact O-N 2.96Å; Q352-A355 PolarHBondContact O-N 3.28Å; V353-A355 PolarHBondContact O-N 2.94Å; A355-K358 WeakPolarHBondContact O-CB 3.5Å; A355-K358 PolarHBondContact O-N 2.93Å; A355-E359 PolarHBondContact O-N 3.31Å |
| 356 | E | 94.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.1 | -64.2 | -66.5 | 148.9 | 0 | 0 | 112.3 | F324 M341 Q352 V353 K358 E359 Y360 | F324-E356 HydrophobicContact CD1-CG 4.1Å; F324-E356 HydrophobicContact CD2-CG 3.87Å; F324-E356 HydrophobicContact CE1-CG 3.89Å; F324-E356 HydrophobicContact CE2-CG 3.64Å; F324-E356 HydrophobicContact CG-CG 4.11Å; F324-E356 HydrophobicContact CZ-CG 3.66Å; M341-E356 HydrophobicContact CE-CB 4.36Å; Q352-E356 WeakPolarHBondContact O-CG 3.31Å; Q352-E356 PolarHBondContact O-N 3.28Å; Q352-E356 VanDerWaalsContact O-N 3.08Å; V353-E356 PolarHBondContact O-N 3.41Å; E356-K358 PolarHBondContact O-N 3.2Å; E356-E359 WeakPolarHBondContact O-CB 3.23Å; E356-E359 PolarHBondContact O-N 2.91Å; E356-Y360 HydrophobicContact CB-CE1 4.35Å; E356-Y360 HydrophobicContact CB-CE2 4.33Å; E356-Y360 VanDerWaalsContact O-CD1 3.24Å; E356-Y360 WeakPolarHBondContact O-CD1 3.44Å; E356-Y360 VanDerWaalsContact O-CG 3.26Å; E356-Y360 PolarHBondContact O-N 3.43Å; E356-Y360 PolarHBondContact OE2-OH 2.97Å |
| 357 | L | 95.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -32.6 | 177.1 | -70 | 177.2 | 0 | 0 | 0 | 112.4 | L338 V353 L354 Y360 A361 A375 I376 | L338-L357 HydrophobicContact CD1-CD2 3.35Å; V353-L357 HydrophobicContact CG1-CD1 3.86Å; V353-L357 HydrophobicContact CG1-CG 4.19Å; V353-L357 WeakPolarHBondContact O-CB 3.35Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.35Å; V353-L357 PolarHBondContact O-N 3.18Å; L354-L357 PolarHBondContact O-N 3.13Å; L357-Y360 HydrophobicContact CD2-CD2 4.07Å; L357-Y360 PolarHBondContact O-N 3.5Å; L357-A361 PolarHBondContact O-N 3.35Å; L357-A375 HydrophobicContact CD1-CB 4.05Å; L357-A375 HydrophobicContact CD2-CB 3.9Å; L357-I376 HydrophobicContact CB-CD1 4.17Å; L357-I376 HydrophobicContact CB-CG1 3.75Å; L357-I376 HydrophobicContact CD1-CG1 3.76Å; L357-I376 HydrophobicContact CG-CG1 4.37Å |
| 358 | K | 92.9 | Very high | 92 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 34% | 0.335 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 174.1 | -173.6 | 175.8 | -179.2 | 170.9 | 0 | 111.4 | L354 A355 E356 A361 T393 D396 L397 | L354-K358 WeakPolarHBondContact O-CB 3.49Å; L354-K358 PolarHBondContact O-N 3.36Å; A355-K358 WeakPolarHBondContact O-CB 3.5Å; A355-K358 PolarHBondContact O-N 2.93Å; E356-K358 PolarHBondContact O-N 3.2Å; K358-A361 WeakPolarHBondContact O-CB 3.35Å; K358-A361 PolarHBondContact O-N 3.48Å; K358-T393 HydrophobicContact CB-CG2 4.08Å; K358-T393 HydrophobicContact CD-CG2 4.35Å; K358-T393 HydrophobicContact CG-CG2 4.34Å; K358-D396 IonicContact NZ-OD2 3.13Å; K358-D396 PolarHBondContact NZ-OD2 2.81Å; K358-L397 HydrophobicContact CG-CD2 4.21Å |
| 359 | E | 92.5 | Very high | 92.3 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 173.8 | -62.9 | -61 | 148.3 | 0 | 0 | 111.2 | A355 E356 A361 T362 | A355-E359 PolarHBondContact O-N 3.31Å; E356-E359 WeakPolarHBondContact O-CB 3.23Å; E356-E359 PolarHBondContact O-N 2.91Å; E359-A361 PolarHBondContact O-N 3.13Å; E359-T362 WeakPolarHBondContact O-CB 3.5Å; E359-T362 PolarHBondContact O-N 3.36Å; E359-T362 PolarHBondContact O-OG1 3.31Å |
| 360 | Y | 93.7 | Very high | 92.4 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -23.3 | 178.1 | -60.6 | -9 | 0 | 0 | 0 | 113 | F324 V325 M341 E356 L357 T362 E363 F368 | F324-Y360 WeakPolarHBondContact CA-OH 3.33Å; V325-Y360 HydrophobicContact CB-CE1 4.14Å; V325-Y360 HydrophobicContact CB-CE2 4.22Å; V325-Y360 HydrophobicContact CG2-CE2 4.12Å; V325-Y360 PolarHBondContact N-OH 2.77Å; M341-Y360 HydrophobicContact CE-CE2 4.11Å; M341-Y360 HydrophobicContact SD-CE2 4.17Å; E356-Y360 HydrophobicContact CB-CE1 4.35Å; E356-Y360 HydrophobicContact CB-CE2 4.33Å; E356-Y360 VanDerWaalsContact O-CD1 3.24Å; E356-Y360 WeakPolarHBondContact O-CD1 3.44Å; E356-Y360 VanDerWaalsContact O-CG 3.26Å; E356-Y360 PolarHBondContact O-N 3.43Å; E356-Y360 PolarHBondContact OE2-OH 2.97Å; L357-Y360 HydrophobicContact CD2-CD2 4.07Å; L357-Y360 PolarHBondContact O-N 3.5Å; Y360-T362 PolarHBondContact O-N 3.3Å; Y360-E363 WeakPolarHBondContact O-CB 3.44Å; Y360-E363 PolarHBondContact O-N 3.4Å; Y360-F368 HydrophobicContact CD2-CE1 4.32Å; Y360-F368 AromaticContact CD2-CZ 3.88Å; Y360-F368 HydrophobicContact CD2-CZ 3.88Å; Y360-F368 AromaticContact CG-CE1 3.97Å; Y360-F368 HydrophobicContact CG-CE1 3.97Å; Y360-F368 AromaticContact CG-CZ 4Å; Y360-F368 HydrophobicContact CG-CZ 4Å |
| 361 | A | 90.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L357 K358 E359 V369 V373 L397 | L357-A361 PolarHBondContact O-N 3.35Å; K358-A361 WeakPolarHBondContact O-CB 3.35Å; K358-A361 PolarHBondContact O-N 3.48Å; E359-A361 PolarHBondContact O-N 3.13Å; A361-V369 HydrophobicContact CB-CG1 4.49Å; A361-V373 HydrophobicContact CB-CG2 4.36Å; A361-L397 HydrophobicContact CB-CD1 3.92Å; A361-L397 HydrophobicContact CB-CD2 3.51Å; A361-L397 HydrophobicContact CB-CG 4.37Å |
| 362 | T | 89.4 | Confident | 92.7 | Very high | 105 Ų | 105 | 51 Ų | 51 | 64% | 0.644 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.4 | 177 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | E359 Y360 | E359-T362 WeakPolarHBondContact O-CB 3.5Å; E359-T362 PolarHBondContact O-N 3.36Å; E359-T362 PolarHBondContact O-OG1 3.31Å; Y360-T362 PolarHBondContact O-N 3.3Å |
| 363 | E | 90.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -66.1 | 163 | 176.1 | -85.9 | -87.5 | -154.4 | 0 | 0 | 112.7 | K334 Y360 F368 V369 | K334-E363 IonicContact NZ-OE1 2.68Å; K334-E363 PolarHBondContact NZ-OE1 3.27Å; K334-E363 IonicContact NZ-OE2 3.36Å; Y360-E363 WeakPolarHBondContact O-CB 3.44Å; Y360-E363 PolarHBondContact O-N 3.4Å; E363-F368 HydrophobicContact CB-CD1 4.14Å; E363-F368 HydrophobicContact CG-CD1 4.19Å; E363-F368 HydrophobicContact CG-CE1 4.19Å; E363-V369 HydrophobicContact CB-CG2 3.96Å; E363-V369 VanDerWaalsContact O-CG2 3.27Å; E363-V369 WeakPolarHBondContact O-CG2 3.33Å |
| 364 | V | 87.9 | Confident | 92.8 | Very high | 130 Ų | 130 | 52 Ų | 52 | 79% | 0.788 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -82.5 | -31.8 | -176.6 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | V366 | V364-V366 PolarHBondContact O-N 3.18Š|
| 365 | D | 91.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | trans | -74.9 | 112.2 | -176.7 | -172.9 | -64.6 | 0 | 0 | 0 | 111.1 | I331 D367 F368 V369 | I331-D365 HydrophobicContact CD1-CB 4.48Å; D365-D367 PolarHBondContact O-N 3.17Å; D365-D367 PolarHBondContact OD1-N 2.61Å; D365-D367 VanDerWaalsContact OD1-N 3.13Å; D365-F368 HydrophobicContact CB-CB 4.01Å; D365-F368 PolarHBondContact O-N 2.96Å; D365-F368 PolarHBondContact OD1-N 3.01Å; D365-V369 VanDerWaalsContact O-CG2 3.28Å; D365-V369 WeakPolarHBondContact O-CG2 3.39Å; D365-V369 PolarHBondContact O-N 2.75Å | ||
| 366 | V | 90.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 49 Ų | 49 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -41 | -173.6 | 178.8 | 0 | 0 | 0 | 0 | 112 | V364 V369 R370 Y404 | V364-V366 PolarHBondContact O-N 3.18Å; V366-V369 PolarHBondContact O-N 3.41Å; V366-R370 HydrophobicContact CG1-CG 4.48Å; V366-R370 WeakPolarHBondContact O-CB 3.41Å; V366-R370 VanDerWaalsContact O-CG 3.32Å; V366-R370 WeakPolarHBondContact O-CG 3.37Å; V366-R370 PolarHBondContact O-N 3.11Å; V366-Y404 HydrophobicContact CG1-CD2 4.12Å; V366-Y404 HydrophobicContact CG1-CG 4.19Å |
| 367 | D | 92.2 | Very high | 92.7 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.3 | -40.6 | -178.3 | -69.3 | -32 | 0 | 0 | 0 | 110.8 | M335 D365 K371 | M335-D367 HydrophobicContact CE-CB 4.05Å; D365-D367 PolarHBondContact O-N 3.17Å; D365-D367 PolarHBondContact OD1-N 2.61Å; D365-D367 VanDerWaalsContact OD1-N 3.13Å; D367-K371 WeakPolarHBondContact O-CB 3.47Å; D367-K371 PolarHBondContact O-N 3.11Å |
| 368 | F | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 174.6 | -176.2 | -114 | 0 | 0 | 0 | 112.1 | V325 I331 K334 M335 L338 Y360 E363 D365 R370 K371 S372 | V325-F368 HydrophobicContact CB-CZ 4.28Å; V325-F368 HydrophobicContact CG1-CZ 4.12Å; V325-F368 HydrophobicContact CG2-CE2 4.34Å; V325-F368 HydrophobicContact CG2-CZ 3.94Å; I331-F368 HydrophobicContact CD1-CB 3.75Å; I331-F368 HydrophobicContact CD1-CD2 4.48Å; I331-F368 HydrophobicContact CD1-CG 4.38Å; K334-F368 HydrophobicContact CB-CD2 3.79Å; K334-F368 HydrophobicContact CB-CE2 3.56Å; K334-F368 HydrophobicContact CB-CZ 4.17Å; K334-F368 HydrophobicContact CD-CD1 4.39Å; K334-F368 HydrophobicContact CD-CD2 4.4Å; K334-F368 HydrophobicContact CD-CE1 4.34Å; K334-F368 HydrophobicContact CD-CE2 4.39Å; K334-F368 HydrophobicContact CD-CG 4.42Å; K334-F368 HydrophobicContact CD-CZ 4.35Å; M335-F368 HydrophobicContact CE-CB 4.26Å; M335-F368 HydrophobicContact SD-CD2 4.09Å; L338-F368 HydrophobicContact CD2-CE2 4.26Å; Y360-F368 HydrophobicContact CD2-CE1 4.32Å; Y360-F368 AromaticContact CD2-CZ 3.88Å; Y360-F368 HydrophobicContact CD2-CZ 3.88Å; Y360-F368 AromaticContact CG-CE1 3.97Å; Y360-F368 HydrophobicContact CG-CE1 3.97Å; Y360-F368 AromaticContact CG-CZ 4Å; Y360-F368 HydrophobicContact CG-CZ 4Å; E363-F368 HydrophobicContact CB-CD1 4.14Å; E363-F368 HydrophobicContact CG-CD1 4.19Å; E363-F368 HydrophobicContact CG-CE1 4.19Å; D365-F368 HydrophobicContact CB-CB 4.01Å; D365-F368 PolarHBondContact O-N 2.96Å; D365-F368 PolarHBondContact OD1-N 3.01Å; F368-R370 PolarHBondContact O-N 3.01Å; F368-K371 PolarHBondContact O-N 2.77Å; F368-S372 WeakPolarHBondContact O-CB 3.25Å; F368-S372 PolarHBondContact O-N 2.71Å; F368-S372 PolarHBondContact O-OG 2.89Å |
| 369 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | A361 E363 D365 V366 K371 S372 V373 Y404 V405 | A361-V369 HydrophobicContact CB-CG1 4.49Å; E363-V369 HydrophobicContact CB-CG2 3.96Å; E363-V369 VanDerWaalsContact O-CG2 3.27Å; E363-V369 WeakPolarHBondContact O-CG2 3.33Å; D365-V369 VanDerWaalsContact O-CG2 3.28Å; D365-V369 WeakPolarHBondContact O-CG2 3.39Å; D365-V369 PolarHBondContact O-N 2.75Å; V366-V369 PolarHBondContact O-N 3.41Å; V369-K371 PolarHBondContact O-N 2.84Å; V369-S372 WeakPolarHBondContact O-CB 3.49Å; V369-S372 PolarHBondContact O-N 3.01Å; V369-S372 VanDerWaalsContact O-N 3.08Å; V369-V373 HydrophobicContact CG1-CG2 4.38Å; V369-V373 WeakPolarHBondContact O-CG2 3.44Å; V369-V373 PolarHBondContact O-N 3.08Å; V369-Y404 HydrophobicContact CB-CE2 4.05Å; V369-Y404 HydrophobicContact CG1-CD2 4.14Å; V369-Y404 HydrophobicContact CG1-CE2 3.65Å; V369-Y404 HydrophobicContact CG2-CE2 4.4Å; V369-V405 HydrophobicContact CG1-CG2 3.71Å |
| 370 | R | 93.7 | Very high | 92.3 | Very high | 60 Ų | 60 | 40 Ų | 40 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 177.3 | -76.2 | 177.3 | 178.1 | 160.7 | -6.8 | 111.8 | V366 F368 S372 V373 R374 E408 E440 | V366-R370 HydrophobicContact CG1-CG 4.48Å; V366-R370 WeakPolarHBondContact O-CB 3.41Å; V366-R370 VanDerWaalsContact O-CG 3.32Å; V366-R370 WeakPolarHBondContact O-CG 3.37Å; V366-R370 PolarHBondContact O-N 3.11Å; F368-R370 PolarHBondContact O-N 3.01Å; R370-S372 PolarHBondContact O-N 2.91Å; R370-V373 PolarHBondContact O-N 2.81Å; R370-R374 WeakPolarHBondContact O-CB 3.43Å; R370-R374 PolarHBondContact O-N 3.02Å; R370-E408 HydrophobicContact CB-CG 4.14Å; R370-E408 HydrophobicContact CG-CB 4.32Å; R370-E408 HydrophobicContact CG-CG 4.27Å; R370-E440 IonicContact CZ-OE1 2.81Å; R370-E440 IonicContact NH1-OE1 3.18Å; R370-E440 VanDerWaalsContact NH2-CD 3.32Å; R370-E440 IonicContact NH2-OE1 2.65Å; R370-E440 PolarHBondContact NH2-OE1 3.03Å; R370-E440 IonicContact NH2-OE2 3.55Å |
| 371 | K | 93.1 | Very high | 92 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -33.8 | 178.1 | -159.6 | 173.7 | -180 | 173.2 | 0 | 111.8 | M335 L338 D339 D367 F368 V369 R374 A375 | M335-K371 HydrophobicContact SD-CB 4.23Å; M335-K371 HydrophobicContact SD-CD 3.47Å; M335-K371 WeakPolarHBondContact SD-CD 3.31Å; M335-K371 HydrophobicContact SD-CG 4.43Å; L338-K371 HydrophobicContact CD2-CB 3.88Å; L338-K371 HydrophobicContact CD2-CD 4.14Å; L338-K371 HydrophobicContact CD2-CG 3.71Å; D339-K371 VanDerWaalsContact OD1-CE 3.25Å; D339-K371 WeakPolarHBondContact OD1-CE 3.36Å; D339-K371 IonicContact OD1-NZ 2.91Å; D339-K371 PolarHBondContact OD1-NZ 2.8Å; D339-K371 IonicContact OD2-NZ 3.53Å; D339-K371 PolarHBondContact OD2-NZ 2.82Å; D367-K371 WeakPolarHBondContact O-CB 3.47Å; D367-K371 PolarHBondContact O-N 3.11Å; F368-K371 PolarHBondContact O-N 2.77Å; V369-K371 PolarHBondContact O-N 2.84Å; K371-R374 PolarHBondContact O-N 2.76Å; K371-A375 WeakPolarHBondContact O-CB 3.16Å; K371-A375 PolarHBondContact O-N 2.89Å |
| 372 | S | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -41.5 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | F368 V369 R370 R374 A375 I376 | F368-S372 WeakPolarHBondContact O-CB 3.25Å; F368-S372 PolarHBondContact O-N 2.71Å; F368-S372 PolarHBondContact O-OG 2.89Å; V369-S372 WeakPolarHBondContact O-CB 3.49Å; V369-S372 PolarHBondContact O-N 3.01Å; V369-S372 VanDerWaalsContact O-N 3.08Å; R370-S372 PolarHBondContact O-N 2.91Å; S372-R374 VanDerWaalsContact C-N 3.34Å; S372-A375 VanDerWaalsContact O-CB 3.29Å; S372-A375 WeakPolarHBondContact O-CB 3.23Å; S372-A375 PolarHBondContact O-N 3.21Å; S372-I376 PolarHBondContact O-N 3.21Å |
| 373 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | A361 V369 R370 A375 I376 G377 L394 L397 V405 E408 A409 V412 | A361-V373 HydrophobicContact CB-CG2 4.36Å; V369-V373 HydrophobicContact CG1-CG2 4.38Å; V369-V373 WeakPolarHBondContact O-CG2 3.44Å; V369-V373 PolarHBondContact O-N 3.08Å; R370-V373 PolarHBondContact O-N 2.81Å; V373-A375 VanDerWaalsContact C-N 3.28Å; V373-A375 PolarHBondContact O-N 3.41Å; V373-I376 WeakPolarHBondContact O-CB 3.22Å; V373-I376 PolarHBondContact O-N 2.85Å; V373-I376 VanDerWaalsContact O-N 3.15Å; V373-G377 PolarHBondContact O-N 3.2Å; V373-L394 HydrophobicContact CG1-CD2 3.85Å; V373-L397 HydrophobicContact CG2-CD1 4.22Å; V373-V405 HydrophobicContact CG2-CG1 4.16Å; V373-E408 HydrophobicContact CB-CB 4.28Å; V373-E408 HydrophobicContact CB-CG 3.89Å; V373-E408 HydrophobicContact CG1-CB 4.04Å; V373-E408 HydrophobicContact CG1-CG 3.89Å; V373-A409 HydrophobicContact CG1-CB 4.07Å; V373-V412 HydrophobicContact CG1-CG2 4.37Å |
| 374 | R | 93.2 | Very high | 91.7 | Very high | 118 Ų | 118 | 41.5 Ų | 41.5 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 175.4 | -156 | 168.9 | -177.4 | 160.9 | 2.3 | 112.7 | R370 K371 S372 I376 G377 R378 V412 | R370-R374 WeakPolarHBondContact O-CB 3.43Å; R370-R374 PolarHBondContact O-N 3.02Å; K371-R374 PolarHBondContact O-N 2.76Å; S372-R374 VanDerWaalsContact C-N 3.34Å; R374-I376 VanDerWaalsContact C-N 3.33Å; R374-I376 PolarHBondContact O-N 3.47Å; R374-G377 WeakPolarHBondContact O-CA 3.49Å; R374-G377 PolarHBondContact O-N 3.5Å; R374-R378 PolarHBondContact O-N 2.69Å; R374-V412 HydrophobicContact CB-CG2 4.35Å; R374-V412 HydrophobicContact CG-CG2 4.3Å |
| 375 | A | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L338 I342 L357 K371 S372 V373 G377 R378 C379 | L338-A375 HydrophobicContact CD1-CB 3.77Å; L338-A375 HydrophobicContact CD2-CB 4.47Å; L338-A375 HydrophobicContact CG-CB 4.27Å; I342-A375 HydrophobicContact CD1-CB 3.42Å; I342-A375 VanDerWaalsContact CD1-CB 3.42Å; I342-A375 HydrophobicContact CG1-CB 3.75Å; L357-A375 HydrophobicContact CD1-CB 4.05Å; L357-A375 HydrophobicContact CD2-CB 3.9Å; K371-A375 WeakPolarHBondContact O-CB 3.16Å; K371-A375 PolarHBondContact O-N 2.89Å; S372-A375 VanDerWaalsContact O-CB 3.29Å; S372-A375 WeakPolarHBondContact O-CB 3.23Å; S372-A375 PolarHBondContact O-N 3.21Å; V373-A375 VanDerWaalsContact C-N 3.28Å; V373-A375 PolarHBondContact O-N 3.41Å; A375-G377 VanDerWaalsContact C-N 3.26Å; A375-G377 PolarHBondContact O-N 3.28Å; A375-R378 PolarHBondContact O-N 3.03Å; A375-C379 PolarHBondContact O-N 3.42Å; A375-C379 PolarHBondContact O-SG 2.88Å |
| 376 | I | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.3 | -60.8 | 168.9 | 0 | 0 | 0 | 110.1 | L354 L357 S372 V373 R374 C379 A380 C390 T393 L394 L397 | L354-I376 HydrophobicContact CD2-CG1 4.43Å; L354-I376 HydrophobicContact CD2-CG2 3.97Å; L357-I376 HydrophobicContact CB-CD1 4.17Å; L357-I376 HydrophobicContact CB-CG1 3.75Å; L357-I376 HydrophobicContact CD1-CG1 3.76Å; L357-I376 HydrophobicContact CG-CG1 4.37Å; S372-I376 PolarHBondContact O-N 3.21Å; V373-I376 WeakPolarHBondContact O-CB 3.22Å; V373-I376 PolarHBondContact O-N 2.85Å; V373-I376 VanDerWaalsContact O-N 3.15Å; R374-I376 VanDerWaalsContact C-N 3.33Å; R374-I376 PolarHBondContact O-N 3.47Å; I376-C379 WeakPolarHBondContact O-CB 3.39Å; I376-C379 PolarHBondContact O-N 3.17Å; I376-A380 PolarHBondContact O-N 3.15Å; I376-C390 HydrophobicContact CG2-CB 3.85Å; I376-T393 HydrophobicContact CD1-CG2 3.96Å; I376-L394 HydrophobicContact CB-CD2 4.18Å; I376-L394 HydrophobicContact CD1-CD2 4.35Å; I376-L394 HydrophobicContact CG2-CD1 4.29Å; I376-L394 HydrophobicContact CG2-CD2 4.01Å; I376-L394 HydrophobicContact CG2-CG 3.85Å; I376-L397 HydrophobicContact CD1-CD1 3.62Å |
| 377 | G | 90.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V373 R374 A375 C379 A380 I381 | V373-G377 PolarHBondContact O-N 3.2Å; R374-G377 WeakPolarHBondContact O-CA 3.49Å; R374-G377 PolarHBondContact O-N 3.5Å; A375-G377 VanDerWaalsContact C-N 3.26Å; A375-G377 PolarHBondContact O-N 3.28Å; G377-C379 VanDerWaalsContact C-N 3.29Å; G377-C379 PolarHBondContact O-N 3.5Å; G377-A380 VanDerWaalsContact O-CB 3.32Å; G377-A380 WeakPolarHBondContact O-CB 3.29Å; G377-A380 PolarHBondContact O-N 2.86Å; G377-I381 WeakPolarHBondContact O-CG1 3.39Å; G377-I381 PolarHBondContact O-N 3.03Å |
| 378 | R | 91.3 | Very high | 91.4 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 178.3 | -67.7 | 177.4 | 73.7 | -159.3 | 1.2 | 111.7 | D339 I342 R374 A375 A380 I381 K382 D552 | D339-R378 IonicContact OD1-NH1 2.76Å; D339-R378 PolarHBondContact OD1-NH1 3.43Å; I342-R378 HydrophobicContact CG2-CB 3.89Å; R374-R378 PolarHBondContact O-N 2.69Å; A375-R378 PolarHBondContact O-N 3.03Å; R378-A380 PolarHBondContact O-N 3.07Å; R378-I381 PolarHBondContact O-N 3Å; R378-K382 VanDerWaalsContact O-CB 3.28Å; R378-K382 WeakPolarHBondContact O-CB 3.48Å; R378-K382 PolarHBondContact O-N 2.77Å; R378-D552 IonicContact CZ-OD2 2.67Å; R378-D552 IonicContact NE-OD2 2.76Å; R378-D552 PolarHBondContact NE-OD2 3.48Å; R378-D552 VanDerWaalsContact NE-OD2 3.14Å; R378-D552 VanDerWaalsContact NH2-CG 3.26Å; R378-D552 IonicContact NH2-OD2 3Å; R378-D552 PolarHBondContact NH2-OD2 3.28Å |
| 379 | C | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 172.2 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | I350 A375 I376 G377 I381 K382 V383 | I350-C379 HydrophobicContact CD1-CB 3.78Å; A375-C379 PolarHBondContact O-N 3.42Å; A375-C379 PolarHBondContact O-SG 2.88Å; I376-C379 WeakPolarHBondContact O-CB 3.39Å; I376-C379 PolarHBondContact O-N 3.17Å; G377-C379 VanDerWaalsContact C-N 3.29Å; G377-C379 PolarHBondContact O-N 3.5Å; C379-I381 VanDerWaalsContact C-N 3.31Å; C379-I381 PolarHBondContact O-N 2.95Å; C379-K382 PolarHBondContact O-N 3.08Å; C379-V383 PolarHBondContact O-N 3.19Å |
| 380 | A | 90.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I376 G377 R378 A387 C390 I416 Y420 | I376-A380 PolarHBondContact O-N 3.15Å; G377-A380 VanDerWaalsContact O-CB 3.32Å; G377-A380 WeakPolarHBondContact O-CB 3.29Å; G377-A380 PolarHBondContact O-N 2.86Å; R378-A380 PolarHBondContact O-N 3.07Å; A380-A387 HydrophobicContact CB-CB 4.47Å; A380-C390 HydrophobicContact CB-CB 3.54Å; A380-I416 HydrophobicContact CB-CD1 3.92Å; A380-I416 HydrophobicContact CB-CG1 4.13Å; A380-Y420 PolarHBondContact O-OH 2.9Å |
| 381 | I | 86.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.2 | -40 | -179.8 | -64.8 | 166.2 | 0 | 0 | 0 | 111.2 | G377 R378 C379 I547 | G377-I381 WeakPolarHBondContact O-CG1 3.39Å; G377-I381 PolarHBondContact O-N 3.03Å; R378-I381 PolarHBondContact O-N 3Å; C379-I381 VanDerWaalsContact C-N 3.31Å; C379-I381 PolarHBondContact O-N 2.95Å; I381-I547 HydrophobicContact CD1-CG2 4.47Å |
| 382 | K | 87.7 | Confident | 91.2 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.4 | -43.7 | -177.6 | 179.8 | 177.8 | -172 | -149 | 0 | 113.4 | I342 R343 A345 R378 C379 E549 | I342-K382 PolarHBondContact O-NZ 3.31Å; R343-K382 PolarHBondContact O-NZ 3.43Å; A345-K382 PolarHBondContact O-NZ 3.13Å; R378-K382 VanDerWaalsContact O-CB 3.28Å; R378-K382 WeakPolarHBondContact O-CB 3.48Å; R378-K382 PolarHBondContact O-N 2.77Å; C379-K382 PolarHBondContact O-N 3.08Å; K382-E549 VanDerWaalsContact CD-OE1 3.28Å; K382-E549 WeakPolarHBondContact CD-OE1 3.27Å; K382-E549 VanDerWaalsContact CE-OE1 3.26Å; K382-E549 WeakPolarHBondContact CE-OE1 3.43Å; K382-E549 VanDerWaalsContact CG-OE1 3.32Å; K382-E549 WeakPolarHBondContact CG-OE1 3.48Å |
| 383 | V | 88.2 | Confident | 91.1 | Very high | 16 Ų | 16 | 40 Ų | 40 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | trans | -114.2 | 87.9 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | Q347 C379 A385 S386 | Q347-V383 HydrophobicContact CB-CG1 4.28Å; C379-V383 PolarHBondContact O-N 3.19Å; V383-A385 PolarHBondContact O-N 3.11Å; V383-A385 VanDerWaalsContact O-N 3.15Å; V383-S386 WeakPolarHBondContact CB-OG 3.32Å; V383-S386 WeakPolarHBondContact O-CA 2.88Å; V383-S386 WeakPolarHBondContact O-CB 3.4Å; V383-S386 PolarHBondContact O-N 3.32Å; V383-S386 PolarHBondContact O-OG 2.83Å | ||
| 384 | E | 87.6 | Confident | 91.1 | Very high | 118 Ų | 118 | 40 Ų | 40 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -55.9 | -38 | -171.9 | -49 | -163.1 | 140.2 | 0 | 0 | 113.3 | S386 A387 Y420 | E384-S386 PolarHBondContact O-N 3.43Å; E384-S386 VanDerWaalsContact O-N 3.11Å; E384-A387 WeakPolarHBondContact O-CB 3.36Å; E384-A387 PolarHBondContact O-N 3.42Å; E384-A387 VanDerWaalsContact O-N 3.14Å; E384-Y420 WeakPolarHBondContact CA-OH 3.43Å; E384-Y420 HydrophobicContact CB-CE1 4.44Å; E384-Y420 WeakPolarHBondContact CB-OH 3.38Å; E384-Y420 VanDerWaalsContact CG-OH 3.29Å; E384-Y420 WeakPolarHBondContact CG-OH 3.21Å |
| 385 | A | 88.6 | Confident | 91.1 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 60% | 0.603 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -66.5 | -10.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V383 | V383-A385 PolarHBondContact O-N 3.11Å; V383-A385 VanDerWaalsContact O-N 3.15Å |
| 386 | S | 88.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -104.1 | -5.1 | 177 | 78.8 | 0 | 0 | 0 | 0 | 113.8 | V383 E384 E388 R389 C390 | V383-S386 WeakPolarHBondContact CB-OG 3.32Å; V383-S386 WeakPolarHBondContact O-CA 2.88Å; V383-S386 WeakPolarHBondContact O-CB 3.4Å; V383-S386 PolarHBondContact O-N 3.32Å; V383-S386 PolarHBondContact O-OG 2.83Å; E384-S386 PolarHBondContact O-N 3.43Å; E384-S386 VanDerWaalsContact O-N 3.11Å; S386-E388 VanDerWaalsContact C-N 3.27Å; S386-E388 PolarHBondContact O-N 3.32Å; S386-R389 WeakPolarHBondContact O-CB 3.48Å; S386-R389 PolarHBondContact O-N 3.16Å; S386-C390 PolarHBondContact O-N 3.42Å; S386-C390 PolarHBondContact O-SG 3.37Å |
| 387 | A | 89.7 | Confident | 91 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.7 | -41.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A380 E384 R389 C390 V391 Y420 Y424 | A380-A387 HydrophobicContact CB-CB 4.47Å; E384-A387 WeakPolarHBondContact O-CB 3.36Å; E384-A387 PolarHBondContact O-N 3.42Å; E384-A387 VanDerWaalsContact O-N 3.14Å; A387-R389 VanDerWaalsContact C-N 3.33Å; A387-R389 PolarHBondContact O-N 3.48Å; A387-C390 PolarHBondContact O-N 3.03Å; A387-V391 WeakPolarHBondContact O-CB 3.28Å; A387-V391 VanDerWaalsContact O-CG2 3.26Å; A387-V391 WeakPolarHBondContact O-CG2 3.25Å; A387-V391 PolarHBondContact O-N 2.65Å; A387-Y420 HydrophobicContact CB-CD2 4.25Å; A387-Y420 HydrophobicContact CB-CE2 3.69Å; A387-Y424 VanDerWaalsContact CB-OH 3.31Å; A387-Y424 WeakPolarHBondContact CB-OH 3.3Å |
| 388 | E | 91.1 | Very high | 91 | Very high | 121 Ų | 121 | 37.6 Ų | 37.6 | 57% | 0.565 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -58.9 | -40.7 | 175.2 | -81.2 | 161.6 | -144.8 | 0 | 0 | 113.2 | S386 Q392 K423 Y424 | S386-E388 VanDerWaalsContact C-N 3.27Å; S386-E388 PolarHBondContact O-N 3.32Å; E388-Q392 PolarHBondContact O-N 3.27Å; E388-K423 WeakPolarHBondContact OE1-CE 3.38Å; E388-K423 IonicContact OE1-NZ 2.76Å; E388-K423 PolarHBondContact OE1-NZ 2.94Å; E388-Y424 HydrophobicContact CG-CE1 3.68Å; E388-Y424 PolarHBondContact N-OH 3.47Å |
| 389 | R | 91.9 | Very high | 91 | Very high | 132 Ų | 132 | 40.8 Ų | 40.8 | 50% | 0.498 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.2 | -38.7 | 178.4 | -63.3 | -177.7 | -177.7 | 161.7 | 0.6 | 111.8 | L354 S386 A387 Q392 T393 | L354-R389 HydrophobicContact CD1-CB 3.81Å; S386-R389 WeakPolarHBondContact O-CB 3.48Å; S386-R389 PolarHBondContact O-N 3.16Å; A387-R389 VanDerWaalsContact C-N 3.33Å; A387-R389 PolarHBondContact O-N 3.48Å; R389-Q392 PolarHBondContact O-N 2.77Å; R389-T393 PolarHBondContact O-N 3.1Å; R389-T393 PolarHBondContact O-OG1 3.31Å |
| 390 | C | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | L354 I376 A380 S386 A387 Q392 T393 L394 | L354-C390 HydrophobicContact CD2-CB 4.48Å; I376-C390 HydrophobicContact CG2-CB 3.85Å; A380-C390 HydrophobicContact CB-CB 3.54Å; S386-C390 PolarHBondContact O-N 3.42Å; S386-C390 PolarHBondContact O-SG 3.37Å; A387-C390 PolarHBondContact O-N 3.03Å; C390-Q392 PolarHBondContact O-N 3.38Å; C390-T393 WeakPolarHBondContact O-CB 3.23Å; C390-T393 PolarHBondContact O-N 2.98Å; C390-T393 VanDerWaalsContact O-N 3.13Å; C390-L394 WeakPolarHBondContact O-CG 3.47Å; C390-L394 PolarHBondContact O-N 3.35Å |
| 391 | V | 93.2 | Very high | 90.8 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | A387 T393 L394 L395 I416 Y424 I427 | A387-V391 WeakPolarHBondContact O-CB 3.28Å; A387-V391 VanDerWaalsContact O-CG2 3.26Å; A387-V391 WeakPolarHBondContact O-CG2 3.25Å; A387-V391 PolarHBondContact O-N 2.65Å; V391-T393 VanDerWaalsContact C-N 3.28Å; V391-T393 PolarHBondContact O-N 2.9Å; V391-L394 PolarHBondContact O-N 3.17Å; V391-L395 WeakPolarHBondContact O-CG 3.48Å; V391-L395 PolarHBondContact O-N 2.9Å; V391-I416 HydrophobicContact CG2-CD1 4.05Å; V391-I416 HydrophobicContact CG2-CG2 3.89Å; V391-Y424 HydrophobicContact CG1-CD1 4.3Å; V391-Y424 HydrophobicContact CG2-CD1 4.32Å; V391-Y424 HydrophobicContact CG2-CD2 4.39Å; V391-Y424 HydrophobicContact CG2-CE1 4.34Å; V391-Y424 HydrophobicContact CG2-CE2 4.4Å; V391-Y424 HydrophobicContact CG2-CG 4.36Å; V391-I427 HydrophobicContact CG1-CD1 3.22Å; V391-I427 HydrophobicContact CG1-CG1 3.96Å |
| 392 | Q | 92.9 | Very high | 91 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.6 | -174.5 | 59.5 | 54.8 | 0 | 0 | 111.9 | E388 R389 C390 L395 D396 | E388-Q392 PolarHBondContact O-N 3.27Å; R389-Q392 PolarHBondContact O-N 2.77Å; C390-Q392 PolarHBondContact O-N 3.38Å; Q392-L395 WeakPolarHBondContact O-CB 3.29Å; Q392-L395 PolarHBondContact O-N 2.87Å; Q392-D396 PolarHBondContact NE2-OD1 3.18Å; Q392-D396 VanDerWaalsContact O-CG 3.31Å; Q392-D396 PolarHBondContact O-N 3.47Å |
| 393 | T | 94.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.9 | -53 | 0 | 0 | 0 | 0 | 111 | K358 I376 R389 C390 V391 L395 D396 L397 | K358-T393 HydrophobicContact CB-CG2 4.08Å; K358-T393 HydrophobicContact CD-CG2 4.35Å; K358-T393 HydrophobicContact CG-CG2 4.34Å; I376-T393 HydrophobicContact CD1-CG2 3.96Å; R389-T393 PolarHBondContact O-N 3.1Å; R389-T393 PolarHBondContact O-OG1 3.31Å; C390-T393 WeakPolarHBondContact O-CB 3.23Å; C390-T393 PolarHBondContact O-N 2.98Å; C390-T393 VanDerWaalsContact O-N 3.13Å; V391-T393 VanDerWaalsContact C-N 3.28Å; V391-T393 PolarHBondContact O-N 2.9Å; T393-L395 VanDerWaalsContact C-N 3.35Å; T393-L395 PolarHBondContact O-N 3.41Å; T393-D396 PolarHBondContact O-N 3.33Å; T393-L397 WeakPolarHBondContact O-CG 3.24Å; T393-L397 PolarHBondContact O-N 3.24Å |
| 394 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.8 | -67.7 | 167.7 | 0 | 0 | 0 | 112 | V373 I376 C390 V391 L397 I398 A409 V412 I413 I416 | V373-L394 HydrophobicContact CG1-CD2 3.85Å; I376-L394 HydrophobicContact CB-CD2 4.18Å; I376-L394 HydrophobicContact CD1-CD2 4.35Å; I376-L394 HydrophobicContact CG2-CD1 4.29Å; I376-L394 HydrophobicContact CG2-CD2 4.01Å; I376-L394 HydrophobicContact CG2-CG 3.85Å; C390-L394 WeakPolarHBondContact O-CG 3.47Å; C390-L394 PolarHBondContact O-N 3.35Å; V391-L394 PolarHBondContact O-N 3.17Å; L394-L397 PolarHBondContact O-N 2.99Å; L394-I398 VanDerWaalsContact O-CG1 3.29Å; L394-I398 WeakPolarHBondContact O-CG1 3.43Å; L394-I398 PolarHBondContact O-N 3.14Å; L394-A409 HydrophobicContact CD2-CB 4.14Å; L394-V412 HydrophobicContact CD1-CB 4.45Å; L394-V412 HydrophobicContact CD1-CG1 3.61Å; L394-V412 HydrophobicContact CD2-CG1 4.27Å; L394-I413 HydrophobicContact CB-CD1 4.28Å; L394-I413 HydrophobicContact CB-CG1 4.43Å; L394-I413 HydrophobicContact CD1-CG1 3.94Å; L394-I416 HydrophobicContact CD1-CD1 3.6Å |
| 395 | L | 93.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 173.5 | -77.6 | 177.7 | 0 | 0 | 0 | 112 | V391 Q392 T393 L397 I398 Q399 I427 T430 | V391-L395 WeakPolarHBondContact O-CG 3.48Å; V391-L395 PolarHBondContact O-N 2.9Å; Q392-L395 WeakPolarHBondContact O-CB 3.29Å; Q392-L395 PolarHBondContact O-N 2.87Å; T393-L395 VanDerWaalsContact C-N 3.35Å; T393-L395 PolarHBondContact O-N 3.41Å; L395-L397 PolarHBondContact O-N 2.9Å; L395-I398 PolarHBondContact O-N 3.41Å; L395-Q399 WeakPolarHBondContact O-CG 3.26Å; L395-Q399 PolarHBondContact O-N 3.15Å; L395-I427 HydrophobicContact CD1-CG1 3.71Å; L395-I427 HydrophobicContact CD2-CB 4.29Å; L395-I427 HydrophobicContact CD2-CG1 3.92Å; L395-I427 HydrophobicContact CD2-CG2 3.72Å; L395-I427 HydrophobicContact CG-CG1 4.05Å; L395-I427 HydrophobicContact CG-CG2 4.5Å; L395-T430 HydrophobicContact CD2-CG2 4.14Å |
| 396 | D | 93.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.4 | -39.3 | 176.3 | -66.9 | -0 | 0 | 0 | 0 | 111 | K358 Q392 T393 Q399 | K358-D396 IonicContact NZ-OD2 3.13Å; K358-D396 PolarHBondContact NZ-OD2 2.81Å; Q392-D396 PolarHBondContact NE2-OD1 3.18Å; Q392-D396 VanDerWaalsContact O-CG 3.31Å; Q392-D396 PolarHBondContact O-N 3.47Å; T393-D396 PolarHBondContact O-N 3.33Å; D396-Q399 PolarHBondContact O-N 2.6Å |
| 397 | L | 92.5 | Very high | 92 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.5 | -69.6 | 178.9 | 0 | 0 | 0 | 112 | K358 A361 V373 I376 T393 L394 L395 Q399 T400 V405 | K358-L397 HydrophobicContact CG-CD2 4.21Å; A361-L397 HydrophobicContact CB-CD1 3.92Å; A361-L397 HydrophobicContact CB-CD2 3.51Å; A361-L397 HydrophobicContact CB-CG 4.37Å; V373-L397 HydrophobicContact CG2-CD1 4.22Å; I376-L397 HydrophobicContact CD1-CD1 3.62Å; T393-L397 WeakPolarHBondContact O-CG 3.24Å; T393-L397 PolarHBondContact O-N 3.24Å; L394-L397 PolarHBondContact O-N 2.99Å; L395-L397 PolarHBondContact O-N 2.9Å; L397-Q399 VanDerWaalsContact C-N 3.27Å; L397-Q399 PolarHBondContact O-N 3Å; L397-T400 WeakPolarHBondContact O-CB 3.37Å; L397-T400 WeakPolarHBondContact O-CG2 3.33Å; L397-T400 PolarHBondContact O-N 3.45Å; L397-T400 VanDerWaalsContact O-N 3.12Å; L397-T400 PolarHBondContact O-OG1 3.01Å; L397-V405 HydrophobicContact CB-CG1 3.89Å |
| 398 | I | 91.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 175.1 | -70.9 | 161.8 | 0 | 0 | 0 | 110.8 | L394 L395 T400 K401 V406 A409 I413 L431 | L394-I398 VanDerWaalsContact O-CG1 3.29Å; L394-I398 WeakPolarHBondContact O-CG1 3.43Å; L394-I398 PolarHBondContact O-N 3.14Å; L395-I398 PolarHBondContact O-N 3.41Å; I398-T400 PolarHBondContact O-N 3.37Å; I398-T400 VanDerWaalsContact O-N 3.14Å; I398-K401 PolarHBondContact O-N 3.36Å; I398-V406 HydrophobicContact CG2-CG1 4.36Å; I398-V406 HydrophobicContact CG2-CG2 4.42Å; I398-A409 HydrophobicContact CD1-CB 4Å; I398-A409 HydrophobicContact CG1-CB 3.77Å; I398-I413 HydrophobicContact CD1-CD1 3.64Å; I398-L431 HydrophobicContact CD1-CD2 3.63Å |
| 399 | Q | 90.4 | Very high | 92.4 | Very high | 129 Ų | 129 | 42.8 Ų | 42.8 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.9 | 177.4 | -70.7 | 176.5 | 8.8 | 0 | 0 | 114 | L395 D396 L397 K401 | L395-Q399 WeakPolarHBondContact O-CG 3.26Å; L395-Q399 PolarHBondContact O-N 3.15Å; D396-Q399 PolarHBondContact O-N 2.6Å; L397-Q399 VanDerWaalsContact C-N 3.27Å; L397-Q399 PolarHBondContact O-N 3Å; Q399-K401 PolarHBondContact O-N 2.91Å |
| 400 | T | 89.7 | Confident | 92.5 | Very high | 75 Ų | 75 | 36.5 Ų | 36.5 | 46% | 0.46 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.6 | 173 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | L397 I398 V402 | L397-T400 WeakPolarHBondContact O-CB 3.37Å; L397-T400 WeakPolarHBondContact O-CG2 3.33Å; L397-T400 PolarHBondContact O-N 3.45Å; L397-T400 VanDerWaalsContact O-N 3.12Å; L397-T400 PolarHBondContact O-OG1 3.01Å; I398-T400 PolarHBondContact O-N 3.37Å; I398-T400 VanDerWaalsContact O-N 3.14Å; T400-V402 PolarHBondContact O-N 3.42Å |
| 401 | K | 87.8 | Confident | 92.5 | Very high | 152 Ų | 152 | 36.7 Ų | 36.7 | 66% | 0.661 | 18% | 0.182 | S | C | * | . | trans | 56.9 | 26.7 | -178.6 | -58 | -170.9 | 174.5 | -166.7 | 0 | 114.2 | I398 Q399 | I398-K401 PolarHBondContact O-N 3.36Å; Q399-K401 PolarHBondContact O-N 2.91Å | ||
| 402 | V | 90.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 30% | 0.303 | 18% | 0.182 | S | C | . | . | trans | -83 | 115.1 | 171.3 | 179 | 0 | 0 | 0 | 0 | 109.1 | T400 Y404 V405 V406 | T400-V402 PolarHBondContact O-N 3.42Å; V402-Y404 HydrophobicContact CG1-CD1 3.8Å; V402-Y404 HydrophobicContact CG1-CD2 4.43Å; V402-Y404 HydrophobicContact CG1-CE1 3.32Å; V402-Y404 HydrophobicContact CG1-CE2 4.04Å; V402-Y404 HydrophobicContact CG1-CG 4.32Å; V402-Y404 VanDerWaalsContact CG1-CZ 3.46Å; V402-Y404 PolarHBondContact O-N 3.44Å; V402-V405 HydrophobicContact CB-CB 4.1Å; V402-V405 HydrophobicContact CB-CG2 3.97Å; V402-V405 HydrophobicContact CG1-CB 4.27Å; V402-V405 HydrophobicContact CG1-CG2 3.74Å; V402-V405 WeakPolarHBondContact O-CB 3.49Å; V402-V405 PolarHBondContact O-N 2.75Å; V402-V405 VanDerWaalsContact O-N 3.07Å; V402-V406 WeakPolarHBondContact O-CG2 3.42Å; V402-V406 PolarHBondContact O-N 3.4Å | ||
| 403 | N | 90.6 | Very high | 92.6 | Very high | 81 Ų | 81 | 32.1 Ų | 32.1 | 43% | 0.433 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -48.4 | -56.9 | -170.6 | -68.5 | -12.1 | 0 | 0 | 0 | 114 | V405 V406 Q407 | N403-V405 VanDerWaalsContact C-N 3.28Å; N403-V405 PolarHBondContact O-N 2.91Å; N403-V406 PolarHBondContact O-N 3.33Å; N403-Q407 WeakPolarHBondContact O-CB 3.3Å; N403-Q407 VanDerWaalsContact O-CG 3.26Å; N403-Q407 WeakPolarHBondContact O-CG 3.03Å; N403-Q407 PolarHBondContact O-N 3.02Å |
| 404 | Y | 91 | Very high | 92.4 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 26% | 0.263 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.9 | -27.5 | -176.7 | 59.4 | -93.2 | 0 | 0 | 0 | 113.4 | V366 V369 V402 E408 | V366-Y404 HydrophobicContact CG1-CD2 4.12Å; V366-Y404 HydrophobicContact CG1-CG 4.19Å; V369-Y404 HydrophobicContact CB-CE2 4.05Å; V369-Y404 HydrophobicContact CG1-CD2 4.14Å; V369-Y404 HydrophobicContact CG1-CE2 3.65Å; V369-Y404 HydrophobicContact CG2-CE2 4.4Å; V402-Y404 HydrophobicContact CG1-CD1 3.8Å; V402-Y404 HydrophobicContact CG1-CD2 4.43Å; V402-Y404 HydrophobicContact CG1-CE1 3.32Å; V402-Y404 HydrophobicContact CG1-CE2 4.04Å; V402-Y404 HydrophobicContact CG1-CG 4.32Å; V402-Y404 VanDerWaalsContact CG1-CZ 3.46Å; V402-Y404 PolarHBondContact O-N 3.44Å; Y404-E408 WeakPolarHBondContact O-CB 3.43Å; Y404-E408 PolarHBondContact O-N 3.01Å; Y404-E408 VanDerWaalsContact O-N 3.15Å |
| 405 | V | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.2 | -45.6 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | V369 V373 L397 V402 N403 Q407 E408 A409 | V369-V405 HydrophobicContact CG1-CG2 3.71Å; V373-V405 HydrophobicContact CG2-CG1 4.16Å; L397-V405 HydrophobicContact CB-CG1 3.89Å; V402-V405 HydrophobicContact CB-CB 4.1Å; V402-V405 HydrophobicContact CB-CG2 3.97Å; V402-V405 HydrophobicContact CG1-CB 4.27Å; V402-V405 HydrophobicContact CG1-CG2 3.74Å; V402-V405 WeakPolarHBondContact O-CB 3.49Å; V402-V405 PolarHBondContact O-N 2.75Å; V402-V405 VanDerWaalsContact O-N 3.07Å; N403-V405 VanDerWaalsContact C-N 3.28Å; N403-V405 PolarHBondContact O-N 2.91Å; V405-Q407 VanDerWaalsContact C-N 3.31Å; V405-Q407 PolarHBondContact O-N 2.88Å; V405-E408 PolarHBondContact O-N 3.16Å; V405-A409 VanDerWaalsContact O-CB 3.23Å; V405-A409 WeakPolarHBondContact O-CB 3.24Å; V405-A409 PolarHBondContact O-N 3.24Å |
| 406 | V | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 110 | I398 V402 N403 A409 I410 N434 T437 | I398-V406 HydrophobicContact CG2-CG1 4.36Å; I398-V406 HydrophobicContact CG2-CG2 4.42Å; V402-V406 WeakPolarHBondContact O-CG2 3.42Å; V402-V406 PolarHBondContact O-N 3.4Å; N403-V406 PolarHBondContact O-N 3.33Å; V406-A409 PolarHBondContact O-N 3.17Å; V406-I410 HydrophobicContact CG1-CD1 3.83Å; V406-I410 WeakPolarHBondContact O-CD1 3.37Å; V406-I410 VanDerWaalsContact O-CG1 3.27Å; V406-I410 WeakPolarHBondContact O-CG1 3.23Å; V406-I410 PolarHBondContact O-N 3.07Å; V406-N434 HydrophobicContact CG1-CB 4.15Å; V406-T437 WeakPolarHBondContact CG1-OG1 3.46Å |
| 407 | Q | 93.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -49.2 | -179.9 | -74.2 | -176.5 | 61.2 | 0 | 0 | 112.8 | N403 V405 A409 I410 V411 T437 L438 D439 A443 | N403-Q407 WeakPolarHBondContact O-CB 3.3Å; N403-Q407 VanDerWaalsContact O-CG 3.26Å; N403-Q407 WeakPolarHBondContact O-CG 3.03Å; N403-Q407 PolarHBondContact O-N 3.02Å; V405-Q407 VanDerWaalsContact C-N 3.31Å; V405-Q407 PolarHBondContact O-N 2.88Å; Q407-A409 VanDerWaalsContact C-N 3.32Å; Q407-A409 PolarHBondContact O-N 3.44Å; Q407-I410 WeakPolarHBondContact O-CB 3.48Å; Q407-I410 PolarHBondContact O-N 3.3Å; Q407-V411 WeakPolarHBondContact O-CG2 3.45Å; Q407-V411 PolarHBondContact O-N 3.34Å; Q407-T437 PolarHBondContact NE2-O 3.37Å; Q407-L438 HydrophobicContact CG-CD2 3.76Å; Q407-D439 PolarHBondContact NE2-OD1 3.38Å; Q407-D439 PolarHBondContact OE1-OD1 3.18Å; Q407-A443 HydrophobicContact CB-CB 3.67Å; Q407-A443 HydrophobicContact CG-CB 3.89Å |
| 408 | E | 94.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.5 | -168 | 71.1 | -150.9 | 0 | 0 | 111.2 | R370 V373 Y404 V405 I410 V411 V412 | R370-E408 HydrophobicContact CB-CG 4.14Å; R370-E408 HydrophobicContact CG-CB 4.32Å; R370-E408 HydrophobicContact CG-CG 4.27Å; V373-E408 HydrophobicContact CB-CB 4.28Å; V373-E408 HydrophobicContact CB-CG 3.89Å; V373-E408 HydrophobicContact CG1-CB 4.04Å; V373-E408 HydrophobicContact CG1-CG 3.89Å; Y404-E408 WeakPolarHBondContact O-CB 3.43Å; Y404-E408 PolarHBondContact O-N 3.01Å; Y404-E408 VanDerWaalsContact O-N 3.15Å; V405-E408 PolarHBondContact O-N 3.16Å; E408-I410 VanDerWaalsContact C-N 3.28Å; E408-I410 PolarHBondContact O-N 2.78Å; E408-V411 WeakPolarHBondContact O-CB 3.48Å; E408-V411 PolarHBondContact O-N 3.36Å; E408-V412 WeakPolarHBondContact O-CG2 3.5Å; E408-V412 PolarHBondContact O-N 2.85Å |
| 409 | A | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V373 L394 I398 V405 V406 Q407 V412 I413 | V373-A409 HydrophobicContact CG1-CB 4.07Å; L394-A409 HydrophobicContact CD2-CB 4.14Å; I398-A409 HydrophobicContact CD1-CB 4Å; I398-A409 HydrophobicContact CG1-CB 3.77Å; V405-A409 VanDerWaalsContact O-CB 3.23Å; V405-A409 WeakPolarHBondContact O-CB 3.24Å; V405-A409 PolarHBondContact O-N 3.24Å; V406-A409 PolarHBondContact O-N 3.17Å; Q407-A409 VanDerWaalsContact C-N 3.32Å; Q407-A409 PolarHBondContact O-N 3.44Å; A409-V412 PolarHBondContact O-N 3.07Å; A409-I413 WeakPolarHBondContact O-CB 3.49Å; A409-I413 WeakPolarHBondContact O-CG1 3.38Å; A409-I413 PolarHBondContact O-N 2.84Å |
| 410 | I | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 175.4 | -71.8 | 161 | 0 | 0 | 0 | 111.3 | V406 Q407 E408 V412 I413 K414 L431 L438 M447 | V406-I410 HydrophobicContact CG1-CD1 3.83Å; V406-I410 WeakPolarHBondContact O-CD1 3.37Å; V406-I410 VanDerWaalsContact O-CG1 3.27Å; V406-I410 WeakPolarHBondContact O-CG1 3.23Å; V406-I410 PolarHBondContact O-N 3.07Å; Q407-I410 WeakPolarHBondContact O-CB 3.48Å; Q407-I410 PolarHBondContact O-N 3.3Å; E408-I410 VanDerWaalsContact C-N 3.28Å; E408-I410 PolarHBondContact O-N 2.78Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 PolarHBondContact O-N 3.33Å; I410-I413 PolarHBondContact O-N 2.81Å; I410-K414 PolarHBondContact O-N 2.79Å; I410-L431 HydrophobicContact CG1-CD2 4.13Å; I410-L438 HydrophobicContact CD1-CD2 3.55Å; I410-L438 HydrophobicContact CD1-CG 4.48Å; I410-M447 HydrophobicContact CD1-CE 3.48Å; I410-M447 VanDerWaalsContact CD1-CE 3.48Å; I410-M447 HydrophobicContact CG1-CE 3.85Å; I410-M447 HydrophobicContact CG2-CB 4.08Å; I410-M447 HydrophobicContact CG2-CE 3.93Å |
| 411 | V | 93.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | Q407 E408 K414 D415 E442 A443 | Q407-V411 WeakPolarHBondContact O-CG2 3.45Å; Q407-V411 PolarHBondContact O-N 3.34Å; E408-V411 WeakPolarHBondContact O-CB 3.48Å; E408-V411 PolarHBondContact O-N 3.36Å; V411-K414 WeakPolarHBondContact O-CB 3.42Å; V411-D415 PolarHBondContact O-N 2.62Å; V411-E442 HydrophobicContact CG1-CG 4.32Å; V411-E442 HydrophobicContact CG2-CG 4Å; V411-A443 HydrophobicContact CG2-CB 4.25Å |
| 412 | V | 93.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | V373 R374 L394 E408 A409 I410 K414 D415 I416 | V373-V412 HydrophobicContact CG1-CG2 4.37Å; R374-V412 HydrophobicContact CB-CG2 4.35Å; R374-V412 HydrophobicContact CG-CG2 4.3Å; L394-V412 HydrophobicContact CD1-CB 4.45Å; L394-V412 HydrophobicContact CD1-CG1 3.61Å; L394-V412 HydrophobicContact CD2-CG1 4.27Å; E408-V412 WeakPolarHBondContact O-CG2 3.5Å; E408-V412 PolarHBondContact O-N 2.85Å; A409-V412 PolarHBondContact O-N 3.07Å; I410-V412 VanDerWaalsContact C-N 3.26Å; I410-V412 PolarHBondContact O-N 3.33Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 2.89Å; V412-D415 PolarHBondContact O-N 2.98Å; V412-D415 VanDerWaalsContact O-N 3.1Å; V412-I416 HydrophobicContact CG1-CD1 4.03Å; V412-I416 HydrophobicContact CG1-CG1 4.48Å; V412-I416 WeakPolarHBondContact O-CG1 2.95Å; V412-I416 PolarHBondContact O-N 2.87Å |
| 413 | I | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -36.7 | -179 | -70.6 | 165.9 | 0 | 0 | 0 | 111.2 | L394 I398 A409 I410 D415 I416 F417 I427 L431 | L394-I413 HydrophobicContact CB-CD1 4.28Å; L394-I413 HydrophobicContact CB-CG1 4.43Å; L394-I413 HydrophobicContact CD1-CG1 3.94Å; I398-I413 HydrophobicContact CD1-CD1 3.64Å; A409-I413 WeakPolarHBondContact O-CB 3.49Å; A409-I413 WeakPolarHBondContact O-CG1 3.38Å; A409-I413 PolarHBondContact O-N 2.84Å; I410-I413 PolarHBondContact O-N 2.81Å; I413-D415 VanDerWaalsContact C-N 3.26Å; I413-D415 PolarHBondContact O-N 2.92Å; I413-I416 PolarHBondContact O-N 2.84Å; I413-I416 VanDerWaalsContact O-N 3.16Å; I413-F417 HydrophobicContact CG2-CD1 4.03Å; I413-F417 HydrophobicContact CG2-CD2 4.3Å; I413-F417 HydrophobicContact CG2-CE1 3.69Å; I413-F417 HydrophobicContact CG2-CE2 4Å; I413-F417 HydrophobicContact CG2-CG 4.33Å; I413-F417 HydrophobicContact CG2-CZ 3.69Å; I413-F417 PolarHBondContact O-N 2.89Å; I413-I427 HydrophobicContact CD1-CG2 4.33Å; I413-L431 HydrophobicContact CD1-CD2 3.79Å; I413-L431 HydrophobicContact CG2-CD1 3.92Å |
| 414 | K | 90.8 | Very high | 90.2 | Very high | 31 Ų | 31 | 29 Ų | 29 | 14% | 0.135 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -52.9 | -46.8 | 171 | 172.3 | -155.3 | 66.5 | -159.2 | 0 | 110.8 | I410 V411 V412 F417 R418 S446 W449 I450 | I410-K414 PolarHBondContact O-N 2.79Å; V411-K414 WeakPolarHBondContact O-CB 3.42Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 2.89Å; K414-F417 PolarHBondContact O-N 2.94Å; K414-R418 WeakPolarHBondContact O-CG 3.26Å; K414-R418 PolarHBondContact O-N 2.86Å; K414-S446 PolarHBondContact NZ-OG 2.89Å; K414-W449 HydrophobicContact CG-CD2 4.11Å; K414-W449 HydrophobicContact CG-CE3 3.65Å; K414-W449 HydrophobicContact CG-CZ3 3.99Å; K414-I450 HydrophobicContact CB-CD1 4.13Å; K414-I450 HydrophobicContact CB-CG1 4.25Å |
| 415 | D | 90 | Very high | 89.7 | Confident | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -37 | -180 | -68 | -19.3 | 0 | 0 | 0 | 111.9 | V411 V412 I413 R418 K419 I547 | V411-D415 PolarHBondContact O-N 2.62Å; V412-D415 PolarHBondContact O-N 2.98Å; V412-D415 VanDerWaalsContact O-N 3.1Å; I413-D415 VanDerWaalsContact C-N 3.26Å; I413-D415 PolarHBondContact O-N 2.92Å; D415-R418 WeakPolarHBondContact O-CB 3.46Å; D415-R418 PolarHBondContact O-N 3.5Å; D415-K419 PolarHBondContact O-N 2.97Å; D415-K419 VanDerWaalsContact O-N 3.09Å; D415-I547 HydrophobicContact CB-CD1 3.7Å |
| 416 | I | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 172.5 | -65 | 173.3 | 0 | 0 | 0 | 111.2 | A380 V391 L394 V412 I413 R418 K419 Y420 Y424 | A380-I416 HydrophobicContact CB-CD1 3.92Å; A380-I416 HydrophobicContact CB-CG1 4.13Å; V391-I416 HydrophobicContact CG2-CD1 4.05Å; V391-I416 HydrophobicContact CG2-CG2 3.89Å; L394-I416 HydrophobicContact CD1-CD1 3.6Å; V412-I416 HydrophobicContact CG1-CD1 4.03Å; V412-I416 HydrophobicContact CG1-CG1 4.48Å; V412-I416 WeakPolarHBondContact O-CG1 2.95Å; V412-I416 PolarHBondContact O-N 2.87Å; I413-I416 PolarHBondContact O-N 2.84Å; I413-I416 VanDerWaalsContact O-N 3.16Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.42Å; I416-K419 PolarHBondContact O-N 2.9Å; I416-K419 VanDerWaalsContact O-N 3.11Å; I416-Y420 HydrophobicContact CG2-CD2 4.08Å; I416-Y420 PolarHBondContact O-N 3.43Å; I416-Y424 HydrophobicContact CG2-CD2 4.01Å; I416-Y424 HydrophobicContact CG2-CE2 4.12Å |
| 417 | F | 89.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -33.1 | 176.5 | -76.7 | -0.3 | 0 | 0 | 0 | 112.6 | I413 K414 K419 Y420 P421 Y424 I428 L431 W449 I450 Y454 | I413-F417 HydrophobicContact CG2-CD1 4.03Å; I413-F417 HydrophobicContact CG2-CD2 4.3Å; I413-F417 HydrophobicContact CG2-CE1 3.69Å; I413-F417 HydrophobicContact CG2-CE2 4Å; I413-F417 HydrophobicContact CG2-CG 4.33Å; I413-F417 HydrophobicContact CG2-CZ 3.69Å; I413-F417 PolarHBondContact O-N 2.89Å; K414-F417 PolarHBondContact O-N 2.94Å; F417-K419 VanDerWaalsContact C-N 3.33Å; F417-Y420 CarbonylContact O-C 3.56Å; F417-P421 WeakPolarHBondContact O-CA 3.4Å; F417-Y424 WeakPolarHBondContact CE1-O 3.4Å; F417-I428 HydrophobicContact CE2-CD1 4.32Å; F417-I428 HydrophobicContact CE2-CG1 3.81Å; F417-I428 HydrophobicContact CZ-CG1 3.9Å; F417-L431 HydrophobicContact CE2-CD1 4.47Å; F417-W449 HydrophobicContact CB-CZ3 4.34Å; F417-I450 HydrophobicContact CD2-CD1 4.34Å; F417-I450 HydrophobicContact CD2-CG1 4.1Å; F417-I450 HydrophobicContact CD2-CG2 4.13Å; F417-I450 HydrophobicContact CE2-CD1 4.36Å; F417-I450 HydrophobicContact CE2-CG1 4.4Å; F417-I450 HydrophobicContact CE2-CG2 3.79Å; F417-Y454 HydrophobicContact CB-CE2 4.11Å; F417-Y454 HydrophobicContact CD2-CD2 4.11Å; F417-Y454 AromaticContact CD2-CE2 3.5Å; F417-Y454 HydrophobicContact CD2-CE2 3.5Å; F417-Y454 VanDerWaalsContact CD2-CE2 3.5Å; F417-Y454 HydrophobicContact CE2-CD2 4.41Å; F417-Y454 HydrophobicContact CE2-CE2 4.14Å; F417-Y454 HydrophobicContact CG-CE2 4.02Å |
| 418 | R | 88.1 | Confident | 88.5 | Confident | 81 Ų | 81 | 33.9 Ų | 33.9 | 31% | 0.306 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.1 | -31.1 | 173.3 | -72.7 | -175.4 | 62.8 | -167 | -1.6 | 112.7 | K414 D415 I416 W449 P545 L546 I547 | K414-R418 WeakPolarHBondContact O-CG 3.26Å; K414-R418 PolarHBondContact O-N 2.86Å; D415-R418 WeakPolarHBondContact O-CB 3.46Å; D415-R418 PolarHBondContact O-N 3.5Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.42Å; R418-W449 HydrophobicContact CG-CH2 3.32Å; R418-W449 HydrophobicContact CG-CZ2 3.46Å; R418-W449 VanDerWaalsContact CG-CZ2 3.46Å; R418-W449 HydrophobicContact CG-CZ3 4.22Å; R418-P545 PolarHBondContact NH2-O 2.84Å; R418-L546 WeakPolarHBondContact O-CD2 3.38Å; R418-I547 HydrophobicContact CB-CD1 3.78Å; R418-I547 HydrophobicContact CB-CG1 4.08Å; R418-I547 HydrophobicContact CG-CD1 4.46Å |
| 419 | K | 87.3 | Confident | 88.1 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 18% | 0.183 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.6 | -41.6 | 176.3 | -177.6 | 62.6 | 169.4 | -171.7 | 0 | 112.5 | D415 I416 F417 P421 I547 | D415-K419 PolarHBondContact O-N 2.97Å; D415-K419 VanDerWaalsContact O-N 3.09Å; I416-K419 PolarHBondContact O-N 2.9Å; I416-K419 VanDerWaalsContact O-N 3.11Å; F417-K419 VanDerWaalsContact C-N 3.33Å; K419-P421 VanDerWaalsContact C-CD 3.49Å; K419-P421 WeakPolarHBondContact O-CD 3.44Å; K419-I547 WeakPolarHBondContact CD-O 3.35Å; K419-I547 PolarHBondContact NZ-O 2.68Å |
| 420 | Y | 88.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -122.2 | 72 | -176.5 | -54.9 | -67.7 | 0 | 0 | 0 | 111 | A380 E384 A387 I416 F417 Y424 | A380-Y420 PolarHBondContact O-OH 2.9Å; E384-Y420 WeakPolarHBondContact CA-OH 3.43Å; E384-Y420 HydrophobicContact CB-CE1 4.44Å; E384-Y420 WeakPolarHBondContact CB-OH 3.38Å; E384-Y420 VanDerWaalsContact CG-OH 3.29Å; E384-Y420 WeakPolarHBondContact CG-OH 3.21Å; A387-Y420 HydrophobicContact CB-CD2 4.25Å; A387-Y420 HydrophobicContact CB-CE2 3.69Å; I416-Y420 HydrophobicContact CG2-CD2 4.08Å; I416-Y420 PolarHBondContact O-N 3.43Å; F417-Y420 CarbonylContact O-C 3.56Å; Y420-Y424 AromaticContact CD2-CE2 3.89Å; Y420-Y424 HydrophobicContact CD2-CE2 3.89Å; Y420-Y424 HydrophobicContact CG-CE2 4.01Å |
| 421 | P | 83.7 | Confident | 87.5 | Confident | 71 Ų | 71 | 38.1 Ų | 38.1 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 141.6 | -178.6 | 25.9 | -34.4 | 0 | 0 | 0 | 111.2 | F417 K419 K423 | F417-P421 WeakPolarHBondContact O-CA 3.4Å; K419-P421 VanDerWaalsContact C-CD 3.49Å; K419-P421 WeakPolarHBondContact O-CD 3.44Å; P421-K423 PolarHBondContact O-N 2.87Å; P421-K423 VanDerWaalsContact O-N 3.15Å |
| 422 | N | 81.5 | Confident | 87.2 | Confident | 94 Ų | 94 | 39 Ų | 39 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16 | 176.8 | -53.7 | -61.1 | 0 | 0 | 0 | 116.5 | E425 Y454 R457 | N422-E425 WeakPolarHBondContact CA-OE1 3.46Å; N422-E425 VanDerWaalsContact CB-OE1 3.25Å; N422-E425 WeakPolarHBondContact CB-OE1 2.99Å; N422-E425 PolarHBondContact OD1-OE1 3.4Å; N422-Y454 PolarHBondContact N-OH 3.4Å; N422-R457 PolarHBondContact OD1-NH2 2.78Å; N422-R457 VanDerWaalsContact OD1-NH2 3.08Å |
| 423 | K | 84.4 | Confident | 86.8 | Confident | 106 Ų | 106 | 45.5 Ų | 45.5 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -33.9 | -179.7 | -168.1 | 176.3 | 176.6 | -163.6 | 0 | 113.9 | E388 P421 | E388-K423 WeakPolarHBondContact OE1-CE 3.38Å; E388-K423 IonicContact OE1-NZ 2.76Å; E388-K423 PolarHBondContact OE1-NZ 2.94Å; P421-K423 PolarHBondContact O-N 2.87Å; P421-K423 VanDerWaalsContact O-N 3.15Å |
| 424 | Y | 84.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | trans | -119.5 | 36.5 | -165.3 | -65.5 | -60.1 | 0 | 0 | 0 | 112.5 | A387 E388 V391 I416 F417 Y420 S426 I427 | A387-Y424 VanDerWaalsContact CB-OH 3.31Å; A387-Y424 WeakPolarHBondContact CB-OH 3.3Å; E388-Y424 HydrophobicContact CG-CE1 3.68Å; E388-Y424 PolarHBondContact N-OH 3.47Å; V391-Y424 HydrophobicContact CG1-CD1 4.3Å; V391-Y424 HydrophobicContact CG2-CD1 4.32Å; V391-Y424 HydrophobicContact CG2-CD2 4.39Å; V391-Y424 HydrophobicContact CG2-CE1 4.34Å; V391-Y424 HydrophobicContact CG2-CE2 4.4Å; V391-Y424 HydrophobicContact CG2-CG 4.36Å; I416-Y424 HydrophobicContact CG2-CD2 4.01Å; I416-Y424 HydrophobicContact CG2-CE2 4.12Å; F417-Y424 WeakPolarHBondContact CE1-O 3.4Å; Y420-Y424 AromaticContact CD2-CE2 3.89Å; Y420-Y424 HydrophobicContact CD2-CE2 3.89Å; Y420-Y424 HydrophobicContact CG-CE2 4.01Å; Y424-S426 VanDerWaalsContact C-N 3.3Å; Y424-S426 PolarHBondContact O-N 3.44Å; Y424-I427 HydrophobicContact CD1-CD1 4.23Å; Y424-I427 HydrophobicContact CG-CD1 4.32Å; Y424-I427 VanDerWaalsContact O-CD1 3.3Å; Y424-I427 WeakPolarHBondContact O-CD1 3.36Å; Y424-I427 PolarHBondContact O-N 3.21Å | ||
| 425 | E | 80.4 | Confident | 86 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -69.2 | -27.6 | -170.6 | -59.6 | 173.8 | -178.3 | 0 | 0 | 113.3 | N422 I427 I428 Y454 R457 | N422-E425 WeakPolarHBondContact CA-OE1 3.46Å; N422-E425 VanDerWaalsContact CB-OE1 3.25Å; N422-E425 WeakPolarHBondContact CB-OE1 2.99Å; N422-E425 PolarHBondContact OD1-OE1 3.4Å; E425-I427 PolarHBondContact O-N 2.77Å; E425-I427 VanDerWaalsContact O-N 3.07Å; E425-I428 HydrophobicContact CB-CD1 4.36Å; E425-I428 WeakPolarHBondContact O-CB 3.36Å; E425-I428 WeakPolarHBondContact O-CG1 3.21Å; E425-I428 PolarHBondContact O-N 3.36Å; E425-I428 VanDerWaalsContact O-N 3.11Å; E425-Y454 HydrophobicContact CG-CE1 4.43Å; E425-R457 IonicContact OE1-CZ 3.26Å; E425-R457 IonicContact OE1-NE 3.5Å; E425-R457 PolarHBondContact OE1-NE 2.92Å; E425-R457 VanDerWaalsContact OE1-NE 3.13Å; E425-R457 IonicContact OE1-NH2 3.52Å; E425-R457 PolarHBondContact OE1-NH2 3.31Å; E425-R457 VanDerWaalsContact OE2-CD 3.29Å; E425-R457 WeakPolarHBondContact OE2-CD 3.19Å; E425-R457 IonicContact OE2-CZ 3.15Å; E425-R457 IonicContact OE2-NE 2.76Å; E425-R457 PolarHBondContact OE2-NE 2.87Å; E425-R457 IonicContact OE2-NH2 3.56Å |
| 426 | S | 82.1 | Confident | 85.7 | Confident | 100 Ų | 100 | 51.9 Ų | 51.9 | 70% | 0.699 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.1 | -14.6 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 114 | Y424 S429 | Y424-S426 VanDerWaalsContact C-N 3.3Å; Y424-S426 PolarHBondContact O-N 3.44Å; S426-S429 PolarHBondContact O-OG 2.99Å |
| 427 | I | 86.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -81.5 | -23.1 | 178.6 | -71.1 | 122.3 | 0 | 0 | 0 | 112.2 | V391 L395 I413 Y424 E425 S429 T430 L431 | V391-I427 HydrophobicContact CG1-CD1 3.22Å; V391-I427 HydrophobicContact CG1-CG1 3.96Å; L395-I427 HydrophobicContact CD1-CG1 3.71Å; L395-I427 HydrophobicContact CD2-CB 4.29Å; L395-I427 HydrophobicContact CD2-CG1 3.92Å; L395-I427 HydrophobicContact CD2-CG2 3.72Å; L395-I427 HydrophobicContact CG-CG1 4.05Å; L395-I427 HydrophobicContact CG-CG2 4.5Å; I413-I427 HydrophobicContact CD1-CG2 4.33Å; Y424-I427 HydrophobicContact CD1-CD1 4.23Å; Y424-I427 HydrophobicContact CG-CD1 4.32Å; Y424-I427 VanDerWaalsContact O-CD1 3.3Å; Y424-I427 WeakPolarHBondContact O-CD1 3.36Å; Y424-I427 PolarHBondContact O-N 3.21Å; E425-I427 PolarHBondContact O-N 2.77Å; E425-I427 VanDerWaalsContact O-N 3.07Å; I427-S429 VanDerWaalsContact C-N 3.27Å; I427-S429 PolarHBondContact O-N 3.37Å; I427-T430 PolarHBondContact O-N 3.17Å; I427-T430 VanDerWaalsContact O-N 3.09Å; I427-L431 HydrophobicContact CG2-CD1 4.04Å; I427-L431 HydrophobicContact CG2-CD2 4.21Å; I427-L431 HydrophobicContact CG2-CG 3.86Å; I427-L431 WeakPolarHBondContact O-CG 3.43Å; I427-L431 PolarHBondContact O-N 3.28Å; I427-L431 VanDerWaalsContact O-N 3.08Å |
| 428 | I | 86.7 | Confident | 85.3 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -39 | -171.8 | -63.2 | 170.5 | 0 | 0 | 0 | 111.3 | F417 E425 T430 L431 C432 I450 Y454 I458 | F417-I428 HydrophobicContact CE2-CD1 4.32Å; F417-I428 HydrophobicContact CE2-CG1 3.81Å; F417-I428 HydrophobicContact CZ-CG1 3.9Å; E425-I428 HydrophobicContact CB-CD1 4.36Å; E425-I428 WeakPolarHBondContact O-CB 3.36Å; E425-I428 WeakPolarHBondContact O-CG1 3.21Å; E425-I428 PolarHBondContact O-N 3.36Å; E425-I428 VanDerWaalsContact O-N 3.11Å; I428-T430 PolarHBondContact O-N 2.98Å; I428-L431 WeakPolarHBondContact O-CB 3.4Å; I428-L431 PolarHBondContact O-N 2.96Å; I428-C432 PolarHBondContact O-N 2.85Å; I428-C432 PolarHBondContact O-SG 3.33Å; I428-C432 VanDerWaalsContact O-SG 3.34Å; I428-I450 HydrophobicContact CG1-CG2 4.49Å; I428-Y454 HydrophobicContact CD1-CD1 3.93Å; I428-Y454 HydrophobicContact CD1-CD2 4.06Å; I428-Y454 HydrophobicContact CD1-CG 3.59Å; I428-I458 HydrophobicContact CG2-CD1 3.52Å; I428-I458 HydrophobicContact CG2-CG1 3.57Å |
| 429 | S | 86.6 | Confident | 85.4 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.6 | 53.4 | 0 | 0 | 0 | 0 | 112 | S426 I427 L431 C432 E433 | S426-S429 PolarHBondContact O-OG 2.99Å; I427-S429 VanDerWaalsContact C-N 3.27Å; I427-S429 PolarHBondContact O-N 3.37Å; S429-L431 VanDerWaalsContact C-N 3.28Å; S429-L431 PolarHBondContact O-N 3.48Å; S429-C432 PolarHBondContact O-N 3.2Å; S429-E433 WeakPolarHBondContact O-CG 3.37Å; S429-E433 PolarHBondContact O-N 2.78Å |
| 430 | T | 87.2 | Confident | 85.5 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | L395 I427 I428 N434 | L395-T430 HydrophobicContact CD2-CG2 4.14Å; I427-T430 PolarHBondContact O-N 3.17Å; I427-T430 VanDerWaalsContact O-N 3.09Å; I428-T430 PolarHBondContact O-N 2.98Å; T430-N434 PolarHBondContact O-ND2 3.1Å |
| 431 | L | 88.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 174 | -62.5 | -176.5 | 0 | 0 | 0 | 111.5 | I398 I410 I413 F417 I427 I428 S429 E433 N434 M447 I450 | I398-L431 HydrophobicContact CD1-CD2 3.63Å; I410-L431 HydrophobicContact CG1-CD2 4.13Å; I413-L431 HydrophobicContact CD1-CD2 3.79Å; I413-L431 HydrophobicContact CG2-CD1 3.92Å; F417-L431 HydrophobicContact CE2-CD1 4.47Å; I427-L431 HydrophobicContact CG2-CD1 4.04Å; I427-L431 HydrophobicContact CG2-CD2 4.21Å; I427-L431 HydrophobicContact CG2-CG 3.86Å; I427-L431 WeakPolarHBondContact O-CG 3.43Å; I427-L431 PolarHBondContact O-N 3.28Å; I427-L431 VanDerWaalsContact O-N 3.08Å; I428-L431 WeakPolarHBondContact O-CB 3.4Å; I428-L431 PolarHBondContact O-N 2.96Å; S429-L431 VanDerWaalsContact C-N 3.28Å; S429-L431 PolarHBondContact O-N 3.48Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 PolarHBondContact O-N 3.2Å; L431-N434 PolarHBondContact O-N 3.02Å; L431-N434 VanDerWaalsContact O-N 3.11Å; L431-M447 HydrophobicContact CB-CE 3.85Å; L431-M447 HydrophobicContact CB-SD 4.34Å; L431-I450 HydrophobicContact CD1-CD1 3.97Å |
| 432 | C | 86.5 | Confident | 86.3 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 178.8 | -67.1 | 0 | 0 | 0 | 0 | 113 | I428 S429 N434 L435 L464 | I428-C432 PolarHBondContact O-N 2.85Å; I428-C432 PolarHBondContact O-SG 3.33Å; I428-C432 VanDerWaalsContact O-SG 3.34Å; S429-C432 PolarHBondContact O-N 3.2Å; C432-N434 PolarHBondContact O-N 3.33Å; C432-L435 HydrophobicContact CB-CD1 4.44Å; C432-L435 WeakPolarHBondContact O-CD1 3.46Å; C432-L435 WeakPolarHBondContact O-CG 3.45Å; C432-L464 HydrophobicContact CB-CD1 4.2Å |
| 433 | E | 86.4 | Confident | 86.9 | Confident | 141 Ų | 141 | 52.4 Ų | 52.4 | 66% | 0.659 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.9 | 174.9 | -74.3 | 170.4 | -163 | 0 | 0 | 113.8 | S429 L431 | S429-E433 WeakPolarHBondContact O-CG 3.37Å; S429-E433 PolarHBondContact O-N 2.78Å; L431-E433 VanDerWaalsContact C-N 3.26Å; L431-E433 PolarHBondContact O-N 3.2Å |
| 434 | N | 84.8 | Confident | 87.4 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 18.2 | -175.5 | -67.1 | -81.1 | 0 | 0 | 0 | 113.4 | V406 T430 L431 C432 D436 T437 | V406-N434 HydrophobicContact CG1-CB 4.15Å; T430-N434 PolarHBondContact O-ND2 3.1Å; L431-N434 PolarHBondContact O-N 3.02Å; L431-N434 VanDerWaalsContact O-N 3.11Å; C432-N434 PolarHBondContact O-N 3.33Å; N434-D436 VanDerWaalsContact C-N 3.26Å; N434-D436 PolarHBondContact O-N 3.31Å; N434-T437 PolarHBondContact O-N 3.19Å; N434-T437 PolarHBondContact O-OG1 3.05Å |
| 435 | L | 82.3 | Confident | 87.9 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -58.3 | -34.6 | -178.6 | -70.8 | 171.4 | 0 | 0 | 0 | 113.8 | C432 T437 L438 M447 I451 L464 F468 | C432-L435 HydrophobicContact CB-CD1 4.44Å; C432-L435 WeakPolarHBondContact O-CD1 3.46Å; C432-L435 WeakPolarHBondContact O-CG 3.45Å; L435-T437 PolarHBondContact O-N 2.9Å; L435-L438 HydrophobicContact CD2-CD1 3.95Å; L435-L438 WeakPolarHBondContact O-CB 3.47Å; L435-L438 WeakPolarHBondContact O-CG 3.49Å; L435-L438 PolarHBondContact O-N 2.95Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L435-M447 HydrophobicContact CD2-CE 3.83Å; L435-M447 HydrophobicContact CD2-CG 3.23Å; L435-M447 HydrophobicContact CD2-SD 3.64Å; L435-I451 HydrophobicContact CD2-CD1 4.31Å; L435-L464 HydrophobicContact CD1-CD1 3.89Å; L435-L464 HydrophobicContact CD1-CD2 3.35Å; L435-L464 HydrophobicContact CD1-CG 4.08Å; L435-F468 HydrophobicContact CD2-CE2 4.31Å; L435-F468 HydrophobicContact CD2-CZ 4.22Å |
| 436 | D | 84.2 | Confident | 88.5 | Confident | 165 Ų | 165 | 45.7 Ų | 45.7 | 88% | 0.882 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -63.4 | -15.6 | -178.5 | -58.6 | -26.1 | 0 | 0 | 0 | 113.3 | N434 | N434-D436 VanDerWaalsContact C-N 3.26Å; N434-D436 PolarHBondContact O-N 3.31Å |
| 437 | T | 84.4 | Confident | 89.1 | Confident | 26 Ų | 26 | 41 Ų | 41 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -87.2 | -3.5 | -179 | 68 | 0 | 0 | 0 | 0 | 113.9 | V406 Q407 N434 L435 | V406-T437 WeakPolarHBondContact CG1-OG1 3.46Å; Q407-T437 PolarHBondContact NE2-O 3.37Å; N434-T437 PolarHBondContact O-N 3.19Å; N434-T437 PolarHBondContact O-OG1 3.05Å; L435-T437 PolarHBondContact O-N 2.9Å |
| 438 | L | 86.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | trans | -86.5 | 110.3 | -173.5 | -63.8 | -179.5 | 0 | 0 | 0 | 112.1 | Q407 I410 L435 A443 K444 M447 F468 | Q407-L438 HydrophobicContact CG-CD2 3.76Å; I410-L438 HydrophobicContact CD1-CD2 3.55Å; I410-L438 HydrophobicContact CD1-CG 4.48Å; L435-L438 HydrophobicContact CD2-CD1 3.95Å; L435-L438 WeakPolarHBondContact O-CB 3.47Å; L435-L438 WeakPolarHBondContact O-CG 3.49Å; L435-L438 PolarHBondContact O-N 2.95Å; L435-L438 VanDerWaalsContact O-N 3.16Å; L438-A443 HydrophobicContact CD2-CB 3.9Å; L438-K444 HydrophobicContact CB-CG 3.9Å; L438-K444 WeakPolarHBondContact O-CE 3.45Å; L438-M447 HydrophobicContact CD1-CB 3.7Å; L438-M447 HydrophobicContact CD1-CE 4.28Å; L438-M447 HydrophobicContact CD1-CG 3.8Å; L438-F468 HydrophobicContact CD1-CZ 4.35Å | ||
| 439 | D | 89.6 | Confident | 89.9 | Confident | 102 Ų | 102 | 41.3 Ų | 41.3 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | trans | -113.2 | -35.4 | 171.5 | 57.6 | 16.4 | 0 | 0 | 0 | 112.7 | Q407 | Q407-D439 PolarHBondContact NE2-OD1 3.38Å; Q407-D439 PolarHBondContact OE1-OD1 3.18Å | ||
| 440 | E | 90.8 | Very high | 90.1 | Very high | 59 Ų | 59 | 38 Ų | 38 | 28% | 0.276 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -73.8 | 139.8 | -177.8 | -66.4 | -166.9 | 152.6 | 0 | 0 | 113.5 | R370 E442 A443 K444 | R370-E440 IonicContact CZ-OE1 2.81Å; R370-E440 IonicContact NH1-OE1 3.18Å; R370-E440 VanDerWaalsContact NH2-CD 3.32Å; R370-E440 IonicContact NH2-OE1 2.65Å; R370-E440 PolarHBondContact NH2-OE1 3.03Å; R370-E440 IonicContact NH2-OE2 3.55Å; E440-E442 VanDerWaalsContact C-N 3.29Å; E440-E442 PolarHBondContact O-N 3.34Å; E440-A443 HydrophobicContact CB-CB 4.48Å; E440-A443 PolarHBondContact O-N 2.8Å; E440-K444 WeakPolarHBondContact O-CG 3.17Å; E440-K444 PolarHBondContact O-N 3.14Å |
| 441 | P | 93.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 34% | 0.344 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.6 | -32 | -176.9 | 25.9 | -34.9 | 0 | 0 | 0 | 112.9 | A445 N476 V479 | P441-A445 WeakPolarHBondContact O-CB 3.38Å; P441-A445 PolarHBondContact O-N 3.31Å; P441-N476 HydrophobicContact CB-CB 3.73Å; P441-V479 HydrophobicContact CB-CG2 3.84Å; P441-V479 VanDerWaalsContact O-CG2 3.3Å; P441-V479 WeakPolarHBondContact O-CG2 3.33Å |
| 442 | E | 94.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 36.4 Ų | 36.4 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.1 | -41.5 | 177.9 | -170.8 | 174 | -178.6 | 0 | 0 | 112.1 | V411 E440 S446 | V411-E442 HydrophobicContact CG1-CG 4.32Å; V411-E442 HydrophobicContact CG2-CG 4Å; E440-E442 VanDerWaalsContact C-N 3.29Å; E440-E442 PolarHBondContact O-N 3.34Å; E442-S446 VanDerWaalsContact O-CB 3.27Å; E442-S446 WeakPolarHBondContact O-CB 3.38Å; E442-S446 PolarHBondContact O-N 3.23Å; E442-S446 PolarHBondContact O-OG 3.45Å |
| 443 | A | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q407 V411 L438 E440 S446 M447 | Q407-A443 HydrophobicContact CB-CB 3.67Å; Q407-A443 HydrophobicContact CG-CB 3.89Å; V411-A443 HydrophobicContact CG2-CB 4.25Å; L438-A443 HydrophobicContact CD2-CB 3.9Å; E440-A443 HydrophobicContact CB-CB 4.48Å; E440-A443 PolarHBondContact O-N 2.8Å; A443-S446 PolarHBondContact O-N 2.79Å; A443-M447 WeakPolarHBondContact O-CB 3.33Å; A443-M447 PolarHBondContact O-N 3.26Å |
| 444 | K | 94.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 172.9 | -73.4 | -178.1 | 177.5 | -175.7 | 0 | 111.9 | L438 E440 S446 M447 I448 F468 E475 V479 | L438-K444 HydrophobicContact CB-CG 3.9Å; L438-K444 WeakPolarHBondContact O-CE 3.45Å; E440-K444 WeakPolarHBondContact O-CG 3.17Å; E440-K444 PolarHBondContact O-N 3.14Å; K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.21Å; K444-M447 PolarHBondContact O-N 3.43Å; K444-I448 WeakPolarHBondContact O-CB 3.49Å; K444-I448 WeakPolarHBondContact O-CD1 3.43Å; K444-I448 VanDerWaalsContact O-CG1 3.25Å; K444-I448 WeakPolarHBondContact O-CG1 3.43Å; K444-I448 PolarHBondContact O-N 3.07Å; K444-F468 HydrophobicContact CG-CE1 4.36Å; K444-E475 IonicContact NZ-OE1 2.68Å; K444-E475 PolarHBondContact NZ-OE1 2.97Å; K444-E475 IonicContact NZ-OE2 3.15Å; K444-E475 PolarHBondContact NZ-OE2 3.47Å; K444-V479 HydrophobicContact CB-CG1 4.29Å; K444-V479 HydrophobicContact CB-CG2 4.04Å |
| 445 | A | 95 | Very high | 90.8 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P441 M447 I448 W449 Q478 V479 Q482 | P441-A445 WeakPolarHBondContact O-CB 3.38Å; P441-A445 PolarHBondContact O-N 3.31Å; A445-M447 PolarHBondContact O-N 3.31Å; A445-I448 PolarHBondContact O-N 3.13Å; A445-W449 WeakPolarHBondContact O-CB 3.4Å; A445-W449 PolarHBondContact O-N 3.43Å; A445-Q478 HydrophobicContact CB-CG 4.03Å; A445-V479 HydrophobicContact CB-CG2 4.33Å; A445-Q482 HydrophobicContact CB-CB 4.19Å; A445-Q482 HydrophobicContact CB-CG 4.26Å; A445-Q482 WeakPolarHBondContact O-CG 3.4Å |
| 446 | S | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.5 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | K414 E442 A443 K444 W449 I450 | K414-S446 PolarHBondContact NZ-OG 2.89Å; E442-S446 VanDerWaalsContact O-CB 3.27Å; E442-S446 WeakPolarHBondContact O-CB 3.38Å; E442-S446 PolarHBondContact O-N 3.23Å; E442-S446 PolarHBondContact O-OG 3.45Å; A443-S446 PolarHBondContact O-N 2.79Å; K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.21Å; S446-W449 WeakPolarHBondContact O-CB 3.5Å; S446-W449 PolarHBondContact O-N 3.38Å; S446-I450 WeakPolarHBondContact O-CG1 3.23Å; S446-I450 PolarHBondContact O-N 2.91Å; S446-I450 VanDerWaalsContact O-N 3.1Å |
| 447 | M | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -48.7 | 175.7 | -179.5 | 61.9 | 73.1 | 0 | 0 | 112.5 | I410 L431 L435 L438 A443 K444 A445 W449 I450 I451 | I410-M447 HydrophobicContact CD1-CE 3.48Å; I410-M447 VanDerWaalsContact CD1-CE 3.48Å; I410-M447 HydrophobicContact CG1-CE 3.85Å; I410-M447 HydrophobicContact CG2-CB 4.08Å; I410-M447 HydrophobicContact CG2-CE 3.93Å; L431-M447 HydrophobicContact CB-CE 3.85Å; L431-M447 HydrophobicContact CB-SD 4.34Å; L435-M447 HydrophobicContact CD2-CE 3.83Å; L435-M447 HydrophobicContact CD2-CG 3.23Å; L435-M447 HydrophobicContact CD2-SD 3.64Å; L438-M447 HydrophobicContact CD1-CB 3.7Å; L438-M447 HydrophobicContact CD1-CE 4.28Å; L438-M447 HydrophobicContact CD1-CG 3.8Å; A443-M447 WeakPolarHBondContact O-CB 3.33Å; A443-M447 PolarHBondContact O-N 3.26Å; K444-M447 PolarHBondContact O-N 3.43Å; A445-M447 PolarHBondContact O-N 3.31Å; M447-W449 PolarHBondContact O-N 2.93Å; M447-I450 WeakPolarHBondContact O-CA 3.49Å; M447-I450 WeakPolarHBondContact O-CB 3.32Å; M447-I450 PolarHBondContact O-N 3.49Å; M447-I451 HydrophobicContact CG-CD1 3.95Å; M447-I451 HydrophobicContact CG-CG1 4.47Å; M447-I451 WeakPolarHBondContact O-CG1 3.44Å; M447-I451 PolarHBondContact O-N 3.43Å; M447-I451 HydrophobicContact SD-CD1 4.31Å; M447-I451 HydrophobicContact SD-CG1 4.36Å |
| 448 | I | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -38.2 | 177.6 | -70.1 | 165.9 | 0 | 0 | 0 | 110.7 | K444 A445 I451 G452 L465 F468 V479 Q482 L483 A486 | K444-I448 WeakPolarHBondContact O-CB 3.49Å; K444-I448 WeakPolarHBondContact O-CD1 3.43Å; K444-I448 VanDerWaalsContact O-CG1 3.25Å; K444-I448 WeakPolarHBondContact O-CG1 3.43Å; K444-I448 PolarHBondContact O-N 3.07Å; A445-I448 PolarHBondContact O-N 3.13Å; I448-I451 PolarHBondContact O-N 2.96Å; I448-G452 PolarHBondContact O-N 3.26Å; I448-L465 HydrophobicContact CG2-CD2 4.09Å; I448-F468 HydrophobicContact CD1-CB 4.3Å; I448-F468 HydrophobicContact CD1-CD1 3.93Å; I448-F468 HydrophobicContact CD1-CD2 4.33Å; I448-F468 HydrophobicContact CD1-CE1 4.33Å; I448-F468 HydrophobicContact CD1-CG 3.94Å; I448-F468 HydrophobicContact CG1-CD1 4.3Å; I448-F468 HydrophobicContact CG1-CD2 3.92Å; I448-F468 HydrophobicContact CG1-CE1 4.43Å; I448-F468 HydrophobicContact CG1-CE2 4.08Å; I448-F468 HydrophobicContact CG1-CG 4.05Å; I448-F468 HydrophobicContact CG1-CZ 4.33Å; I448-V479 HydrophobicContact CD1-CG1 3.57Å; I448-Q482 HydrophobicContact CB-CG 4.25Å; I448-Q482 HydrophobicContact CG2-CB 4.38Å; I448-Q482 HydrophobicContact CG2-CG 4.04Å; I448-L483 HydrophobicContact CD1-CB 4.35Å; I448-L483 HydrophobicContact CG2-CB 4.12Å; I448-L483 HydrophobicContact CG2-CD1 4.12Å; I448-A486 HydrophobicContact CG2-CB 3.59Å; I448-A486 WeakPolarHBondContact O-CB 3.12Å |
| 449 | W | 94 | Very high | 90.7 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 172.5 | -176.9 | 100.7 | 0 | 0 | 0 | 111.9 | K414 F417 R418 A445 S446 M447 G452 E453 Q482 K544 | K414-W449 HydrophobicContact CG-CD2 4.11Å; K414-W449 HydrophobicContact CG-CE3 3.65Å; K414-W449 HydrophobicContact CG-CZ3 3.99Å; F417-W449 HydrophobicContact CB-CZ3 4.34Å; R418-W449 HydrophobicContact CG-CH2 3.32Å; R418-W449 HydrophobicContact CG-CZ2 3.46Å; R418-W449 VanDerWaalsContact CG-CZ2 3.46Å; R418-W449 HydrophobicContact CG-CZ3 4.22Å; A445-W449 WeakPolarHBondContact O-CB 3.4Å; A445-W449 PolarHBondContact O-N 3.43Å; S446-W449 WeakPolarHBondContact O-CB 3.5Å; S446-W449 PolarHBondContact O-N 3.38Å; M447-W449 PolarHBondContact O-N 2.93Å; W449-G452 PolarHBondContact O-N 3.46Å; W449-E453 HydrophobicContact CE3-CB 4.35Å; W449-E453 HydrophobicContact CH2-CB 4.42Å; W449-E453 HydrophobicContact CH2-CG 4.15Å; W449-E453 HydrophobicContact CZ2-CG 4.4Å; W449-E453 HydrophobicContact CZ3-CB 4.29Å; W449-E453 HydrophobicContact CZ3-CG 4.46Å; W449-E453 VanDerWaalsContact O-CB 3.25Å; W449-E453 WeakPolarHBondContact O-CB 3.31Å; W449-E453 PolarHBondContact O-N 3.38Å; W449-Q482 HydrophobicContact CB-CG 3.91Å; W449-K544 HydrophobicContact CZ2-CD 3.94Å; W449-K544 VanDerWaalsContact NE1-NZ 3.12Å |
| 450 | I | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 178.6 | -68.1 | 169.8 | 0 | 0 | 0 | 110 | K414 F417 I428 L431 S446 M447 G452 E453 Y454 | K414-I450 HydrophobicContact CB-CD1 4.13Å; K414-I450 HydrophobicContact CB-CG1 4.25Å; F417-I450 HydrophobicContact CD2-CD1 4.34Å; F417-I450 HydrophobicContact CD2-CG1 4.1Å; F417-I450 HydrophobicContact CD2-CG2 4.13Å; F417-I450 HydrophobicContact CE2-CD1 4.36Å; F417-I450 HydrophobicContact CE2-CG1 4.4Å; F417-I450 HydrophobicContact CE2-CG2 3.79Å; I428-I450 HydrophobicContact CG1-CG2 4.49Å; L431-I450 HydrophobicContact CD1-CD1 3.97Å; S446-I450 WeakPolarHBondContact O-CG1 3.23Å; S446-I450 PolarHBondContact O-N 2.91Å; S446-I450 VanDerWaalsContact O-N 3.1Å; M447-I450 WeakPolarHBondContact O-CA 3.49Å; M447-I450 WeakPolarHBondContact O-CB 3.32Å; M447-I450 PolarHBondContact O-N 3.49Å; I450-G452 PolarHBondContact O-N 3.3Å; I450-E453 PolarHBondContact O-N 3.43Å; I450-Y454 HydrophobicContact CG2-CD2 4.29Å; I450-Y454 PolarHBondContact O-N 3.4Å |
| 451 | I | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 179.6 | -63.5 | 166.9 | 0 | 0 | 0 | 110.4 | L435 M447 I448 E453 Y454 A455 I458 A461 L464 L465 F468 | L435-I451 HydrophobicContact CD2-CD1 4.31Å; M447-I451 HydrophobicContact CG-CD1 3.95Å; M447-I451 HydrophobicContact CG-CG1 4.47Å; M447-I451 WeakPolarHBondContact O-CG1 3.44Å; M447-I451 PolarHBondContact O-N 3.43Å; M447-I451 HydrophobicContact SD-CD1 4.31Å; M447-I451 HydrophobicContact SD-CG1 4.36Å; I448-I451 PolarHBondContact O-N 2.96Å; I451-E453 PolarHBondContact O-N 3.21Å; I451-Y454 CarbonylContact O-C 3.56Å; I451-Y454 PolarHBondContact O-N 3.1Å; I451-A455 VanDerWaalsContact O-CA 3.23Å; I451-A455 WeakPolarHBondContact O-CA 3.35Å; I451-A455 WeakPolarHBondContact O-CB 3.34Å; I451-A455 PolarHBondContact O-N 2.72Å; I451-I458 HydrophobicContact CB-CD1 4.24Å; I451-I458 HydrophobicContact CG1-CD1 4.21Å; I451-I458 HydrophobicContact CG2-CD1 4.18Å; I451-A461 HydrophobicContact CG2-CB 4.09Å; I451-L464 HydrophobicContact CD1-CB 4.19Å; I451-L464 HydrophobicContact CD1-CD1 4.16Å; I451-L465 HydrophobicContact CB-CD2 4.23Å; I451-L465 HydrophobicContact CG2-CD1 4.33Å; I451-L465 HydrophobicContact CG2-CD2 3.87Å; I451-L465 HydrophobicContact CG2-CG 3.86Å; I451-F468 HydrophobicContact CD1-CE2 4.34Å |
| 452 | G | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -35.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I448 W449 I450 | I448-G452 PolarHBondContact O-N 3.26Å; W449-G452 PolarHBondContact O-N 3.46Å; I450-G452 PolarHBondContact O-N 3.3Å |
| 453 | E | 89.1 | Confident | 90 | Very high | 47 Ų | 47 | 34.1 Ų | 34.1 | 22% | 0.22 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | 178.2 | -165.2 | 74.8 | 159.8 | 0 | 0 | 111.8 | W449 I450 I451 K489 K493 K544 | W449-E453 HydrophobicContact CE3-CB 4.35Å; W449-E453 HydrophobicContact CH2-CB 4.42Å; W449-E453 HydrophobicContact CH2-CG 4.15Å; W449-E453 HydrophobicContact CZ2-CG 4.4Å; W449-E453 HydrophobicContact CZ3-CB 4.29Å; W449-E453 HydrophobicContact CZ3-CG 4.46Å; W449-E453 VanDerWaalsContact O-CB 3.25Å; W449-E453 WeakPolarHBondContact O-CB 3.31Å; W449-E453 PolarHBondContact O-N 3.38Å; I450-E453 PolarHBondContact O-N 3.43Å; I451-E453 PolarHBondContact O-N 3.21Å; E453-K489 IonicContact OE2-NZ 3.19Å; E453-K489 PolarHBondContact OE2-NZ 3.26Å; E453-K493 PolarHBondContact O-NZ 2.8Å; E453-K544 IonicContact OE1-NZ 3.93Å; E453-K544 PolarHBondContact OE1-NZ 2.86Å; E453-K544 IonicContact OE2-NZ 3.97Å; E453-K544 PolarHBondContact OE2-NZ 2.9Å |
| 454 | Y | 88.3 | Confident | 89.8 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -102.9 | 19.5 | -176.1 | -66.1 | -83.3 | 0 | 0 | 0 | 113.6 | F417 N422 E425 I428 I450 I451 E456 R457 I458 | F417-Y454 HydrophobicContact CB-CE2 4.11Å; F417-Y454 HydrophobicContact CD2-CD2 4.11Å; F417-Y454 AromaticContact CD2-CE2 3.5Å; F417-Y454 HydrophobicContact CD2-CE2 3.5Å; F417-Y454 VanDerWaalsContact CD2-CE2 3.5Å; F417-Y454 HydrophobicContact CE2-CD2 4.41Å; F417-Y454 HydrophobicContact CE2-CE2 4.14Å; F417-Y454 HydrophobicContact CG-CE2 4.02Å; N422-Y454 PolarHBondContact N-OH 3.4Å; E425-Y454 HydrophobicContact CG-CE1 4.43Å; I428-Y454 HydrophobicContact CD1-CD1 3.93Å; I428-Y454 HydrophobicContact CD1-CD2 4.06Å; I428-Y454 HydrophobicContact CD1-CG 3.59Å; I450-Y454 HydrophobicContact CG2-CD2 4.29Å; I450-Y454 PolarHBondContact O-N 3.4Å; I451-Y454 CarbonylContact O-C 3.56Å; I451-Y454 PolarHBondContact O-N 3.1Å; Y454-E456 PolarHBondContact O-N 3.33Å; Y454-R457 PolarHBondContact O-N 3.39Å; Y454-I458 PolarHBondContact O-N 2.95Å |
| 455 | A | 86.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -27 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I451 R457 A461 L490 K493 R494 | I451-A455 VanDerWaalsContact O-CA 3.23Å; I451-A455 WeakPolarHBondContact O-CA 3.35Å; I451-A455 WeakPolarHBondContact O-CB 3.34Å; I451-A455 PolarHBondContact O-N 2.72Å; A455-R457 PolarHBondContact O-N 2.99Å; A455-A461 HydrophobicContact CB-CB 4.37Å; A455-L490 HydrophobicContact CB-CB 4.42Å; A455-L490 HydrophobicContact CB-CD1 3.73Å; A455-K493 HydrophobicContact CB-CD 4.23Å; A455-R494 PolarHBondContact O-NE 2.82Å; A455-R494 PolarHBondContact O-NH2 3.34Å |
| 456 | E | 84.4 | Confident | 89.5 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 46% | 0.458 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26 | 175.8 | -84.8 | 162.1 | -169.6 | 0 | 0 | 113.3 | Y454 K493 R494 | Y454-E456 PolarHBondContact O-N 3.33Å; E456-K493 HydrophobicContact CG-CB 4.15Å; E456-K493 HydrophobicContact CG-CD 4.01Å; E456-K493 HydrophobicContact CG-CG 4.27Å; E456-R494 PolarHBondContact O-NH2 3.29Å |
| 457 | R | 83.4 | Confident | 89.3 | Confident | 106 Ų | 106 | 38.6 Ų | 38.6 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -11.9 | -173.5 | -66.7 | 165.8 | 173.4 | 91.7 | -22.1 | 113.6 | N422 E425 Y454 A455 | N422-R457 PolarHBondContact OD1-NH2 2.78Å; N422-R457 VanDerWaalsContact OD1-NH2 3.08Å; E425-R457 IonicContact OE1-CZ 3.26Å; E425-R457 IonicContact OE1-NE 3.5Å; E425-R457 PolarHBondContact OE1-NE 2.92Å; E425-R457 VanDerWaalsContact OE1-NE 3.13Å; E425-R457 IonicContact OE1-NH2 3.52Å; E425-R457 PolarHBondContact OE1-NH2 3.31Å; E425-R457 VanDerWaalsContact OE2-CD 3.29Å; E425-R457 WeakPolarHBondContact OE2-CD 3.19Å; E425-R457 IonicContact OE2-CZ 3.15Å; E425-R457 IonicContact OE2-NE 2.76Å; E425-R457 PolarHBondContact OE2-NE 2.87Å; E425-R457 IonicContact OE2-NH2 3.56Å; Y454-R457 PolarHBondContact O-N 3.39Å; A455-R457 PolarHBondContact O-N 2.99Å |
| 458 | I | 85.3 | Confident | 89.2 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | trans | -99.6 | 108.8 | 177.4 | -57.2 | 169.6 | 0 | 0 | 0 | 106.3 | I428 I451 Y454 N460 A461 L464 R494 | I428-I458 HydrophobicContact CG2-CD1 3.52Å; I428-I458 HydrophobicContact CG2-CG1 3.57Å; I451-I458 HydrophobicContact CB-CD1 4.24Å; I451-I458 HydrophobicContact CG1-CD1 4.21Å; I451-I458 HydrophobicContact CG2-CD1 4.18Å; Y454-I458 PolarHBondContact O-N 2.95Å; I458-N460 WeakPolarHBondContact CG2-OD1 3.37Å; I458-N460 PolarHBondContact O-N 3.04Å; I458-A461 HydrophobicContact CB-CB 3.97Å; I458-A461 HydrophobicContact CG2-CB 3.95Å; I458-A461 WeakPolarHBondContact O-CB 3.41Å; I458-A461 PolarHBondContact O-N 3.08Å; I458-L464 HydrophobicContact CG2-CD1 4.1Å; I458-R494 PolarHBondContact O-NH1 3.2Å; I458-R494 PolarHBondContact O-NH2 2.55Å | ||
| 459 | D | 84.6 | Confident | 89.1 | Confident | 134 Ų | 134 | 39.7 Ų | 39.7 | 72% | 0.717 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -43 | -174.5 | -69.7 | -25.5 | 0 | 0 | 0 | 111.7 | A461 R494 | D459-A461 VanDerWaalsContact C-N 3.34Å; D459-A461 PolarHBondContact O-N 2.83Å; D459-R494 PolarHBondContact O-NH1 3.03Å; D459-R494 IonicContact OD1-NH2 3.75Å |
| 460 | N | 86.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 25.7 | 178.7 | 66.1 | -30.5 | 0 | 0 | 0 | 114.2 | I458 D462 E463 L464 | I458-N460 WeakPolarHBondContact CG2-OD1 3.37Å; I458-N460 PolarHBondContact O-N 3.04Å; N460-D462 VanDerWaalsContact C-OD1 3.25Å; N460-D462 PolarHBondContact O-N 2.75Å; N460-E463 HydrophobicContact CB-CB 4.44Å; N460-E463 PolarHBondContact O-N 2.78Å; N460-L464 VanDerWaalsContact O-CG 3.32Å; N460-L464 WeakPolarHBondContact O-CG 3.41Å; N460-L464 PolarHBondContact O-N 2.98Å |
| 461 | A | 87.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -34.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I451 A455 I458 D459 L465 L490 | I451-A461 HydrophobicContact CG2-CB 4.09Å; A455-A461 HydrophobicContact CB-CB 4.37Å; I458-A461 HydrophobicContact CB-CB 3.97Å; I458-A461 HydrophobicContact CG2-CB 3.95Å; I458-A461 WeakPolarHBondContact O-CB 3.41Å; I458-A461 PolarHBondContact O-N 3.08Å; D459-A461 VanDerWaalsContact C-N 3.34Å; D459-A461 PolarHBondContact O-N 2.83Å; A461-L465 WeakPolarHBondContact O-CB 3.39Å; A461-L465 VanDerWaalsContact O-CG 3.3Å; A461-L465 WeakPolarHBondContact O-CG 3.38Å; A461-L465 PolarHBondContact O-N 2.86Å; A461-L490 HydrophobicContact CB-CD1 4Å |
| 462 | D | 89.1 | Confident | 88.7 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -51.8 | 174.2 | 52.9 | -17.4 | 0 | 0 | 0 | 112 | N460 L464 L465 D466 L490 L501 | N460-D462 VanDerWaalsContact C-OD1 3.25Å; N460-D462 PolarHBondContact O-N 2.75Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 2.8Å; D462-L465 PolarHBondContact O-N 3.22Å; D462-D466 WeakPolarHBondContact O-CB 3.06Å; D462-D466 PolarHBondContact O-N 3.14Å; D462-L490 HydrophobicContact CB-CD2 4.04Å; D462-L501 HydrophobicContact CB-CD1 3.94Å |
| 463 | E | 89.7 | Confident | 88.6 | Confident | 135 Ų | 135 | 49.8 Ų | 49.8 | 63% | 0.631 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 177.3 | -62.6 | 179.8 | 177.6 | 0 | 0 | 111.4 | N460 D466 S467 | N460-E463 HydrophobicContact CB-CB 4.44Å; N460-E463 PolarHBondContact O-N 2.78Å; E463-D466 PolarHBondContact O-N 2.78Å; E463-S467 PolarHBondContact O-N 2.9Å |
| 464 | L | 89.6 | Confident | 88.6 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -47.7 | 178.9 | -64.9 | -179.2 | 0 | 0 | 0 | 111.6 | C432 L435 I451 I458 N460 D462 S467 F468 | C432-L464 HydrophobicContact CB-CD1 4.2Å; L435-L464 HydrophobicContact CD1-CD1 3.89Å; L435-L464 HydrophobicContact CD1-CD2 3.35Å; L435-L464 HydrophobicContact CD1-CG 4.08Å; I451-L464 HydrophobicContact CD1-CB 4.19Å; I451-L464 HydrophobicContact CD1-CD1 4.16Å; I458-L464 HydrophobicContact CG2-CD1 4.1Å; N460-L464 VanDerWaalsContact O-CG 3.32Å; N460-L464 WeakPolarHBondContact O-CG 3.41Å; N460-L464 PolarHBondContact O-N 2.98Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 2.8Å; L464-S467 PolarHBondContact O-N 2.88Å; L464-S467 PolarHBondContact O-OG 3.01Å; L464-F468 VanDerWaalsContact O-CD2 3.23Å; L464-F468 WeakPolarHBondContact O-CD2 3.45Å; L464-F468 PolarHBondContact O-N 2.68Å |
| 465 | L | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.3 | -33.2 | 179 | -68.3 | -176.9 | 0 | 0 | 0 | 112.7 | I448 I451 A461 D462 S467 F468 L469 L483 A486 I487 L490 | I448-L465 HydrophobicContact CG2-CD2 4.09Å; I451-L465 HydrophobicContact CB-CD2 4.23Å; I451-L465 HydrophobicContact CG2-CD1 4.33Å; I451-L465 HydrophobicContact CG2-CD2 3.87Å; I451-L465 HydrophobicContact CG2-CG 3.86Å; A461-L465 WeakPolarHBondContact O-CB 3.39Å; A461-L465 VanDerWaalsContact O-CG 3.3Å; A461-L465 WeakPolarHBondContact O-CG 3.38Å; A461-L465 PolarHBondContact O-N 2.86Å; D462-L465 PolarHBondContact O-N 3.22Å; L465-S467 VanDerWaalsContact C-N 3.32Å; L465-F468 PolarHBondContact O-N 3.14Å; L465-L469 WeakPolarHBondContact O-CB 3.19Å; L465-L469 PolarHBondContact O-N 2.93Å; L465-L483 HydrophobicContact CB-CD1 4.33Å; L465-L483 HydrophobicContact CD2-CD1 3.91Å; L465-A486 HydrophobicContact CD1-CB 4.05Å; L465-A486 HydrophobicContact CD2-CB 4.05Å; L465-I487 HydrophobicContact CB-CG1 4.05Å; L465-I487 HydrophobicContact CD1-CG1 3.94Å; L465-L490 HydrophobicContact CD1-CB 4.15Å; L465-L490 HydrophobicContact CD1-CD2 3.84Å |
| 466 | D | 92.1 | Very high | 89.1 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 175 | -163 | 34.4 | 0 | 0 | 0 | 111.3 | D462 E463 F468 L469 E470 L501 R504 | D462-D466 WeakPolarHBondContact O-CB 3.06Å; D462-D466 PolarHBondContact O-N 3.14Å; E463-D466 PolarHBondContact O-N 2.78Å; D466-F468 VanDerWaalsContact C-N 3.29Å; D466-F468 PolarHBondContact O-N 3.15Å; D466-L469 CarbonylContact O-C 3.48Å; D466-L469 WeakPolarHBondContact O-CA 3.45Å; D466-L469 VanDerWaalsContact O-CB 3.32Å; D466-L469 WeakPolarHBondContact O-CB 3.44Å; D466-L469 PolarHBondContact O-N 2.98Å; D466-E470 PolarHBondContact O-N 3.13Å; D466-L501 HydrophobicContact CB-CD2 3.54Å; D466-L501 VanDerWaalsContact CG-CD2 3.41Å; D466-L501 WeakPolarHBondContact OD1-CD2 3.09Å; D466-R504 IonicContact OD1-NH1 2.78Å; D466-R504 PolarHBondContact OD1-NH1 3.41Å |
| 467 | S | 90.1 | Very high | 89.5 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59 | -39 | 175.7 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | E463 L464 L465 L469 | E463-S467 PolarHBondContact O-N 2.9Å; L464-S467 PolarHBondContact O-N 2.88Å; L464-S467 PolarHBondContact O-OG 3.01Å; L465-S467 VanDerWaalsContact C-N 3.32Å; S467-L469 VanDerWaalsContact C-N 3.34Å |
| 468 | F | 91.4 | Very high | 90 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.5 | -30 | 172.3 | -73.6 | -72.5 | 0 | 0 | 0 | 112.4 | L435 L438 K444 I448 I451 L464 L465 D466 G471 L483 | L435-F468 HydrophobicContact CD2-CE2 4.31Å; L435-F468 HydrophobicContact CD2-CZ 4.22Å; L438-F468 HydrophobicContact CD1-CZ 4.35Å; K444-F468 HydrophobicContact CG-CE1 4.36Å; I448-F468 HydrophobicContact CD1-CB 4.3Å; I448-F468 HydrophobicContact CD1-CD1 3.93Å; I448-F468 HydrophobicContact CD1-CD2 4.33Å; I448-F468 HydrophobicContact CD1-CE1 4.33Å; I448-F468 HydrophobicContact CD1-CG 3.94Å; I448-F468 HydrophobicContact CG1-CD1 4.3Å; I448-F468 HydrophobicContact CG1-CD2 3.92Å; I448-F468 HydrophobicContact CG1-CE1 4.43Å; I448-F468 HydrophobicContact CG1-CE2 4.08Å; I448-F468 HydrophobicContact CG1-CG 4.05Å; I448-F468 HydrophobicContact CG1-CZ 4.33Å; I451-F468 HydrophobicContact CD1-CE2 4.34Å; L464-F468 VanDerWaalsContact O-CD2 3.23Å; L464-F468 WeakPolarHBondContact O-CD2 3.45Å; L464-F468 PolarHBondContact O-N 2.68Å; L465-F468 PolarHBondContact O-N 3.14Å; D466-F468 VanDerWaalsContact C-N 3.29Å; D466-F468 PolarHBondContact O-N 3.15Å; F468-G471 PolarHBondContact O-N 3.32Å; F468-L483 HydrophobicContact CB-CD1 4Å; F468-L483 HydrophobicContact CB-CD2 3.85Å |
| 469 | L | 92.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.8 | -29.6 | -179.7 | -171.4 | 65.5 | 0 | 0 | 0 | 112.7 | L465 D466 S467 G471 F472 L483 I487 L501 R504 V505 L508 | L465-L469 WeakPolarHBondContact O-CB 3.19Å; L465-L469 PolarHBondContact O-N 2.93Å; D466-L469 CarbonylContact O-C 3.48Å; D466-L469 WeakPolarHBondContact O-CA 3.45Å; D466-L469 VanDerWaalsContact O-CB 3.32Å; D466-L469 WeakPolarHBondContact O-CB 3.44Å; D466-L469 PolarHBondContact O-N 2.98Å; S467-L469 VanDerWaalsContact C-N 3.34Å; L469-G471 PolarHBondContact O-N 2.92Å; L469-F472 HydrophobicContact CD1-CB 4.15Å; L469-F472 HydrophobicContact CD1-CD2 3.86Å; L469-F472 HydrophobicContact CD1-CG 4.22Å; L469-F472 WeakPolarHBondContact O-CB 3.32Å; L469-F472 PolarHBondContact O-N 3.03Å; L469-F472 VanDerWaalsContact O-N 3.12Å; L469-L483 HydrophobicContact CB-CD2 4.43Å; L469-L483 HydrophobicContact CD1-CD2 4.36Å; L469-I487 HydrophobicContact CB-CD1 4.39Å; L469-I487 HydrophobicContact CD1-CD1 3.96Å; L469-I487 HydrophobicContact CD2-CD1 4.01Å; L469-I487 HydrophobicContact CG-CD1 4.36Å; L469-L501 HydrophobicContact CD2-CD2 4.2Å; L469-R504 HydrophobicContact CD2-CB 4.07Å; L469-R504 HydrophobicContact CD2-CG 3.9Å; L469-R504 HydrophobicContact CG-CG 4.47Å; L469-V505 HydrophobicContact CD1-CB 3.72Å; L469-V505 HydrophobicContact CD1-CG2 3.68Å; L469-V505 HydrophobicContact CD2-CB 4.42Å; L469-L508 HydrophobicContact CD1-CD1 3.77Å; L469-L508 HydrophobicContact CG-CD1 4.21Å |
| 470 | E | 90.8 | Very high | 90.9 | Very high | 141 Ų | 141 | 51.7 Ų | 51.7 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.3 | -38 | 173.8 | -69.2 | -172.9 | 164 | 0 | 0 | 112.3 | D466 | D466-E470 PolarHBondContact O-N 3.13Å |
| 471 | G | 88.5 | Confident | 91.3 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 9.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F468 L469 G473 D474 E475 | F468-G471 PolarHBondContact O-N 3.32Å; L469-G471 PolarHBondContact O-N 2.92Å; G471-G473 VanDerWaalsContact C-N 3.28Å; G471-G473 PolarHBondContact O-N 3.46Å; G471-G473 VanDerWaalsContact O-N 3.08Å; G471-D474 PolarHBondContact O-N 3.3Å; G471-E475 WeakPolarHBondContact O-CG 3.18Å; G471-E475 PolarHBondContact O-N 3.44Å |
| 472 | F | 90.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40.9 | -167.5 | -175.9 | -91.8 | 0 | 0 | 0 | 114.7 | L469 D474 E475 Q480 L483 V505 L508 A509 L518 | L469-F472 HydrophobicContact CD1-CB 4.15Å; L469-F472 HydrophobicContact CD1-CD2 3.86Å; L469-F472 HydrophobicContact CD1-CG 4.22Å; L469-F472 WeakPolarHBondContact O-CB 3.32Å; L469-F472 PolarHBondContact O-N 3.03Å; L469-F472 VanDerWaalsContact O-N 3.12Å; F472-D474 VanDerWaalsContact C-N 3.32Å; F472-D474 PolarHBondContact O-N 3.15Å; F472-E475 PolarHBondContact O-N 2.85Å; F472-Q480 HydrophobicContact CD1-CG 4.5Å; F472-Q480 HydrophobicContact CD2-CB 4.48Å; F472-Q480 HydrophobicContact CD2-CG 4.31Å; F472-Q480 HydrophobicContact CE1-CB 4.49Å; F472-Q480 HydrophobicContact CE1-CG 4.3Å; F472-Q480 HydrophobicContact CE2-CB 3.82Å; F472-Q480 HydrophobicContact CE2-CG 4.09Å; F472-Q480 HydrophobicContact CZ-CB 3.85Å; F472-Q480 HydrophobicContact CZ-CG 4.1Å; F472-Q480 WeakPolarHBondContact O-CG 3.25Å; F472-Q480 PolarHBondContact O-NE2 2.69Å; F472-L483 HydrophobicContact CD2-CD2 3.83Å; F472-L483 HydrophobicContact CD2-CG 4.47Å; F472-L483 HydrophobicContact CE2-CD2 4.49Å; F472-V505 HydrophobicContact CD2-CG2 4.39Å; F472-V505 HydrophobicContact CE2-CG2 3.91Å; F472-V505 HydrophobicContact CZ-CG2 4.45Å; F472-L508 HydrophobicContact CB-CD1 4.08Å; F472-L508 HydrophobicContact CD1-CB 3.77Å; F472-L508 HydrophobicContact CD1-CD1 4.2Å; F472-L508 HydrophobicContact CD1-CG 4.43Å; F472-L508 HydrophobicContact CE1-CB 3.82Å; F472-L508 HydrophobicContact CG-CB 4.46Å; F472-L508 HydrophobicContact CG-CD1 4.17Å; F472-A509 HydrophobicContact CZ-CB 4.39Å; F472-L518 HydrophobicContact CE1-CD2 4.03Å; F472-L518 HydrophobicContact CZ-CD1 4.23Å; F472-L518 HydrophobicContact CZ-CD2 3.78Å; F472-L518 HydrophobicContact CZ-CG 4.43Å |
| 473 | G | 88.3 | Confident | 91.9 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G471 | G471-G473 VanDerWaalsContact C-N 3.28Å; G471-G473 PolarHBondContact O-N 3.46Å; G471-G473 VanDerWaalsContact O-N 3.08Å |
| 474 | D | 89.9 | Confident | 92.2 | Very high | 161 Ų | 161 | 42.9 Ų | 42.9 | 86% | 0.861 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12.9 | -177.6 | -64.3 | -36.9 | 0 | 0 | 0 | 112.7 | G471 F472 | G471-D474 PolarHBondContact O-N 3.3Å; F472-D474 VanDerWaalsContact C-N 3.32Å; F472-D474 PolarHBondContact O-N 3.15Å |
| 475 | E | 91.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -77 | 154.5 | -179.1 | -72.9 | -65.8 | 168.4 | 0 | 0 | 113.2 | K444 G471 F472 V479 Q480 | K444-E475 IonicContact NZ-OE1 2.68Å; K444-E475 PolarHBondContact NZ-OE1 2.97Å; K444-E475 IonicContact NZ-OE2 3.15Å; K444-E475 PolarHBondContact NZ-OE2 3.47Å; G471-E475 WeakPolarHBondContact O-CG 3.18Å; G471-E475 PolarHBondContact O-N 3.44Å; F472-E475 PolarHBondContact O-N 2.85Å; E475-V479 HydrophobicContact CB-CB 4.16Å; E475-V479 HydrophobicContact CB-CG1 4.03Å; E475-V479 HydrophobicContact CG-CG1 4.1Å; E475-Q480 HydrophobicContact CB-CG 4.24Å; E475-Q480 PolarHBondContact O-NE2 3.36Å |
| 476 | N | 93.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | trans | -63.8 | 147.3 | 176.6 | -172 | -68.2 | 0 | 0 | 0 | 111.4 | P441 Q478 V479 Q480 | P441-N476 HydrophobicContact CB-CB 3.73Å; N476-Q478 PolarHBondContact O-N 3.36Å; N476-Q478 VanDerWaalsContact O-N 3.07Å; N476-Q478 PolarHBondContact OD1-N 2.72Å; N476-V479 HydrophobicContact CB-CG2 4.26Å; N476-V479 WeakPolarHBondContact O-CA 3.37Å; N476-V479 WeakPolarHBondContact O-CB 3.44Å; N476-V479 PolarHBondContact O-N 3.45Å; N476-Q480 PolarHBondContact O-N 3.46Å | ||
| 477 | T | 92.7 | Very high | 92.6 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -48.9 | -39 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | V479 Q480 L481 N515 | T477-V479 VanDerWaalsContact C-N 3.33Å; T477-V479 PolarHBondContact O-N 3.05Å; T477-Q480 PolarHBondContact O-N 3.29Å; T477-L481 HydrophobicContact CG2-CD1 3.95Å; T477-L481 HydrophobicContact CG2-CG 4.27Å; T477-L481 WeakPolarHBondContact O-CB 3.48Å; T477-L481 VanDerWaalsContact O-CG 3.27Å; T477-L481 WeakPolarHBondContact O-CG 3.25Å; T477-L481 PolarHBondContact O-N 3.1Å; T477-N515 WeakPolarHBondContact CG2-ND2 3.41Å; T477-N515 PolarHBondContact OG1-ND2 3.46Å |
| 478 | Q | 93.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.7 | -175.7 | -179 | -63.1 | 0 | 0 | 112.2 | A445 N476 Q482 | A445-Q478 HydrophobicContact CB-CG 4.03Å; N476-Q478 PolarHBondContact O-N 3.36Å; N476-Q478 VanDerWaalsContact O-N 3.07Å; N476-Q478 PolarHBondContact OD1-N 2.72Å; Q478-Q482 VanDerWaalsContact O-CB 3.31Å; Q478-Q482 WeakPolarHBondContact O-CB 3.37Å; Q478-Q482 PolarHBondContact O-N 3.03Å; Q478-Q482 VanDerWaalsContact O-N 3.11Å |
| 479 | V | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -46.6 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | P441 K444 A445 I448 E475 N476 T477 L481 Q482 L483 | P441-V479 HydrophobicContact CB-CG2 3.84Å; P441-V479 VanDerWaalsContact O-CG2 3.3Å; P441-V479 WeakPolarHBondContact O-CG2 3.33Å; K444-V479 HydrophobicContact CB-CG1 4.29Å; K444-V479 HydrophobicContact CB-CG2 4.04Å; A445-V479 HydrophobicContact CB-CG2 4.33Å; I448-V479 HydrophobicContact CD1-CG1 3.57Å; E475-V479 HydrophobicContact CB-CB 4.16Å; E475-V479 HydrophobicContact CB-CG1 4.03Å; E475-V479 HydrophobicContact CG-CG1 4.1Å; N476-V479 HydrophobicContact CB-CG2 4.26Å; N476-V479 WeakPolarHBondContact O-CA 3.37Å; N476-V479 WeakPolarHBondContact O-CB 3.44Å; N476-V479 PolarHBondContact O-N 3.45Å; T477-V479 VanDerWaalsContact C-N 3.33Å; T477-V479 PolarHBondContact O-N 3.05Å; V479-L481 PolarHBondContact O-N 3.21Å; V479-Q482 PolarHBondContact O-N 3.23Å; V479-Q482 VanDerWaalsContact O-N 3.15Å; V479-L483 VanDerWaalsContact O-CB 3.27Å; V479-L483 WeakPolarHBondContact O-CB 3.46Å; V479-L483 PolarHBondContact O-N 3.5Å |
| 480 | Q | 94.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 176.9 | -67.2 | 173 | -26.9 | 0 | 0 | 112.3 | F472 E475 N476 T477 Q482 L483 L484 L518 | F472-Q480 HydrophobicContact CD1-CG 4.5Å; F472-Q480 HydrophobicContact CD2-CB 4.48Å; F472-Q480 HydrophobicContact CD2-CG 4.31Å; F472-Q480 HydrophobicContact CE1-CB 4.49Å; F472-Q480 HydrophobicContact CE1-CG 4.3Å; F472-Q480 HydrophobicContact CE2-CB 3.82Å; F472-Q480 HydrophobicContact CE2-CG 4.09Å; F472-Q480 HydrophobicContact CZ-CB 3.85Å; F472-Q480 HydrophobicContact CZ-CG 4.1Å; F472-Q480 WeakPolarHBondContact O-CG 3.25Å; F472-Q480 PolarHBondContact O-NE2 2.69Å; E475-Q480 HydrophobicContact CB-CG 4.24Å; E475-Q480 PolarHBondContact O-NE2 3.36Å; N476-Q480 PolarHBondContact O-N 3.46Å; T477-Q480 PolarHBondContact O-N 3.29Å; Q480-Q482 VanDerWaalsContact C-N 3.29Å; Q480-Q482 PolarHBondContact O-N 3.4Å; Q480-L483 PolarHBondContact O-N 3.21Å; Q480-L484 WeakPolarHBondContact O-CB 3.44Å; Q480-L484 PolarHBondContact O-N 3.4Å; Q480-L518 HydrophobicContact CB-CD1 4.17Å; Q480-L518 HydrophobicContact CB-CD2 3.7Å; Q480-L518 HydrophobicContact CG-CD2 4.29Å; Q480-L518 VanDerWaalsContact OE1-CD2 3.31Å |
| 481 | L | 94 | Very high | 92.6 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 177 | -77.8 | 170.3 | 0 | 0 | 0 | 111.5 | T477 V479 T485 L518 R521 | T477-L481 HydrophobicContact CG2-CD1 3.95Å; T477-L481 HydrophobicContact CG2-CG 4.27Å; T477-L481 WeakPolarHBondContact O-CB 3.48Å; T477-L481 VanDerWaalsContact O-CG 3.27Å; T477-L481 WeakPolarHBondContact O-CG 3.25Å; T477-L481 PolarHBondContact O-N 3.1Å; V479-L481 PolarHBondContact O-N 3.21Å; L481-T485 PolarHBondContact O-N 2.82Å; L481-T485 VanDerWaalsContact O-N 3.12Å; L481-T485 PolarHBondContact O-OG1 2.97Å; L481-L518 HydrophobicContact CD2-CB 4.2Å; L481-L518 HydrophobicContact CD2-CD1 3.83Å; L481-L518 HydrophobicContact CG-CD1 4.2Å; L481-R521 HydrophobicContact CD2-CB 4.3Å |
| 482 | Q | 94.7 | Very high | 92.6 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.2 | -35.2 | -178.7 | -167.1 | 44.7 | 67.7 | 0 | 0 | 112.1 | A445 I448 W449 Q478 V479 Q480 T485 A486 | A445-Q482 HydrophobicContact CB-CB 4.19Å; A445-Q482 HydrophobicContact CB-CG 4.26Å; A445-Q482 WeakPolarHBondContact O-CG 3.4Å; I448-Q482 HydrophobicContact CB-CG 4.25Å; I448-Q482 HydrophobicContact CG2-CB 4.38Å; I448-Q482 HydrophobicContact CG2-CG 4.04Å; W449-Q482 HydrophobicContact CB-CG 3.91Å; Q478-Q482 VanDerWaalsContact O-CB 3.31Å; Q478-Q482 WeakPolarHBondContact O-CB 3.37Å; Q478-Q482 PolarHBondContact O-N 3.03Å; Q478-Q482 VanDerWaalsContact O-N 3.11Å; V479-Q482 PolarHBondContact O-N 3.23Å; V479-Q482 VanDerWaalsContact O-N 3.15Å; Q480-Q482 VanDerWaalsContact C-N 3.29Å; Q480-Q482 PolarHBondContact O-N 3.4Å; Q482-T485 PolarHBondContact O-N 3.1Å; Q482-A486 VanDerWaalsContact O-CB 3.23Å; Q482-A486 WeakPolarHBondContact O-CB 3.33Å; Q482-A486 PolarHBondContact O-N 3.35Å |
| 483 | L | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -45.3 | 175.7 | -176 | 54.1 | 0 | 0 | 0 | 111.9 | I448 L465 F468 L469 F472 V479 Q480 T485 A486 I487 | I448-L483 HydrophobicContact CD1-CB 4.35Å; I448-L483 HydrophobicContact CG2-CB 4.12Å; I448-L483 HydrophobicContact CG2-CD1 4.12Å; L465-L483 HydrophobicContact CB-CD1 4.33Å; L465-L483 HydrophobicContact CD2-CD1 3.91Å; F468-L483 HydrophobicContact CB-CD1 4Å; F468-L483 HydrophobicContact CB-CD2 3.85Å; L469-L483 HydrophobicContact CB-CD2 4.43Å; L469-L483 HydrophobicContact CD1-CD2 4.36Å; F472-L483 HydrophobicContact CD2-CD2 3.83Å; F472-L483 HydrophobicContact CD2-CG 4.47Å; F472-L483 HydrophobicContact CE2-CD2 4.49Å; V479-L483 VanDerWaalsContact O-CB 3.27Å; V479-L483 WeakPolarHBondContact O-CB 3.46Å; V479-L483 PolarHBondContact O-N 3.5Å; Q480-L483 PolarHBondContact O-N 3.21Å; L483-T485 PolarHBondContact O-N 3.47Å; L483-A486 PolarHBondContact O-N 3.18Å; L483-I487 HydrophobicContact CD1-CD1 3.74Å; L483-I487 HydrophobicContact CD1-CG1 4.06Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 WeakPolarHBondContact O-CG1 3.49Å; L483-I487 PolarHBondContact O-N 3.34Å |
| 484 | L | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.4 | -51.3 | 171.2 | 173.1 | 62.8 | 0 | 0 | 0 | 111.2 | Q480 A486 V488 V505 L506 A509 L518 R521 Y525 | Q480-L484 WeakPolarHBondContact O-CB 3.44Å; Q480-L484 PolarHBondContact O-N 3.4Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.06Å; L484-V488 HydrophobicContact CD1-CG2 4.29Å; L484-V488 VanDerWaalsContact O-CG2 3.26Å; L484-V488 WeakPolarHBondContact O-CG2 3.28Å; L484-V488 PolarHBondContact O-N 3.06Å; L484-V488 VanDerWaalsContact O-N 3.11Å; L484-V505 HydrophobicContact CB-CG2 4.19Å; L484-V505 HydrophobicContact CD1-CG1 3.96Å; L484-V505 HydrophobicContact CD1-CG2 3.99Å; L484-L506 HydrophobicContact CD1-CD2 3.92Å; L484-A509 HydrophobicContact CD1-CB 4.42Å; L484-A509 HydrophobicContact CD2-CB 4.21Å; L484-L518 HydrophobicContact CB-CD1 4.39Å; L484-L518 HydrophobicContact CD2-CD1 3.89Å; L484-R521 HydrophobicContact CD2-CB 4.16Å; L484-R521 HydrophobicContact CD2-CG 3.98Å; L484-Y525 HydrophobicContact CD1-CD2 4.13Å; L484-Y525 HydrophobicContact CD2-CD2 4Å; L484-Y525 HydrophobicContact CD2-CE2 4.24Å; L484-Y525 HydrophobicContact CG-CD2 3.79Å; L484-Y525 HydrophobicContact CG-CE2 3.97Å |
| 485 | T | 93.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.9 | -63 | 0 | 0 | 0 | 0 | 112 | L481 Q482 L483 K489 Y525 | L481-T485 PolarHBondContact O-N 2.82Å; L481-T485 VanDerWaalsContact O-N 3.12Å; L481-T485 PolarHBondContact O-OG1 2.97Å; Q482-T485 PolarHBondContact O-N 3.1Å; L483-T485 PolarHBondContact O-N 3.47Å; T485-K489 HydrophobicContact CG2-CD 4.23Å; T485-K489 VanDerWaalsContact O-CG 3.25Å; T485-K489 WeakPolarHBondContact O-CG 3.43Å; T485-K489 PolarHBondContact O-N 3.28Å; T485-Y525 WeakPolarHBondContact CG2-OH 3.49Å; T485-Y525 PolarHBondContact OG1-OH 2.78Å |
| 486 | A | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I448 L465 Q482 L483 L484 K489 L490 | I448-A486 HydrophobicContact CG2-CB 3.59Å; I448-A486 WeakPolarHBondContact O-CB 3.12Å; L465-A486 HydrophobicContact CD1-CB 4.05Å; L465-A486 HydrophobicContact CD2-CB 4.05Å; Q482-A486 VanDerWaalsContact O-CB 3.23Å; Q482-A486 WeakPolarHBondContact O-CB 3.33Å; Q482-A486 PolarHBondContact O-N 3.35Å; L483-A486 PolarHBondContact O-N 3.18Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.06Å; A486-K489 WeakPolarHBondContact O-CB 3.49Å; A486-K489 PolarHBondContact O-N 3.34Å; A486-L490 WeakPolarHBondContact O-CB 3.49Å; A486-L490 PolarHBondContact O-N 3.4Å |
| 487 | I | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 178 | -69.1 | 168.7 | 0 | 0 | 0 | 110.8 | L465 L469 L483 K489 L490 F491 L501 V502 V505 | L465-I487 HydrophobicContact CB-CG1 4.05Å; L465-I487 HydrophobicContact CD1-CG1 3.94Å; L469-I487 HydrophobicContact CB-CD1 4.39Å; L469-I487 HydrophobicContact CD1-CD1 3.96Å; L469-I487 HydrophobicContact CD2-CD1 4.01Å; L469-I487 HydrophobicContact CG-CD1 4.36Å; L483-I487 HydrophobicContact CD1-CD1 3.74Å; L483-I487 HydrophobicContact CD1-CG1 4.06Å; L483-I487 HydrophobicContact CG-CD1 3.93Å; L483-I487 WeakPolarHBondContact O-CG1 3.49Å; L483-I487 PolarHBondContact O-N 3.34Å; I487-K489 VanDerWaalsContact C-N 3.29Å; I487-K489 PolarHBondContact O-N 2.97Å; I487-L490 PolarHBondContact O-N 3.03Å; I487-F491 PolarHBondContact O-N 3.38Å; I487-L501 HydrophobicContact CG2-CB 4.05Å; I487-V502 HydrophobicContact CG2-CB 4.5Å; I487-V502 HydrophobicContact CG2-CG2 3.83Å; I487-V505 HydrophobicContact CB-CG1 4.06Å; I487-V505 HydrophobicContact CD1-CB 3.86Å; I487-V505 HydrophobicContact CD1-CG1 4.16Å; I487-V505 HydrophobicContact CD1-CG2 3.96Å; I487-V505 HydrophobicContact CG2-CB 4.49Å; I487-V505 HydrophobicContact CG2-CG1 3.69Å |
| 488 | V | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | L484 F491 L492 Y525 L529 V540 | L484-V488 HydrophobicContact CD1-CG2 4.29Å; L484-V488 VanDerWaalsContact O-CG2 3.26Å; L484-V488 WeakPolarHBondContact O-CG2 3.28Å; L484-V488 PolarHBondContact O-N 3.06Å; L484-V488 VanDerWaalsContact O-N 3.11Å; V488-F491 PolarHBondContact O-N 2.9Å; V488-L492 HydrophobicContact CG1-CD1 4.07Å; V488-L492 WeakPolarHBondContact O-CG 3.47Å; V488-L492 PolarHBondContact O-N 2.97Å; V488-Y525 HydrophobicContact CB-CD2 4.47Å; V488-Y525 HydrophobicContact CB-CG 4.49Å; V488-Y525 HydrophobicContact CG1-CD1 4.13Å; V488-Y525 HydrophobicContact CG1-CG 4.18Å; V488-Y525 HydrophobicContact CG2-CD2 3.86Å; V488-Y525 HydrophobicContact CG2-CE2 4.46Å; V488-Y525 HydrophobicContact CG2-CG 3.98Å; V488-L529 HydrophobicContact CG1-CD1 4.22Å; V488-L529 HydrophobicContact CG1-CD2 4.46Å; V488-L529 HydrophobicContact CG2-CD1 4.45Å; V488-V540 HydrophobicContact CG1-CG1 4.2Å; V488-V540 HydrophobicContact CG1-CG2 4.31Å |
| 489 | K | 91.7 | Very high | 89.4 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 173.3 | -75.9 | 178.3 | 174.2 | -173 | 0 | 112.4 | E453 T485 A486 I487 F491 L492 K493 V540 L541 | E453-K489 IonicContact OE2-NZ 3.19Å; E453-K489 PolarHBondContact OE2-NZ 3.26Å; T485-K489 HydrophobicContact CG2-CD 4.23Å; T485-K489 VanDerWaalsContact O-CG 3.25Å; T485-K489 WeakPolarHBondContact O-CG 3.43Å; T485-K489 PolarHBondContact O-N 3.28Å; A486-K489 WeakPolarHBondContact O-CB 3.49Å; A486-K489 PolarHBondContact O-N 3.34Å; I487-K489 VanDerWaalsContact C-N 3.29Å; I487-K489 PolarHBondContact O-N 2.97Å; K489-F491 VanDerWaalsContact C-N 3.25Å; K489-F491 PolarHBondContact O-N 3.17Å; K489-L492 PolarHBondContact O-N 2.86Å; K489-K493 WeakPolarHBondContact O-CB 3.45Å; K489-K493 VanDerWaalsContact O-CG 3.28Å; K489-K493 WeakPolarHBondContact O-CG 3.4Å; K489-K493 PolarHBondContact O-N 3.04Å; K489-K493 VanDerWaalsContact O-N 3.11Å; K489-V540 WeakPolarHBondContact CE-O 3.19Å; K489-V540 HydrophobicContact CG-CG1 3.62Å; K489-L541 HydrophobicContact CB-CD2 4.23Å; K489-L541 HydrophobicContact CD-CD2 4.38Å; K489-L541 HydrophobicContact CG-CD2 3.81Å |
| 490 | L | 91.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -42.5 | 177.4 | 175.6 | 62.1 | 0 | 0 | 0 | 110.3 | A455 A461 D462 L465 A486 I487 K493 R494 T498 L501 | A455-L490 HydrophobicContact CB-CB 4.42Å; A455-L490 HydrophobicContact CB-CD1 3.73Å; A461-L490 HydrophobicContact CB-CD1 4Å; D462-L490 HydrophobicContact CB-CD2 4.04Å; L465-L490 HydrophobicContact CD1-CB 4.15Å; L465-L490 HydrophobicContact CD1-CD2 3.84Å; A486-L490 WeakPolarHBondContact O-CB 3.49Å; A486-L490 PolarHBondContact O-N 3.4Å; I487-L490 PolarHBondContact O-N 3.03Å; L490-K493 PolarHBondContact O-N 2.87Å; L490-R494 HydrophobicContact CD1-CB 4.48Å; L490-R494 PolarHBondContact O-N 2.68Å; L490-T498 HydrophobicContact CD1-CG2 4.24Å; L490-T498 HydrophobicContact CD2-CG2 3.81Å; L490-T498 HydrophobicContact CG-CG2 3.63Å; L490-L501 HydrophobicContact CD2-CD1 4.45Å |
| 491 | F | 90.5 | Very high | 88.8 | Confident | 47 Ų | 47 | 39 Ų | 39 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.5 | 175.3 | -106.4 | 0 | 0 | 0 | 115 | I487 V488 K489 K493 R494 P495 T498 Q499 V502 L529 | I487-F491 PolarHBondContact O-N 3.38Å; V488-F491 PolarHBondContact O-N 2.9Å; K489-F491 VanDerWaalsContact C-N 3.25Å; K489-F491 PolarHBondContact O-N 3.17Å; F491-K493 PolarHBondContact O-N 2.93Å; F491-R494 CarbonylContact O-C 3.5Å; F491-R494 PolarHBondContact O-N 2.88Å; F491-P495 HydrophobicContact CD2-CB 4.39Å; F491-P495 HydrophobicContact CE2-CB 4.1Å; F491-P495 WeakPolarHBondContact O-CA 3.34Å; F491-T498 VanDerWaalsContact CA-OG1 3.31Å; F491-T498 WeakPolarHBondContact CA-OG1 3.46Å; F491-T498 WeakPolarHBondContact CD2-OG1 3.28Å; F491-Q499 HydrophobicContact CE2-CG 3.91Å; F491-V502 HydrophobicContact CB-CG2 3.22Å; F491-V502 HydrophobicContact CD1-CG2 4.17Å; F491-V502 HydrophobicContact CD2-CG2 3.81Å; F491-V502 HydrophobicContact CG-CB 4.47Å; F491-V502 HydrophobicContact CG-CG2 3.48Å; F491-V502 VanDerWaalsContact CG-CG2 3.48Å; F491-L529 HydrophobicContact CD1-CD1 4.3Å; F491-L529 HydrophobicContact CD1-CD2 3.96Å; F491-L529 HydrophobicContact CE1-CD1 4.46Å; F491-L529 HydrophobicContact CE1-CD2 3.99Å |
| 492 | L | 88 | Confident | 88.6 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -21.5 | 176.2 | -71.4 | 169.2 | 0 | 0 | 0 | 112.6 | V488 K489 L529 A536 K537 V540 | V488-L492 HydrophobicContact CG1-CD1 4.07Å; V488-L492 WeakPolarHBondContact O-CG 3.47Å; V488-L492 PolarHBondContact O-N 2.97Å; K489-L492 PolarHBondContact O-N 2.86Å; L492-L529 HydrophobicContact CD2-CD2 3.65Å; L492-L529 HydrophobicContact CG-CD2 4.1Å; L492-A536 HydrophobicContact CD2-CB 4.12Å; L492-K537 HydrophobicContact CD2-CB 4.46Å; L492-V540 HydrophobicContact CD1-CB 3.63Å; L492-V540 HydrophobicContact CD1-CG1 3.9Å; L492-V540 HydrophobicContact CD1-CG2 3.97Å |
| 493 | K | 87 | Confident | 88.4 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -93.7 | -41.1 | 177.5 | -68.8 | 175.8 | 172.3 | -152.4 | 0 | 113 | E453 A455 E456 K489 L490 F491 L541 | E453-K493 PolarHBondContact O-NZ 2.8Å; A455-K493 HydrophobicContact CB-CD 4.23Å; E456-K493 HydrophobicContact CG-CB 4.15Å; E456-K493 HydrophobicContact CG-CD 4.01Å; E456-K493 HydrophobicContact CG-CG 4.27Å; K489-K493 WeakPolarHBondContact O-CB 3.45Å; K489-K493 VanDerWaalsContact O-CG 3.28Å; K489-K493 WeakPolarHBondContact O-CG 3.4Å; K489-K493 PolarHBondContact O-N 3.04Å; K489-K493 VanDerWaalsContact O-N 3.11Å; L490-K493 PolarHBondContact O-N 2.87Å; F491-K493 PolarHBondContact O-N 2.93Å; K493-L541 HydrophobicContact CG-CD1 4.25Å |
| 494 | R | 85.6 | Confident | 88.3 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | trans | -132.8 | 74.8 | -175.9 | -64.6 | -175.4 | 179.9 | 178.2 | 0.3 | 111.1 | A455 E456 I458 D459 L490 F491 S496 T498 | A455-R494 PolarHBondContact O-NE 2.82Å; A455-R494 PolarHBondContact O-NH2 3.34Å; E456-R494 PolarHBondContact O-NH2 3.29Å; I458-R494 PolarHBondContact O-NH1 3.2Å; I458-R494 PolarHBondContact O-NH2 2.55Å; D459-R494 PolarHBondContact O-NH1 3.03Å; D459-R494 IonicContact OD1-NH2 3.75Å; L490-R494 HydrophobicContact CD1-CB 4.48Å; L490-R494 PolarHBondContact O-N 2.68Å; F491-R494 CarbonylContact O-C 3.5Å; F491-R494 PolarHBondContact O-N 2.88Å; R494-S496 VanDerWaalsContact C-N 3.3Å; R494-S496 PolarHBondContact O-N 2.82Å; R494-T498 HydrophobicContact CB-CG2 4.49Å; R494-T498 WeakPolarHBondContact O-CG2 3.46Å; R494-T498 PolarHBondContact O-OG1 3.19Å | ||
| 495 | P | 80.1 | Confident | 88.2 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -13.8 | -172.4 | 27.9 | -35.6 | 0 | 0 | 0 | 115.2 | F491 Q499 | F491-P495 HydrophobicContact CD2-CB 4.39Å; F491-P495 HydrophobicContact CE2-CB 4.1Å; F491-P495 WeakPolarHBondContact O-CA 3.34Å; P495-Q499 WeakPolarHBondContact O-CG 3.23Å |
| 496 | S | 78.5 | Confident | 88.1 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -42.9 | -177.4 | 38.6 | 0 | 0 | 0 | 0 | 113 | R494 | R494-S496 VanDerWaalsContact C-N 3.3Å; R494-S496 PolarHBondContact O-N 2.82Å |
| 497 | D | 73.3 | Confident | 88.1 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 62% | 0.62 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -2 | -164.1 | -48.3 | -55.6 | 0 | 0 | 0 | 112.8 | ||
| 498 | T | 84.2 | Confident | 88 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | trans | -120.3 | 7.6 | -164.5 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | L490 F491 R494 E500 L501 V502 | L490-T498 HydrophobicContact CD1-CG2 4.24Å; L490-T498 HydrophobicContact CD2-CG2 3.81Å; L490-T498 HydrophobicContact CG-CG2 3.63Å; F491-T498 VanDerWaalsContact CA-OG1 3.31Å; F491-T498 WeakPolarHBondContact CA-OG1 3.46Å; F491-T498 WeakPolarHBondContact CD2-OG1 3.28Å; R494-T498 HydrophobicContact CB-CG2 4.49Å; R494-T498 WeakPolarHBondContact O-CG2 3.46Å; R494-T498 PolarHBondContact O-OG1 3.19Å; T498-E500 PolarHBondContact O-N 2.98Å; T498-L501 PolarHBondContact O-N 2.94Å; T498-V502 WeakPolarHBondContact O-CG2 3.45Å; T498-V502 PolarHBondContact O-N 3.48Å; T498-V502 VanDerWaalsContact O-N 3.14Å | ||
| 499 | Q | 84.2 | Confident | 87.9 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | -178.9 | -70.9 | -175.2 | 3.3 | 0 | 0 | 112.4 | F491 P495 V502 Q503 | F491-Q499 HydrophobicContact CE2-CG 3.91Å; P495-Q499 WeakPolarHBondContact O-CG 3.23Å; Q499-V502 PolarHBondContact O-N 2.91Å; Q499-Q503 WeakPolarHBondContact O-CG 3.37Å; Q499-Q503 PolarHBondContact O-N 2.79Å; Q499-Q503 VanDerWaalsContact O-N 3.13Å |
| 500 | E | 88.1 | Confident | 87.8 | Confident | 163 Ų | 163 | 51.6 Ų | 51.6 | 76% | 0.762 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 179.7 | -63.8 | -172 | 172.2 | 0 | 0 | 111.3 | T498 V502 Q503 R504 | T498-E500 PolarHBondContact O-N 2.98Å; E500-V502 PolarHBondContact O-N 3.33Å; E500-Q503 PolarHBondContact O-N 2.92Å; E500-R504 WeakPolarHBondContact O-CB 3.4Å; E500-R504 PolarHBondContact O-N 3.33Å |
| 501 | L | 89.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 178.1 | -67.2 | 175.2 | 0 | 0 | 0 | 112.3 | D462 D466 L469 I487 L490 T498 R504 V505 | D462-L501 HydrophobicContact CB-CD1 3.94Å; D466-L501 HydrophobicContact CB-CD2 3.54Å; D466-L501 VanDerWaalsContact CG-CD2 3.41Å; D466-L501 WeakPolarHBondContact OD1-CD2 3.09Å; L469-L501 HydrophobicContact CD2-CD2 4.2Å; I487-L501 HydrophobicContact CG2-CB 4.05Å; L490-L501 HydrophobicContact CD2-CD1 4.45Å; T498-L501 PolarHBondContact O-N 2.94Å; L501-R504 PolarHBondContact O-N 3.02Å; L501-V505 PolarHBondContact O-N 2.94Å |
| 502 | V | 89.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | I487 F491 T498 Q499 E500 R504 V505 L506 L529 | I487-V502 HydrophobicContact CG2-CB 4.5Å; I487-V502 HydrophobicContact CG2-CG2 3.83Å; F491-V502 HydrophobicContact CB-CG2 3.22Å; F491-V502 HydrophobicContact CD1-CG2 4.17Å; F491-V502 HydrophobicContact CD2-CG2 3.81Å; F491-V502 HydrophobicContact CG-CB 4.47Å; F491-V502 HydrophobicContact CG-CG2 3.48Å; F491-V502 VanDerWaalsContact CG-CG2 3.48Å; T498-V502 WeakPolarHBondContact O-CG2 3.45Å; T498-V502 PolarHBondContact O-N 3.48Å; T498-V502 VanDerWaalsContact O-N 3.14Å; Q499-V502 PolarHBondContact O-N 2.91Å; E500-V502 PolarHBondContact O-N 3.33Å; V502-R504 VanDerWaalsContact C-N 3.31Å; V502-R504 PolarHBondContact O-N 3.13Å; V502-V505 WeakPolarHBondContact O-CG1 3.48Å; V502-L506 HydrophobicContact CG1-CD1 3.63Å; V502-L506 HydrophobicContact CG1-CG 4.2Å; V502-L506 VanDerWaalsContact O-CB 3.3Å; V502-L506 WeakPolarHBondContact O-CB 3.41Å; V502-L506 WeakPolarHBondContact O-CG 3.25Å; V502-L506 PolarHBondContact O-N 2.68Å; V502-L529 HydrophobicContact CG1-CD1 3.97Å |
| 503 | Q | 90 | Very high | 87.6 | Confident | 136 Ų | 136 | 60.8 Ų | 60.8 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 178.2 | -72.4 | 178 | 7.6 | 0 | 0 | 111 | Q499 E500 S507 | Q499-Q503 WeakPolarHBondContact O-CG 3.37Å; Q499-Q503 PolarHBondContact O-N 2.79Å; Q499-Q503 VanDerWaalsContact O-N 3.13Å; E500-Q503 PolarHBondContact O-N 2.92Å; Q503-S507 WeakPolarHBondContact O-CB 3.12Å; Q503-S507 PolarHBondContact O-N 3.12Å |
| 504 | R | 93.4 | Very high | 87.6 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 178 | -172.8 | 175.8 | 177.8 | -165 | 4.6 | 111.6 | D466 L469 E500 L501 V502 L506 S507 L508 | D466-R504 IonicContact OD1-NH1 2.78Å; D466-R504 PolarHBondContact OD1-NH1 3.41Å; L469-R504 HydrophobicContact CD2-CB 4.07Å; L469-R504 HydrophobicContact CD2-CG 3.9Å; L469-R504 HydrophobicContact CG-CG 4.47Å; E500-R504 WeakPolarHBondContact O-CB 3.4Å; E500-R504 PolarHBondContact O-N 3.33Å; L501-R504 PolarHBondContact O-N 3.02Å; V502-R504 VanDerWaalsContact C-N 3.31Å; V502-R504 PolarHBondContact O-N 3.13Å; R504-L506 VanDerWaalsContact C-N 3.35Å; R504-L506 PolarHBondContact O-N 3.41Å; R504-S507 PolarHBondContact O-N 2.93Å; R504-L508 HydrophobicContact CG-CD1 3.99Å; R504-L508 WeakPolarHBondContact O-CB 3.33Å; R504-L508 VanDerWaalsContact O-CG 3.31Å; R504-L508 WeakPolarHBondContact O-CG 3.29Å; R504-L508 PolarHBondContact O-N 3.07Å |
| 505 | V | 93.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | -179.4 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | L469 F472 L484 I487 L501 V502 A509 | L469-V505 HydrophobicContact CD1-CB 3.72Å; L469-V505 HydrophobicContact CD1-CG2 3.68Å; L469-V505 HydrophobicContact CD2-CB 4.42Å; F472-V505 HydrophobicContact CD2-CG2 4.39Å; F472-V505 HydrophobicContact CE2-CG2 3.91Å; F472-V505 HydrophobicContact CZ-CG2 4.45Å; L484-V505 HydrophobicContact CB-CG2 4.19Å; L484-V505 HydrophobicContact CD1-CG1 3.96Å; L484-V505 HydrophobicContact CD1-CG2 3.99Å; I487-V505 HydrophobicContact CB-CG1 4.06Å; I487-V505 HydrophobicContact CD1-CB 3.86Å; I487-V505 HydrophobicContact CD1-CG1 4.16Å; I487-V505 HydrophobicContact CD1-CG2 3.96Å; I487-V505 HydrophobicContact CG2-CB 4.49Å; I487-V505 HydrophobicContact CG2-CG1 3.69Å; L501-V505 PolarHBondContact O-N 2.94Å; V502-V505 WeakPolarHBondContact O-CG1 3.48Å; V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 3.43Å |
| 506 | L | 91.8 | Very high | 88.3 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 175.8 | -71.6 | 175.4 | 0 | 0 | 0 | 111.6 | L484 V502 R504 T510 G522 W526 L529 | L484-L506 HydrophobicContact CD1-CD2 3.92Å; V502-L506 HydrophobicContact CG1-CD1 3.63Å; V502-L506 HydrophobicContact CG1-CG 4.2Å; V502-L506 VanDerWaalsContact O-CB 3.3Å; V502-L506 WeakPolarHBondContact O-CB 3.41Å; V502-L506 WeakPolarHBondContact O-CG 3.25Å; V502-L506 PolarHBondContact O-N 2.68Å; R504-L506 VanDerWaalsContact C-N 3.35Å; R504-L506 PolarHBondContact O-N 3.41Å; L506-T510 VanDerWaalsContact O-CB 3.32Å; L506-T510 WeakPolarHBondContact O-CB 3.35Å; L506-T510 VanDerWaalsContact O-CG2 3.3Å; L506-T510 WeakPolarHBondContact O-CG2 3.37Å; L506-T510 PolarHBondContact O-N 3.04Å; L506-T510 PolarHBondContact O-OG1 3Å; L506-G522 WeakPolarHBondContact CD2-O 3.29Å; L506-W526 HydrophobicContact CD1-CB 4.23Å; L506-W526 HydrophobicContact CD2-CB 4.27Å; L506-L529 HydrophobicContact CD1-CD1 4.39Å |
| 507 | S | 92.6 | Very high | 89 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -51.2 | 174.3 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | Q503 R504 A509 T510 Q511 | Q503-S507 WeakPolarHBondContact O-CB 3.12Å; Q503-S507 PolarHBondContact O-N 3.12Å; R504-S507 PolarHBondContact O-N 2.93Å; S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.44Å; S507-T510 PolarHBondContact O-N 3.46Å; S507-Q511 WeakPolarHBondContact O-CB 3.44Å; S507-Q511 PolarHBondContact O-N 3.5Å |
| 508 | L | 92.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -57.3 | -45.6 | 177.2 | -71 | 165.6 | 0 | 0 | 0 | 111.4 | L469 F472 R504 T510 D512 S513 | L469-L508 HydrophobicContact CD1-CD1 3.77Å; L469-L508 HydrophobicContact CG-CD1 4.21Å; F472-L508 HydrophobicContact CB-CD1 4.08Å; F472-L508 HydrophobicContact CD1-CB 3.77Å; F472-L508 HydrophobicContact CD1-CD1 4.2Å; F472-L508 HydrophobicContact CD1-CG 4.43Å; F472-L508 HydrophobicContact CE1-CB 3.82Å; F472-L508 HydrophobicContact CG-CB 4.46Å; F472-L508 HydrophobicContact CG-CD1 4.17Å; R504-L508 HydrophobicContact CG-CD1 3.99Å; R504-L508 WeakPolarHBondContact O-CB 3.33Å; R504-L508 VanDerWaalsContact O-CG 3.31Å; R504-L508 WeakPolarHBondContact O-CG 3.29Å; R504-L508 PolarHBondContact O-N 3.07Å; L508-T510 PolarHBondContact O-N 3Å; L508-D512 HydrophobicContact CD2-CB 4.47Å; L508-D512 WeakPolarHBondContact CD2-OD2 3.16Å; L508-D512 CarbonylContact O-C 3.6Å; L508-D512 PolarHBondContact O-N 3.28Å; L508-S513 WeakPolarHBondContact O-CB 3.27Å; L508-S513 PolarHBondContact O-N 3.41Å |
| 509 | A | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -70.7 | -29 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | F472 L484 V505 S507 S513 L518 R519 | F472-A509 HydrophobicContact CZ-CB 4.39Å; L484-A509 HydrophobicContact CD1-CB 4.42Å; L484-A509 HydrophobicContact CD2-CB 4.21Å; V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 3.43Å; S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.44Å; A509-S513 WeakPolarHBondContact O-CB 3.47Å; A509-L518 HydrophobicContact CB-CD1 4.29Å; A509-L518 HydrophobicContact CB-CG 4.16Å; A509-R519 WeakPolarHBondContact O-CA 3.47Å; A509-R519 VanDerWaalsContact O-CG 3.29Å; A509-R519 WeakPolarHBondContact O-CG 3.28Å |
| 510 | T | 89.7 | Confident | 90.7 | Very high | 13 Ų | 13 | 65.3 Ų | 65.3 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -101.4 | -32.4 | -173.7 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | L506 S507 L508 R519 Y523 | L506-T510 VanDerWaalsContact O-CB 3.32Å; L506-T510 WeakPolarHBondContact O-CB 3.35Å; L506-T510 VanDerWaalsContact O-CG2 3.3Å; L506-T510 WeakPolarHBondContact O-CG2 3.37Å; L506-T510 PolarHBondContact O-N 3.04Å; L506-T510 PolarHBondContact O-OG1 3Å; S507-T510 PolarHBondContact O-N 3.46Å; L508-T510 PolarHBondContact O-N 3Å; T510-R519 PolarHBondContact O-NE 3.49Å; T510-R519 PolarHBondContact O-NH2 3.45Å; T510-Y523 HydrophobicContact CG2-CD1 3.87Å; T510-Y523 HydrophobicContact CG2-CD2 4.42Å; T510-Y523 HydrophobicContact CG2-CE1 3.86Å; T510-Y523 HydrophobicContact CG2-CE2 4.41Å; T510-Y523 HydrophobicContact CG2-CG 4.15Å |
| 511 | Q | 89.9 | Confident | 90.9 | Very high | 141 Ų | 141 | 62.1 Ų | 62.1 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | I | π-helix | trans | -104.6 | -42.3 | -174.1 | -57.4 | -179.9 | 27.8 | 0 | 0 | 112.2 | S507 | S507-Q511 WeakPolarHBondContact O-CB 3.44Å; S507-Q511 PolarHBondContact O-N 3.5Å |
| 512 | D | 87.9 | Confident | 91 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -98.9 | -17.7 | -170.9 | -56.4 | -29.2 | 0 | 0 | 0 | 113.1 | L508 | L508-D512 HydrophobicContact CD2-CB 4.47Å; L508-D512 WeakPolarHBondContact CD2-OD2 3.16Å; L508-D512 CarbonylContact O-C 3.6Å; L508-D512 PolarHBondContact O-N 3.28Å |
| 513 | S | 87.4 | Confident | 91.2 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | trans | -85 | 134.1 | 178.1 | 174 | 0 | 0 | 0 | 0 | 112.6 | L508 A509 N515 L518 R519 | L508-S513 WeakPolarHBondContact O-CB 3.27Å; L508-S513 PolarHBondContact O-N 3.41Å; A509-S513 WeakPolarHBondContact O-CB 3.47Å; S513-N515 PolarHBondContact OG-N 3.27Å; S513-N515 VanDerWaalsContact OG-N 3.12Å; S513-L518 WeakPolarHBondContact OG-CD2 3.46Å; S513-R519 VanDerWaalsContact O-CD 3.23Å; S513-R519 WeakPolarHBondContact O-CD 3.45Å; S513-R519 WeakPolarHBondContact O-CG 3.37Å | ||
| 514 | D | 85.5 | Confident | 91.2 | Very high | 161 Ų | 161 | 62.2 Ų | 62.2 | 86% | 0.861 | 31% | 0.309 | S | S | * | . | trans | -88.4 | -11.2 | 170.6 | -69.6 | -37.6 | 0 | 0 | 0 | 113.4 | ||||
| 515 | N | 90.7 | Very high | 91.1 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -79.9 | 122.1 | -175 | -176.5 | -65.7 | 0 | 0 | 0 | 111.6 | T477 S513 D517 L518 R519 | T477-N515 WeakPolarHBondContact CG2-ND2 3.41Å; T477-N515 PolarHBondContact OG1-ND2 3.46Å; S513-N515 PolarHBondContact OG-N 3.27Å; S513-N515 VanDerWaalsContact OG-N 3.12Å; N515-D517 PolarHBondContact O-N 3.43Å; N515-D517 WeakPolarHBondContact OD1-CB 3.49Å; N515-D517 PolarHBondContact OD1-N 3.27Å; N515-L518 HydrophobicContact CB-CB 4.03Å; N515-L518 PolarHBondContact O-N 3.32Å; N515-L518 PolarHBondContact OD1-N 3.11Å; N515-L518 VanDerWaalsContact OD1-N 3.11Å; N515-R519 VanDerWaalsContact O-CG 3.3Å; N515-R519 WeakPolarHBondContact O-CG 3.23Å; N515-R519 PolarHBondContact O-N 3.42Å | ||
| 516 | P | 91 | Very high | 91 | Very high | 82 Ų | 82 | 65 Ų | 65 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | -175.5 | 25.3 | -33.8 | 0 | 0 | 0 | 113.3 | L518 R519 D520 | P516-L518 VanDerWaalsContact C-N 3.32Å; P516-L518 PolarHBondContact O-N 3.34Å; P516-R519 PolarHBondContact O-N 2.95Å; P516-D520 WeakPolarHBondContact O-CB 3.47Å; P516-D520 PolarHBondContact O-N 3.27Å |
| 517 | D | 91.8 | Very high | 90.9 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 180 | -64.4 | -41.8 | 0 | 0 | 0 | 111.4 | N515 R521 | N515-D517 PolarHBondContact O-N 3.43Å; N515-D517 WeakPolarHBondContact OD1-CB 3.49Å; N515-D517 PolarHBondContact OD1-N 3.27Å; D517-R521 VanDerWaalsContact O-CB 3.27Å; D517-R521 WeakPolarHBondContact O-CB 3.32Å; D517-R521 PolarHBondContact O-N 2.99Å |
| 518 | L | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 177.5 | -175.6 | 58.7 | 0 | 0 | 0 | 111.4 | F472 Q480 L481 L484 A509 S513 N515 P516 G522 | F472-L518 HydrophobicContact CE1-CD2 4.03Å; F472-L518 HydrophobicContact CZ-CD1 4.23Å; F472-L518 HydrophobicContact CZ-CD2 3.78Å; F472-L518 HydrophobicContact CZ-CG 4.43Å; Q480-L518 HydrophobicContact CB-CD1 4.17Å; Q480-L518 HydrophobicContact CB-CD2 3.7Å; Q480-L518 HydrophobicContact CG-CD2 4.29Å; Q480-L518 VanDerWaalsContact OE1-CD2 3.31Å; L481-L518 HydrophobicContact CD2-CB 4.2Å; L481-L518 HydrophobicContact CD2-CD1 3.83Å; L481-L518 HydrophobicContact CG-CD1 4.2Å; L484-L518 HydrophobicContact CB-CD1 4.39Å; L484-L518 HydrophobicContact CD2-CD1 3.89Å; A509-L518 HydrophobicContact CB-CD1 4.29Å; A509-L518 HydrophobicContact CB-CG 4.16Å; S513-L518 WeakPolarHBondContact OG-CD2 3.46Å; N515-L518 HydrophobicContact CB-CB 4.03Å; N515-L518 PolarHBondContact O-N 3.32Å; N515-L518 PolarHBondContact OD1-N 3.11Å; N515-L518 VanDerWaalsContact OD1-N 3.11Å; P516-L518 VanDerWaalsContact C-N 3.32Å; P516-L518 PolarHBondContact O-N 3.34Å; L518-G522 PolarHBondContact O-N 3.13Å |
| 519 | R | 92.9 | Very high | 90.3 | Very high | 95 Ų | 95 | 72 Ų | 72 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 176.3 | -70.9 | -173.8 | 78.9 | 178.3 | -0.4 | 111.9 | A509 T510 S513 N515 P516 G522 Y523 | A509-R519 WeakPolarHBondContact O-CA 3.47Å; A509-R519 VanDerWaalsContact O-CG 3.29Å; A509-R519 WeakPolarHBondContact O-CG 3.28Å; T510-R519 PolarHBondContact O-NE 3.49Å; T510-R519 PolarHBondContact O-NH2 3.45Å; S513-R519 VanDerWaalsContact O-CD 3.23Å; S513-R519 WeakPolarHBondContact O-CD 3.45Å; S513-R519 WeakPolarHBondContact O-CG 3.37Å; N515-R519 VanDerWaalsContact O-CG 3.3Å; N515-R519 WeakPolarHBondContact O-CG 3.23Å; N515-R519 PolarHBondContact O-N 3.42Å; P516-R519 PolarHBondContact O-N 2.95Å; R519-G522 CarbonylContact O-C 3.57Å; R519-G522 PolarHBondContact O-N 3.45Å; R519-Y523 PolarHBondContact NH2-OH 3.11Å; R519-Y523 WeakPolarHBondContact O-CD2 3.38Å; R519-Y523 PolarHBondContact O-N 3Å |
| 520 | D | 93.1 | Very high | 90 | Very high | 97 Ų | 97 | 76 Ų | 76 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | -179.7 | -78.6 | -12.1 | 0 | 0 | 0 | 110.8 | P516 G522 Y523 I524 | P516-D520 WeakPolarHBondContact O-CB 3.47Å; P516-D520 PolarHBondContact O-N 3.27Å; D520-G522 VanDerWaalsContact C-N 3.31Å; D520-G522 PolarHBondContact O-N 3.43Å; D520-Y523 PolarHBondContact O-N 2.63Å; D520-I524 WeakPolarHBondContact O-CB 3.41Å; D520-I524 WeakPolarHBondContact O-CD1 3.4Å; D520-I524 WeakPolarHBondContact O-CG1 3.43Å; D520-I524 PolarHBondContact O-N 2.87Å |
| 521 | R | 93.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 79.5 Ų | 79.5 | 37% | 0.366 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 173.9 | -171.4 | 171.5 | -67.2 | -179.3 | 2.6 | 111.8 | L481 L484 D517 I524 Y525 | L481-R521 HydrophobicContact CD2-CB 4.3Å; L484-R521 HydrophobicContact CD2-CB 4.16Å; L484-R521 HydrophobicContact CD2-CG 3.98Å; D517-R521 VanDerWaalsContact O-CB 3.27Å; D517-R521 WeakPolarHBondContact O-CB 3.32Å; D517-R521 PolarHBondContact O-N 2.99Å; R521-I524 PolarHBondContact O-N 3.24Å; R521-Y525 HydrophobicContact CG-CD2 3.89Å; R521-Y525 HydrophobicContact CG-CE2 3.44Å; R521-Y525 VanDerWaalsContact CG-CE2 3.44Å; R521-Y525 WeakPolarHBondContact O-CD2 3.46Å; R521-Y525 PolarHBondContact O-N 3.09Å |
| 522 | G | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | L506 L518 R519 D520 I524 Y525 W526 | L506-G522 WeakPolarHBondContact CD2-O 3.29Å; L518-G522 PolarHBondContact O-N 3.13Å; R519-G522 CarbonylContact O-C 3.57Å; R519-G522 PolarHBondContact O-N 3.45Å; D520-G522 VanDerWaalsContact C-N 3.31Å; D520-G522 PolarHBondContact O-N 3.43Å; G522-I524 PolarHBondContact O-N 3.1Å; G522-Y525 PolarHBondContact O-N 3.16Å; G522-W526 WeakPolarHBondContact O-CB 3.33Å; G522-W526 PolarHBondContact O-N 2.84Å |
| 523 | Y | 92.9 | Very high | 89.2 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 176.5 | -76.7 | -56.9 | 0 | 0 | 0 | 112.8 | T510 R519 D520 W526 R527 | T510-Y523 HydrophobicContact CG2-CD1 3.87Å; T510-Y523 HydrophobicContact CG2-CD2 4.42Å; T510-Y523 HydrophobicContact CG2-CE1 3.86Å; T510-Y523 HydrophobicContact CG2-CE2 4.41Å; T510-Y523 HydrophobicContact CG2-CG 4.15Å; R519-Y523 PolarHBondContact NH2-OH 3.11Å; R519-Y523 WeakPolarHBondContact O-CD2 3.38Å; R519-Y523 PolarHBondContact O-N 3Å; D520-Y523 PolarHBondContact O-N 2.63Å; Y523-W526 HydrophobicContact CD1-CE3 4.07Å; Y523-W526 HydrophobicContact CD1-CZ3 4.5Å; Y523-W526 PolarHBondContact O-N 3.14Å; Y523-R527 WeakPolarHBondContact O-CB 3.3Å; Y523-R527 WeakPolarHBondContact O-CG 3.4Å; Y523-R527 PolarHBondContact O-N 3.26Å |
| 524 | I | 91.1 | Very high | 89 | Confident | 94 Ų | 94 | 79 Ų | 79 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 175 | -71.8 | 164.5 | 0 | 0 | 0 | 109.9 | D520 R521 G522 R527 L528 | D520-I524 WeakPolarHBondContact O-CB 3.41Å; D520-I524 WeakPolarHBondContact O-CD1 3.4Å; D520-I524 WeakPolarHBondContact O-CG1 3.43Å; D520-I524 PolarHBondContact O-N 2.87Å; R521-I524 PolarHBondContact O-N 3.24Å; G522-I524 PolarHBondContact O-N 3.1Å; I524-R527 PolarHBondContact O-N 2.89Å; I524-L528 HydrophobicContact CG2-CD1 3.78Å; I524-L528 HydrophobicContact CG2-CG 4.4Å; I524-L528 WeakPolarHBondContact O-CB 3.43Å; I524-L528 VanDerWaalsContact O-CG 3.32Å; I524-L528 WeakPolarHBondContact O-CG 3.25Å; I524-L528 PolarHBondContact O-N 3.07Å |
| 525 | Y | 91.3 | Very high | 88.9 | Confident | 28 Ų | 28 | 74 Ų | 74 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.7 | -69.6 | -38.3 | 0 | 0 | 0 | 112.2 | L484 T485 V488 R521 G522 R527 L528 L529 V540 | L484-Y525 HydrophobicContact CD1-CD2 4.13Å; L484-Y525 HydrophobicContact CD2-CD2 4Å; L484-Y525 HydrophobicContact CD2-CE2 4.24Å; L484-Y525 HydrophobicContact CG-CD2 3.79Å; L484-Y525 HydrophobicContact CG-CE2 3.97Å; T485-Y525 WeakPolarHBondContact CG2-OH 3.49Å; T485-Y525 PolarHBondContact OG1-OH 2.78Å; V488-Y525 HydrophobicContact CB-CD2 4.47Å; V488-Y525 HydrophobicContact CB-CG 4.49Å; V488-Y525 HydrophobicContact CG1-CD1 4.13Å; V488-Y525 HydrophobicContact CG1-CG 4.18Å; V488-Y525 HydrophobicContact CG2-CD2 3.86Å; V488-Y525 HydrophobicContact CG2-CE2 4.46Å; V488-Y525 HydrophobicContact CG2-CG 3.98Å; R521-Y525 HydrophobicContact CG-CD2 3.89Å; R521-Y525 HydrophobicContact CG-CE2 3.44Å; R521-Y525 VanDerWaalsContact CG-CE2 3.44Å; R521-Y525 WeakPolarHBondContact O-CD2 3.46Å; R521-Y525 PolarHBondContact O-N 3.09Å; G522-Y525 PolarHBondContact O-N 3.16Å; Y525-R527 VanDerWaalsContact C-N 3.34Å; Y525-R527 PolarHBondContact O-N 3.29Å; Y525-L528 PolarHBondContact O-N 2.9Å; Y525-L529 WeakPolarHBondContact O-CB 3.25Å; Y525-L529 VanDerWaalsContact O-CG 3.23Å; Y525-L529 WeakPolarHBondContact O-CG 3.31Å; Y525-L529 PolarHBondContact O-N 3.44Å; Y525-V540 HydrophobicContact CD1-CG2 3.94Å; Y525-V540 HydrophobicContact CE1-CG2 3.64Å |
| 526 | W | 89.6 | Confident | 88.6 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.7 | -178.5 | 56.1 | 0 | 0 | 0 | 112.3 | L506 G522 Y523 S530 | L506-W526 HydrophobicContact CD1-CB 4.23Å; L506-W526 HydrophobicContact CD2-CB 4.27Å; G522-W526 WeakPolarHBondContact O-CB 3.33Å; G522-W526 PolarHBondContact O-N 2.84Å; Y523-W526 HydrophobicContact CD1-CE3 4.07Å; Y523-W526 HydrophobicContact CD1-CZ3 4.5Å; Y523-W526 PolarHBondContact O-N 3.14Å; W526-S530 VanDerWaalsContact O-CB 3.24Å; W526-S530 WeakPolarHBondContact O-CB 3.47Å; W526-S530 PolarHBondContact O-N 3.09Å; W526-S530 PolarHBondContact O-OG 3.37Å |
| 527 | R | 89.6 | Confident | 88.2 | Confident | 168 Ų | 168 | 73.4 Ų | 73.4 | 63% | 0.634 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 177 | -72.3 | 174.2 | -172.9 | 175.2 | 6.1 | 112.2 | Y523 I524 Y525 S530 A531 | Y523-R527 WeakPolarHBondContact O-CB 3.3Å; Y523-R527 WeakPolarHBondContact O-CG 3.4Å; Y523-R527 PolarHBondContact O-N 3.26Å; I524-R527 PolarHBondContact O-N 2.89Å; Y525-R527 VanDerWaalsContact C-N 3.34Å; Y525-R527 PolarHBondContact O-N 3.29Å; R527-S530 PolarHBondContact O-N 2.68Å; R527-A531 WeakPolarHBondContact O-CB 3.34Å; R527-A531 PolarHBondContact O-N 3.13Å |
| 528 | L | 87.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 177.4 | -77.3 | 171.6 | 0 | 0 | 0 | 111.3 | I524 Y525 S530 A531 D532 T535 A536 V539 | I524-L528 HydrophobicContact CG2-CD1 3.78Å; I524-L528 HydrophobicContact CG2-CG 4.4Å; I524-L528 WeakPolarHBondContact O-CB 3.43Å; I524-L528 VanDerWaalsContact O-CG 3.32Å; I524-L528 WeakPolarHBondContact O-CG 3.25Å; I524-L528 PolarHBondContact O-N 3.07Å; Y525-L528 PolarHBondContact O-N 2.9Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 3.39Å; L528-A531 PolarHBondContact O-N 3.23Å; L528-D532 CarbonylContact O-C 3.37Å; L528-D532 PolarHBondContact O-N 2.9Å; L528-D532 VanDerWaalsContact O-O 3.13Å; L528-T535 HydrophobicContact CD2-CG2 4.38Å; L528-A536 HydrophobicContact CB-CB 3.98Å; L528-V539 HydrophobicContact CD1-CG1 4.29Å |
| 529 | L | 85.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 78.9 Ų | 78.9 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 179.9 | -67.5 | 175.2 | 0 | 0 | 0 | 112.7 | V488 F491 L492 V502 L506 Y525 A536 | V488-L529 HydrophobicContact CG1-CD1 4.22Å; V488-L529 HydrophobicContact CG1-CD2 4.46Å; V488-L529 HydrophobicContact CG2-CD1 4.45Å; F491-L529 HydrophobicContact CD1-CD1 4.3Å; F491-L529 HydrophobicContact CD1-CD2 3.96Å; F491-L529 HydrophobicContact CE1-CD1 4.46Å; F491-L529 HydrophobicContact CE1-CD2 3.99Å; L492-L529 HydrophobicContact CD2-CD2 3.65Å; L492-L529 HydrophobicContact CG-CD2 4.1Å; V502-L529 HydrophobicContact CG1-CD1 3.97Å; L506-L529 HydrophobicContact CD1-CD1 4.39Å; Y525-L529 WeakPolarHBondContact O-CB 3.25Å; Y525-L529 VanDerWaalsContact O-CG 3.23Å; Y525-L529 WeakPolarHBondContact O-CG 3.31Å; Y525-L529 PolarHBondContact O-N 3.44Å; L529-A536 HydrophobicContact CD2-CB 4.06Å |
| 530 | S | 85.4 | Confident | 87.1 | Confident | 84 Ų | 84 | 75 Ų | 75 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -80.6 | -29.5 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 113.4 | W526 R527 L528 | W526-S530 VanDerWaalsContact O-CB 3.24Å; W526-S530 WeakPolarHBondContact O-CB 3.47Å; W526-S530 PolarHBondContact O-N 3.09Å; W526-S530 PolarHBondContact O-OG 3.37Å; R527-S530 PolarHBondContact O-N 2.68Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 3.39Å |
| 531 | A | 86.3 | Confident | 86.6 | Confident | 87 Ų | 87 | 72.8 Ų | 72.8 | 72% | 0.719 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -87.4 | -55 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R527 L528 | R527-A531 WeakPolarHBondContact O-CB 3.34Å; R527-A531 PolarHBondContact O-N 3.13Å; L528-A531 PolarHBondContact O-N 3.23Å |
| 532 | D | 85.5 | Confident | 86.1 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 32% | 0.316 | 37% | 0.372 | S | S | . | . | trans | -151 | 103.8 | -177.5 | -178.4 | 11.3 | 0 | 0 | 0 | 111.9 | L528 I534 T535 A536 | L528-D532 CarbonylContact O-C 3.37Å; L528-D532 PolarHBondContact O-N 2.9Å; L528-D532 VanDerWaalsContact O-O 3.13Å; D532-I534 PolarHBondContact O-N 2.74Å; D532-I534 WeakPolarHBondContact OD1-CB 3.42Å; D532-I534 PolarHBondContact OD1-N 2.92Å; D532-T535 PolarHBondContact O-N 3.01Å; D532-T535 VanDerWaalsContact OD2-CB 3.3Å; D532-T535 WeakPolarHBondContact OD2-CB 3.26Å; D532-T535 PolarHBondContact OD2-N 3.3Å; D532-T535 PolarHBondContact OD2-OG1 3.09Å; D532-A536 WeakPolarHBondContact O-CB 3.27Å; D532-A536 PolarHBondContact O-N 3.42Å | ||
| 533 | P | 78.6 | Confident | 85.2 | Confident | 79 Ų | 79 | 80 Ų | 80 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -24 | 178.8 | 26.8 | -34.2 | 0 | 0 | 0 | 113.3 | K537 | P533-K537 WeakPolarHBondContact O-CB 3.28Å; P533-K537 PolarHBondContact O-N 2.74Å |
| 534 | I | 82.9 | Confident | 84.4 | Confident | 115 Ų | 115 | 80 Ų | 80 | 59% | 0.59 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.5 | -53.6 | 178.1 | -59.3 | 173.5 | 0 | 0 | 0 | 108.9 | D532 A536 K537 E538 | D532-I534 PolarHBondContact O-N 2.74Å; D532-I534 WeakPolarHBondContact OD1-CB 3.42Å; D532-I534 PolarHBondContact OD1-N 2.92Å; I534-A536 VanDerWaalsContact C-N 3.27Å; I534-A536 PolarHBondContact O-N 3.12Å; I534-K537 WeakPolarHBondContact O-CB 3.32Å; I534-K537 PolarHBondContact O-N 2.75Å; I534-E538 PolarHBondContact O-N 2.98Å |
| 535 | T | 84 | Confident | 83.7 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 34% | 0.337 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 174.3 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | L528 D532 K537 E538 V539 | L528-T535 HydrophobicContact CD2-CG2 4.38Å; D532-T535 PolarHBondContact O-N 3.01Å; D532-T535 VanDerWaalsContact OD2-CB 3.3Å; D532-T535 WeakPolarHBondContact OD2-CB 3.26Å; D532-T535 PolarHBondContact OD2-N 3.3Å; D532-T535 PolarHBondContact OD2-OG1 3.09Å; T535-K537 VanDerWaalsContact C-N 3.3Å; T535-K537 PolarHBondContact O-N 3.44Å; T535-E538 PolarHBondContact O-N 3.06Å; T535-V539 HydrophobicContact CG2-CG2 4.16Å; T535-V539 WeakPolarHBondContact O-CG2 3.37Å; T535-V539 PolarHBondContact O-N 3.4Å |
| 536 | A | 83.8 | Confident | 82.8 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.008 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L492 L528 L529 D532 I534 V539 V540 | L492-A536 HydrophobicContact CD2-CB 4.12Å; L528-A536 HydrophobicContact CB-CB 3.98Å; L529-A536 HydrophobicContact CD2-CB 4.06Å; D532-A536 WeakPolarHBondContact O-CB 3.27Å; D532-A536 PolarHBondContact O-N 3.42Å; I534-A536 VanDerWaalsContact C-N 3.27Å; I534-A536 PolarHBondContact O-N 3.12Å; A536-V539 PolarHBondContact O-N 2.87Å; A536-V540 VanDerWaalsContact O-CB 3.26Å; A536-V540 WeakPolarHBondContact O-CB 3.32Å; A536-V540 WeakPolarHBondContact O-CG2 3.33Å; A536-V540 PolarHBondContact O-N 3.12Å |
| 537 | K | 83.6 | Confident | 81.9 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 47% | 0.47 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 176.1 | -166.8 | 175.4 | 179.7 | 170 | 0 | 111.8 | L492 P533 I534 T535 L541 | L492-K537 HydrophobicContact CD2-CB 4.46Å; P533-K537 WeakPolarHBondContact O-CB 3.28Å; P533-K537 PolarHBondContact O-N 2.74Å; I534-K537 WeakPolarHBondContact O-CB 3.32Å; I534-K537 PolarHBondContact O-N 2.75Å; T535-K537 VanDerWaalsContact C-N 3.3Å; T535-K537 PolarHBondContact O-N 3.44Å; K537-L541 HydrophobicContact CD-CD1 4.4Å; K537-L541 HydrophobicContact CG-CD1 3.64Å; K537-L541 HydrophobicContact CG-CG 4.3Å; K537-L541 VanDerWaalsContact O-CB 3.22Å; K537-L541 WeakPolarHBondContact O-CB 3.27Å; K537-L541 PolarHBondContact O-N 3.44Å |
| 538 | E | 83.8 | Confident | 80.7 | Confident | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 178.8 | -68.9 | -177.5 | 174.6 | 0 | 0 | 112.6 | I534 T535 A542 | I534-E538 PolarHBondContact O-N 2.98Å; T535-E538 PolarHBondContact O-N 3.06Å; E538-A542 WeakPolarHBondContact O-CB 3.49Å; E538-A542 PolarHBondContact O-N 3.29Å |
| 539 | V | 84.6 | Confident | 79.6 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.5 | -45.8 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L528 T535 A536 A542 | L528-V539 HydrophobicContact CD1-CG1 4.29Å; T535-V539 HydrophobicContact CG2-CG2 4.16Å; T535-V539 WeakPolarHBondContact O-CG2 3.37Å; T535-V539 PolarHBondContact O-N 3.4Å; A536-V539 PolarHBondContact O-N 2.87Å; V539-A542 WeakPolarHBondContact O-CB 3.39Å |
| 540 | V | 84.3 | Confident | 78 | Confident | 14 Ų | 14 | 82.6 Ų | 82.6 | 9% | 0.085 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -79.6 | -33.9 | -172.4 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | V488 K489 L492 Y525 A536 | V488-V540 HydrophobicContact CG1-CG1 4.2Å; V488-V540 HydrophobicContact CG1-CG2 4.31Å; K489-V540 WeakPolarHBondContact CE-O 3.19Å; K489-V540 HydrophobicContact CG-CG1 3.62Å; L492-V540 HydrophobicContact CD1-CB 3.63Å; L492-V540 HydrophobicContact CD1-CG1 3.9Å; L492-V540 HydrophobicContact CD1-CG2 3.97Å; Y525-V540 HydrophobicContact CD1-CG2 3.94Å; Y525-V540 HydrophobicContact CE1-CG2 3.64Å; A536-V540 VanDerWaalsContact O-CB 3.26Å; A536-V540 WeakPolarHBondContact O-CB 3.32Å; A536-V540 WeakPolarHBondContact O-CG2 3.33Å; A536-V540 PolarHBondContact O-N 3.12Å |
| 541 | L | 83.1 | Confident | 76.8 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 26% | 0.262 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 16.6 | 177.8 | -52.7 | -177.2 | 0 | 0 | 0 | 112.7 | K489 K493 K537 | K489-L541 HydrophobicContact CB-CD2 4.23Å; K489-L541 HydrophobicContact CD-CD2 4.38Å; K489-L541 HydrophobicContact CG-CD2 3.81Å; K493-L541 HydrophobicContact CG-CD1 4.25Å; K537-L541 HydrophobicContact CD-CD1 4.4Å; K537-L541 HydrophobicContact CG-CD1 3.64Å; K537-L541 HydrophobicContact CG-CG 4.3Å; K537-L541 VanDerWaalsContact O-CB 3.22Å; K537-L541 WeakPolarHBondContact O-CB 3.27Å; K537-L541 PolarHBondContact O-N 3.44Å |
| 542 | A | 81.8 | Confident | 75.9 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 144.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E538 V539 K544 | E538-A542 WeakPolarHBondContact O-CB 3.49Å; E538-A542 PolarHBondContact O-N 3.29Å; V539-A542 WeakPolarHBondContact O-CB 3.39Å; A542-K544 PolarHBondContact O-N 3.4Å |
| 543 | E | 74.8 | Confident | 75.5 | Confident | 197 Ų | 197 | 85.5 Ų | 85.5 | 92% | 0.921 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 132.3 | 173.3 | -69.4 | -173.1 | 171.8 | 0 | 0 | 110.3 | ||
| 544 | K | 74.9 | Confident | 75.7 | Confident | 67 Ų | 67 | 83.8 Ų | 83.8 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 149.7 | -178.7 | -67.1 | 174.8 | -165.7 | 143.3 | 0 | 110.4 | W449 E453 A542 L546 | W449-K544 HydrophobicContact CZ2-CD 3.94Å; W449-K544 VanDerWaalsContact NE1-NZ 3.12Å; E453-K544 IonicContact OE1-NZ 3.93Å; E453-K544 PolarHBondContact OE1-NZ 2.86Å; E453-K544 IonicContact OE2-NZ 3.97Å; E453-K544 PolarHBondContact OE2-NZ 2.9Å; A542-K544 PolarHBondContact O-N 3.4Å; K544-L546 PolarHBondContact O-N 2.89Å |
| 545 | P | 76.1 | Confident | 75.9 | Confident | 99 Ų | 99 | 84.8 Ų | 84.8 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 132.7 | 170.8 | 25.6 | -33 | 0 | 0 | 0 | 109.8 | R418 | R418-P545 PolarHBondContact NH2-O 2.84Š|
| 546 | L | 73.5 | Confident | 76 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 141.9 | 173.1 | -60.4 | 176.9 | 0 | 0 | 0 | 109.1 | R418 K544 | R418-L546 WeakPolarHBondContact O-CD2 3.38Å; K544-L546 PolarHBondContact O-N 2.89Å |
| 547 | I | 71.7 | Confident | 76.2 | Confident | 35 Ų | 35 | 90.6 Ų | 90.6 | 18% | 0.179 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 132.7 | 174.1 | -60.2 | 177 | 0 | 0 | 0 | 108.6 | I381 D415 R418 K419 | I381-I547 HydrophobicContact CD1-CG2 4.47Å; D415-I547 HydrophobicContact CB-CD1 3.7Å; R418-I547 HydrophobicContact CB-CD1 3.78Å; R418-I547 HydrophobicContact CB-CG1 4.08Å; R418-I547 HydrophobicContact CG-CD1 4.46Å; K419-I547 WeakPolarHBondContact CD-O 3.35Å; K419-I547 PolarHBondContact NZ-O 2.68Å |
| 548 | S | 64.2 | Low | 76.5 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | trans | -105.9 | 156.3 | 174 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | E550 | S548-E550 VanDerWaalsContact C-N 3.26Å; S548-E550 PolarHBondContact O-N 3.35Å | ||
| 549 | E | 62.5 | Low | 76.8 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -67.6 | -25.6 | 176.8 | -175.6 | -178.9 | 178.7 | 0 | 0 | 112.7 | K382 T551 | K382-E549 VanDerWaalsContact CD-OE1 3.28Å; K382-E549 WeakPolarHBondContact CD-OE1 3.27Å; K382-E549 VanDerWaalsContact CE-OE1 3.26Å; K382-E549 WeakPolarHBondContact CE-OE1 3.43Å; K382-E549 VanDerWaalsContact CG-OE1 3.32Å; K382-E549 WeakPolarHBondContact CG-OE1 3.48Å; E549-T551 PolarHBondContact O-N 3.08Å |
| 550 | E | 53.9 | Low | 77.1 | Confident | 147 Ų | 147 | 80.5 Ų | 80.5 | 69% | 0.687 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -62.1 | -11.9 | -161.9 | -64.7 | 177.5 | 164.4 | 0 | 0 | 115.6 | S548 D552 L553 | S548-E550 VanDerWaalsContact C-N 3.26Å; S548-E550 PolarHBondContact O-N 3.35Å; E550-D552 PolarHBondContact O-N 3.45Å; E550-D552 VanDerWaalsContact O-N 3.1Å; E550-L553 PolarHBondContact O-N 3Å |
| 551 | T | 58.5 | Low | 77.4 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 72% | 0.724 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -64.1 | -20.9 | -172.1 | -44.6 | 0 | 0 | 0 | 0 | 113.6 | E549 | E549-T551 PolarHBondContact O-N 3.08Š|
| 552 | D | 67.8 | Low | 77.8 | Confident | 79 Ų | 79 | 81.2 Ų | 81.2 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -110.3 | 9.2 | -173.8 | -60.3 | -46.1 | 0 | 0 | 0 | 114.8 | R343 R378 E550 | R343-D552 PolarHBondContact NH1-O 2.78Å; R343-D552 PolarHBondContact NH2-O 3.37Å; R378-D552 IonicContact CZ-OD2 2.67Å; R378-D552 IonicContact NE-OD2 2.76Å; R378-D552 PolarHBondContact NE-OD2 3.48Å; R378-D552 VanDerWaalsContact NE-OD2 3.14Å; R378-D552 VanDerWaalsContact NH2-CG 3.26Å; R378-D552 IonicContact NH2-OD2 3Å; R378-D552 PolarHBondContact NH2-OD2 3.28Å; E550-D552 PolarHBondContact O-N 3.45Å; E550-D552 VanDerWaalsContact O-N 3.1Å |
| 553 | L | 77 | Confident | 78.3 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -90.1 | 140.7 | 175 | -66.2 | 172.8 | 0 | 0 | 0 | 110.1 | Q310 E550 | Q310-L553 HydrophobicContact CG-CD2 4.38Å; E550-L553 PolarHBondContact O-N 3Å |
| 554 | L | 83.7 | Confident | 79 | Confident | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -70 | 144.3 | 169 | -66.9 | 171.4 | 0 | 0 | 0 | 109.2 | L307 L558 L559 L562 | L307-L554 HydrophobicContact CD2-CD1 3.44Å; L307-L554 VanDerWaalsContact CD2-CD1 3.44Å; L554-L558 HydrophobicContact CD2-CD2 4.11Å; L554-L559 HydrophobicContact CB-CB 4.47Å; L554-L562 HydrophobicContact CD1-CD1 3.9Å |
| 555 | E | 86.5 | Confident | 79.8 | Confident | 136 Ų | 136 | 70.4 Ų | 70.4 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 133.7 | 170.9 | -75.5 | -63.7 | 142.5 | 0 | 0 | 110 | S557 L558 L559 | E555-S557 PolarHBondContact O-N 3.28Å; E555-S557 VanDerWaalsContact O-N 3.14Å; E555-L558 HydrophobicContact CB-CB 4.27Å; E555-L558 WeakPolarHBondContact O-CB 3.41Å; E555-L558 PolarHBondContact O-N 3.37Å; E555-L559 PolarHBondContact O-N 2.97Å |
| 556 | P | 86.2 | Confident | 80.7 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.1 | -37.2 | -173.9 | -29.1 | 35.3 | 0 | 0 | 0 | 114.1 | L559 D560 | P556-L559 PolarHBondContact O-N 3.25Å; P556-D560 VanDerWaalsContact O-CG 3.24Å; P556-D560 PolarHBondContact O-N 3.29Å |
| 557 | S | 88.8 | Confident | 81.4 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 62% | 0.622 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 177 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | E555 D560 E561 | E555-S557 PolarHBondContact O-N 3.28Å; E555-S557 VanDerWaalsContact O-N 3.14Å; S557-D560 PolarHBondContact O-N 2.63Å; S557-E561 PolarHBondContact O-N 3.31Å; S557-E561 VanDerWaalsContact O-N 3.15Å |
| 558 | L | 89.7 | Confident | 82.3 | Confident | 42 Ų | 42 | 63 Ų | 63 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 176 | 176.9 | 61.4 | 0 | 0 | 0 | 110.7 | L554 E555 E561 L562 P576 | L554-L558 HydrophobicContact CD2-CD2 4.11Å; E555-L558 HydrophobicContact CB-CB 4.27Å; E555-L558 WeakPolarHBondContact O-CB 3.41Å; E555-L558 PolarHBondContact O-N 3.37Å; L558-E561 PolarHBondContact O-N 2.98Å; L558-L562 HydrophobicContact CD1-CD1 4.07Å; L558-L562 HydrophobicContact CD1-CG 4.05Å; L558-L562 HydrophobicContact CG-CD1 3.9Å; L558-L562 HydrophobicContact CG-CG 4.31Å; L558-L562 WeakPolarHBondContact O-CB 3.5Å; L558-L562 VanDerWaalsContact O-CG 3.24Å; L558-L562 WeakPolarHBondContact O-CG 3.42Å; L558-L562 PolarHBondContact O-N 3.45Å; L558-P576 HydrophobicContact CD1-CB 4.26Å; L558-P576 HydrophobicContact CD1-CG 4.25Å |
| 559 | L | 90.1 | Very high | 83.6 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.4 | -178.9 | 60.6 | 0 | 0 | 0 | 111 | L307 Q310 K311 L554 E555 P556 E561 L562 I563 | L307-L559 HydrophobicContact CB-CD1 4.21Å; L307-L559 HydrophobicContact CD2-CD1 3.94Å; Q310-L559 HydrophobicContact CB-CD1 4.17Å; Q310-L559 HydrophobicContact CB-CD2 3.89Å; K311-L559 HydrophobicContact CB-CD2 4.19Å; K311-L559 HydrophobicContact CD-CD2 4.38Å; L554-L559 HydrophobicContact CB-CB 4.47Å; E555-L559 PolarHBondContact O-N 2.97Å; P556-L559 PolarHBondContact O-N 3.25Å; L559-E561 VanDerWaalsContact C-N 3.32Å; L559-E561 PolarHBondContact O-N 3.48Å; L559-L562 PolarHBondContact O-N 2.71Å; L559-I563 HydrophobicContact CD1-CD1 4.47Å; L559-I563 HydrophobicContact CD1-CG1 4.23Å; L559-I563 HydrophobicContact CG-CG1 4.4Å; L559-I563 VanDerWaalsContact O-CG1 3.24Å; L559-I563 WeakPolarHBondContact O-CG1 3.44Å; L559-I563 PolarHBondContact O-N 2.94Å |
| 560 | D | 89.8 | Confident | 84.9 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 179.2 | -68.9 | -6.8 | 0 | 0 | 0 | 112.3 | K311 P556 S557 S564 | K311-D560 IonicContact NZ-OD1 2.74Å; K311-D560 PolarHBondContact NZ-OD1 3.3Å; K311-D560 IonicContact NZ-OD2 3.01Å; P556-D560 VanDerWaalsContact O-CG 3.24Å; P556-D560 PolarHBondContact O-N 3.29Å; S557-D560 PolarHBondContact O-N 2.63Å; D560-S564 PolarHBondContact O-N 3.45Å; D560-S564 PolarHBondContact O-OG 2.89Å |
| 561 | E | 90.4 | Very high | 86.8 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 172.6 | -172.1 | -178.7 | 169.2 | 0 | 0 | 111.3 | S557 L558 L559 I563 S564 H565 P576 P577 | S557-E561 PolarHBondContact O-N 3.31Å; S557-E561 VanDerWaalsContact O-N 3.15Å; L558-E561 PolarHBondContact O-N 2.98Å; L559-E561 VanDerWaalsContact C-N 3.32Å; L559-E561 PolarHBondContact O-N 3.48Å; E561-I563 VanDerWaalsContact C-N 3.35Å; E561-I563 PolarHBondContact O-N 2.95Å; E561-S564 WeakPolarHBondContact O-CA 3.24Å; E561-S564 VanDerWaalsContact O-CB 3.3Å; E561-S564 WeakPolarHBondContact O-CB 3.35Å; E561-S564 PolarHBondContact O-N 3.41Å; E561-H565 PolarHBondContact O-CD2 3.24Å; E561-H565 VanDerWaalsContact O-CD2 3.23Å; E561-H565 PolarHBondContact O-N 2.85Å; E561-P576 VanDerWaalsContact OE1-CB 3.32Å; E561-P576 WeakPolarHBondContact OE1-CB 3.49Å; E561-P577 WeakPolarHBondContact OE1-CD 3.44Å |
| 562 | L | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -32.3 | -178.1 | -70.2 | 174.3 | 0 | 0 | 0 | 113.3 | L307 L554 L558 L559 S564 H565 I566 A570 H574 K575 | L307-L562 HydrophobicContact CD1-CB 3.94Å; L307-L562 HydrophobicContact CD2-CB 4.26Å; L307-L562 HydrophobicContact CD2-CD1 3.99Å; L554-L562 HydrophobicContact CD1-CD1 3.9Å; L558-L562 HydrophobicContact CD1-CD1 4.07Å; L558-L562 HydrophobicContact CD1-CG 4.05Å; L558-L562 HydrophobicContact CG-CD1 3.9Å; L558-L562 HydrophobicContact CG-CG 4.31Å; L558-L562 WeakPolarHBondContact O-CB 3.5Å; L558-L562 VanDerWaalsContact O-CG 3.24Å; L558-L562 WeakPolarHBondContact O-CG 3.42Å; L558-L562 PolarHBondContact O-N 3.45Å; L559-L562 PolarHBondContact O-N 2.71Å; L562-S564 PolarHBondContact O-N 2.92Å; L562-H565 CarbonylContact O-C 3.6Å; L562-H565 WeakPolarHBondContact O-CA 3.19Å; L562-H565 PolarHBondContact O-N 3.21Å; L562-I566 PolarHBondContact O-N 3.08Å; L562-A570 HydrophobicContact CD2-CB 4.37Å; L562-A570 WeakPolarHBondContact CD2-O 3.39Å; L562-H574 HydrophobicContact CD1-CB 4.35Å; L562-K575 WeakPolarHBondContact CD2-O 3.49Å |
| 563 | I | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 171.9 | -69.8 | -65.4 | 0 | 0 | 0 | 110.5 | M263 L307 I308 K311 L559 E561 H565 I566 | M263-I563 HydrophobicContact CB-CG2 3.95Å; M263-I563 HydrophobicContact CE-CD1 4.14Å; L307-I563 HydrophobicContact CB-CD1 3.98Å; I308-I563 HydrophobicContact CG1-CD1 4.46Å; K311-I563 HydrophobicContact CB-CD1 4.19Å; K311-I563 HydrophobicContact CB-CG1 4.36Å; K311-I563 HydrophobicContact CG-CG1 4.48Å; L559-I563 HydrophobicContact CD1-CD1 4.47Å; L559-I563 HydrophobicContact CD1-CG1 4.23Å; L559-I563 HydrophobicContact CG-CG1 4.4Å; L559-I563 VanDerWaalsContact O-CG1 3.24Å; L559-I563 WeakPolarHBondContact O-CG1 3.44Å; L559-I563 PolarHBondContact O-N 2.94Å; E561-I563 VanDerWaalsContact C-N 3.35Å; E561-I563 PolarHBondContact O-N 2.95Å; I563-H565 PolarHBondContact O-N 2.9Å; I563-I566 HydrophobicContact CD1-CD1 3.97Å; I563-I566 HydrophobicContact CG2-CD1 4.18Å; I563-I566 WeakPolarHBondContact O-CD1 3.42Å; I563-I566 WeakPolarHBondContact O-CG1 3.35Å; I563-I566 PolarHBondContact O-N 2.85Å |
| 564 | S | 90.5 | Very high | 90.2 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.6 | 174.2 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | K260 K264 D560 E561 L562 | K260-S564 WeakPolarHBondContact CD-O 3.3Å; K264-S564 WeakPolarHBondContact CE-OG 3.27Å; D560-S564 PolarHBondContact O-N 3.45Å; D560-S564 PolarHBondContact O-OG 2.89Å; E561-S564 WeakPolarHBondContact O-CA 3.24Å; E561-S564 VanDerWaalsContact O-CB 3.3Å; E561-S564 WeakPolarHBondContact O-CB 3.35Å; E561-S564 PolarHBondContact O-N 3.41Å; L562-S564 PolarHBondContact O-N 2.92Å |
| 565 | H | 91.2 | Very high | 90.5 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 19.1 | -178.4 | -72.3 | -63.5 | 0 | 0 | 0 | 113.4 | E561 L562 I563 G567 T568 A570 S571 P577 | E561-H565 PolarHBondContact O-CD2 3.24Å; E561-H565 VanDerWaalsContact O-CD2 3.23Å; E561-H565 PolarHBondContact O-N 2.85Å; L562-H565 CarbonylContact O-C 3.6Å; L562-H565 WeakPolarHBondContact O-CA 3.19Å; L562-H565 PolarHBondContact O-N 3.21Å; I563-H565 PolarHBondContact O-N 2.9Å; H565-G567 PolarHBondContact O-N 3.24Å; H565-T568 WeakPolarHBondContact O-CB 3.42Å; H565-T568 WeakPolarHBondContact O-CG2 3.41Å; H565-T568 PolarHBondContact O-N 3.25Å; H565-T568 VanDerWaalsContact O-N 3.1Å; H565-T568 PolarHBondContact O-OG1 2.87Å; H565-A570 HydrophobicContact CB-CB 4.09Å; H565-S571 VanDerWaalsContact O-CB 3.31Å; H565-S571 WeakPolarHBondContact O-CB 3.5Å; H565-S571 PolarHBondContact O-OG 3.24Å; H565-P577 WeakPolarHBondContact NE2-CG 3.2Å |
| 566 | I | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 137.1 | 173.4 | -72.9 | 166.9 | 0 | 0 | 0 | 110.9 | L256 K260 M263 N304 I308 L562 I563 T568 | L256-I566 HydrophobicContact CB-CG2 4.29Å; L256-I566 HydrophobicContact CD2-CG2 4.27Å; L256-I566 WeakPolarHBondContact O-CG2 3.42Å; K260-I566 HydrophobicContact CB-CB 3.91Å; K260-I566 HydrophobicContact CB-CG2 4.16Å; K260-I566 HydrophobicContact CD-CB 4.47Å; K260-I566 WeakPolarHBondContact CD-O 3.39Å; K260-I566 HydrophobicContact CG-CB 4.25Å; K260-I566 PolarHBondContact NZ-O 3.42Å; M263-I566 HydrophobicContact CG-CD1 4.39Å; N304-I566 WeakPolarHBondContact OD1-CA 3.29Å; I308-I566 HydrophobicContact CD1-CD1 4.21Å; I308-I566 HydrophobicContact CG1-CD1 3.9Å; L562-I566 PolarHBondContact O-N 3.08Å; I563-I566 HydrophobicContact CD1-CD1 3.97Å; I563-I566 HydrophobicContact CG2-CD1 4.18Å; I563-I566 WeakPolarHBondContact O-CD1 3.42Å; I563-I566 WeakPolarHBondContact O-CG1 3.35Å; I563-I566 PolarHBondContact O-N 2.85Å; I566-T568 VanDerWaalsContact C-N 3.33Å |
| 567 | G | 88.6 | Confident | 90.3 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | N304 H565 S571 | N304-G567 PolarHBondContact OD1-N 2.87Å; H565-G567 PolarHBondContact O-N 3.24Å; G567-S571 PolarHBondContact N-OG 2.65Å |
| 568 | T | 91.6 | Very high | 90 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -112.5 | 171.6 | 178.3 | 75.6 | 0 | 0 | 0 | 0 | 112 | H565 I566 A570 S571 V572 | H565-T568 WeakPolarHBondContact O-CB 3.42Å; H565-T568 WeakPolarHBondContact O-CG2 3.41Å; H565-T568 PolarHBondContact O-N 3.25Å; H565-T568 VanDerWaalsContact O-N 3.1Å; H565-T568 PolarHBondContact O-OG1 2.87Å; I566-T568 VanDerWaalsContact C-N 3.33Å; T568-A570 PolarHBondContact O-N 3.22Å; T568-A570 PolarHBondContact OG1-N 3.12Å; T568-S571 PolarHBondContact O-N 2.91Å; T568-S571 PolarHBondContact O-OG 2.97Å; T568-V572 WeakPolarHBondContact O-CG2 3.36Å; T568-V572 PolarHBondContact O-N 3.38Å |
| 569 | L | 90.4 | Very high | 89.7 | Confident | 115 Ų | 115 | 44.2 Ų | 44.2 | 60% | 0.602 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.1 | -32.9 | 175.2 | -70 | 174.2 | 0 | 0 | 0 | 113 | S571 V572 Y573 | L569-S571 VanDerWaalsContact C-N 3.34Å; L569-S571 PolarHBondContact O-N 3.41Å; L569-V572 PolarHBondContact O-N 3.15Å; L569-Y573 HydrophobicContact CB-CD2 4.19Å; L569-Y573 HydrophobicContact CB-CE2 4.26Å; L569-Y573 HydrophobicContact CD2-CE2 4.02Å; L569-Y573 WeakPolarHBondContact O-CD2 3.31Å; L569-Y573 PolarHBondContact O-N 3.11Å |
| 570 | A | 90.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L562 H565 T568 V572 H574 K575 P577 | L562-A570 HydrophobicContact CD2-CB 4.37Å; L562-A570 WeakPolarHBondContact CD2-O 3.39Å; H565-A570 HydrophobicContact CB-CB 4.09Å; T568-A570 PolarHBondContact O-N 3.22Å; T568-A570 PolarHBondContact OG1-N 3.12Å; A570-V572 VanDerWaalsContact C-N 3.35Å; A570-H574 WeakPolarHBondContact O-CA 3.32Å; A570-H574 PolarHBondContact O-N 2.91Å; A570-K575 WeakPolarHBondContact CA-O 3.26Å; A570-K575 VanDerWaalsContact CB-O 3.28Å; A570-K575 WeakPolarHBondContact CB-O 3.19Å; A570-K575 PolarHBondContact O-N 3.43Å; A570-K575 VanDerWaalsContact O-N 3.14Å; A570-P577 HydrophobicContact CB-CG 3.95Å |
| 571 | S | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.5 | -25.4 | 177.7 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | N304 H565 G567 T568 L569 H574 | N304-S571 VanDerWaalsContact OD1-CB 3.28Å; N304-S571 WeakPolarHBondContact OD1-CB 3.17Å; N304-S571 PolarHBondContact OD1-OG 3.15Å; H565-S571 VanDerWaalsContact O-CB 3.31Å; H565-S571 WeakPolarHBondContact O-CB 3.5Å; H565-S571 PolarHBondContact O-OG 3.24Å; G567-S571 PolarHBondContact N-OG 2.65Å; T568-S571 PolarHBondContact O-N 2.91Å; T568-S571 PolarHBondContact O-OG 2.97Å; L569-S571 VanDerWaalsContact C-N 3.34Å; L569-S571 PolarHBondContact O-N 3.41Å; S571-H574 PolarHBondContact O-CD2 3.19Å; S571-H574 PolarHBondContact O-NE2 3.47Å |
| 572 | V | 92.5 | Very high | 86.8 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.8 | -43.3 | 173.9 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | Y299 V300 R303 T568 L569 A570 H574 | Y299-V572 HydrophobicContact CE1-CG1 4.1Å; V300-V572 HydrophobicContact CB-CG2 4.36Å; V300-V572 HydrophobicContact CG1-CG2 3.87Å; V300-V572 HydrophobicContact CG2-CG2 4.15Å; R303-V572 VanDerWaalsContact CD-O 3.3Å; R303-V572 WeakPolarHBondContact CD-O 3.27Å; R303-V572 HydrophobicContact CG-CG1 4.31Å; R303-V572 PolarHBondContact NE-O 3.39Å; R303-V572 PolarHBondContact NH1-O 2.89Å; T568-V572 WeakPolarHBondContact O-CG2 3.36Å; T568-V572 PolarHBondContact O-N 3.38Å; L569-V572 PolarHBondContact O-N 3.15Å; A570-V572 VanDerWaalsContact C-N 3.35Å; V572-H574 VanDerWaalsContact C-N 3.33Å |
| 573 | Y | 91.9 | Very high | 84.9 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 48% | 0.475 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -83.8 | -7.6 | -179.8 | -72 | -60.7 | 0 | 0 | 0 | 114.2 | L569 K575 F580 | L569-Y573 HydrophobicContact CB-CD2 4.19Å; L569-Y573 HydrophobicContact CB-CE2 4.26Å; L569-Y573 HydrophobicContact CD2-CE2 4.02Å; L569-Y573 WeakPolarHBondContact O-CD2 3.31Å; L569-Y573 PolarHBondContact O-N 3.11Å; Y573-K575 PolarHBondContact O-N 3.38Å; Y573-F580 AromaticContact CD2-CE1 3.68Å; Y573-F580 HydrophobicContact CD2-CE1 3.68Å; Y573-F580 AromaticContact CD2-CZ 3.61Å; Y573-F580 HydrophobicContact CD2-CZ 3.61Å; Y573-F580 HydrophobicContact CE2-CE1 4.25Å; Y573-F580 HydrophobicContact CG-CE1 4.18Å; Y573-F580 AromaticContact CG-CZ 3.91Å; Y573-F580 HydrophobicContact CG-CZ 3.91Å |
| 574 | H | 91.8 | Very high | 82.9 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.8 | -172 | -58.5 | 155.6 | 0 | 0 | 0 | 112.3 | R303 L562 A570 S571 V572 | R303-H574 PolarHBondContact NH1-ND1 3.37Å; R303-H574 PolarHBondContact O-NE2 3.45Å; L562-H574 HydrophobicContact CD1-CB 4.35Å; A570-H574 WeakPolarHBondContact O-CA 3.32Å; A570-H574 PolarHBondContact O-N 2.91Å; S571-H574 PolarHBondContact O-CD2 3.19Å; S571-H574 PolarHBondContact O-NE2 3.47Å; V572-H574 VanDerWaalsContact C-N 3.33Å |
| 575 | K | 89.7 | Confident | 81 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -134.4 | 145.1 | 179.4 | -70.2 | -178.1 | -177.1 | -175.9 | 0 | 110.3 | L562 A570 Y573 V579 F580 | L562-K575 WeakPolarHBondContact CD2-O 3.49Å; A570-K575 WeakPolarHBondContact CA-O 3.26Å; A570-K575 VanDerWaalsContact CB-O 3.28Å; A570-K575 WeakPolarHBondContact CB-O 3.19Å; A570-K575 PolarHBondContact O-N 3.43Å; A570-K575 VanDerWaalsContact O-N 3.14Å; Y573-K575 PolarHBondContact O-N 3.38Å; K575-V579 HydrophobicContact CD-CG1 4.36Å; K575-F580 HydrophobicContact CB-CE2 3.84Å; K575-F580 HydrophobicContact CB-CZ 3.79Å; K575-F580 HydrophobicContact CD-CZ 4.29Å |
| 576 | P | 86.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | trans | -66.5 | 149.6 | -179.6 | 26.7 | -31 | 0 | 0 | 0 | 110.6 | L558 E561 A578 V579 | L558-P576 HydrophobicContact CD1-CB 4.26Å; L558-P576 HydrophobicContact CD1-CG 4.25Å; E561-P576 VanDerWaalsContact OE1-CB 3.32Å; E561-P576 WeakPolarHBondContact OE1-CB 3.49Å; P576-A578 PolarHBondContact O-N 3.17Å; P576-V579 HydrophobicContact CG-CG2 3.97Å; P576-V579 PolarHBondContact O-N 3.01Å | ||
| 577 | P | 82.3 | Confident | 75.9 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -53.9 | -31 | -179.2 | -25.6 | 33.2 | 0 | 0 | 0 | 113.7 | E561 H565 A570 V579 F580 L581 | E561-P577 WeakPolarHBondContact OE1-CD 3.44Å; H565-P577 WeakPolarHBondContact NE2-CG 3.2Å; A570-P577 HydrophobicContact CB-CG 3.95Å; P577-V579 PolarHBondContact O-N 3.31Å; P577-F580 PolarHBondContact O-N 2.82Å; P577-L581 HydrophobicContact CB-CD1 4.16Å; P577-L581 WeakPolarHBondContact O-CG 3.37Å; P577-L581 PolarHBondContact O-N 2.86Å; P577-L581 VanDerWaalsContact O-N 3.09Å |
| 578 | A | 81.2 | Confident | 73.4 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -57.1 | -21.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P576 T586 | P576-A578 PolarHBondContact O-N 3.17Å; A578-T586 HydrophobicContact CB-CG2 3.74Å |
| 579 | V | 83.1 | Confident | 70.7 | Confident | 93 Ų | 93 | 76.4 Ų | 76.4 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -78.1 | -25.5 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | K575 P576 P577 | K575-V579 HydrophobicContact CD-CG1 4.36Å; P576-V579 HydrophobicContact CG-CG2 3.97Å; P576-V579 PolarHBondContact O-N 3.01Å; P577-V579 PolarHBondContact O-N 3.31Å |
| 580 | F | 78.1 | Confident | 67.7 | Low | 95 Ų | 95 | 75.6 Ų | 75.6 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -23.8 | -178.4 | -51.1 | -78.2 | 0 | 0 | 0 | 112.6 | Y573 K575 P577 | Y573-F580 AromaticContact CD2-CE1 3.68Å; Y573-F580 HydrophobicContact CD2-CE1 3.68Å; Y573-F580 AromaticContact CD2-CZ 3.61Å; Y573-F580 HydrophobicContact CD2-CZ 3.61Å; Y573-F580 HydrophobicContact CE2-CE1 4.25Å; Y573-F580 HydrophobicContact CG-CE1 4.18Å; Y573-F580 AromaticContact CG-CZ 3.91Å; Y573-F580 HydrophobicContact CG-CZ 3.91Å; K575-F580 HydrophobicContact CB-CE2 3.84Å; K575-F580 HydrophobicContact CB-CZ 3.79Å; K575-F580 HydrophobicContact CD-CZ 4.29Å; P577-F580 PolarHBondContact O-N 2.82Å |
| 581 | L | 71.8 | Confident | 64.8 | Low | 87 Ų | 87 | 81.6 Ų | 81.6 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -96.8 | 137.8 | -177.4 | -61.2 | 175.5 | 0 | 0 | 0 | 110.1 | P577 | P577-L581 HydrophobicContact CB-CD1 4.16Å; P577-L581 WeakPolarHBondContact O-CG 3.37Å; P577-L581 PolarHBondContact O-N 2.86Å; P577-L581 VanDerWaalsContact O-N 3.09Å |
| 582 | D | 60.9 | Low | 61.8 | Low | 123 Ų | 123 | 87.7 Ų | 87.7 | 66% | 0.658 | 48% | 0.475 | S | S | * | . | trans | -59 | 143 | 172.7 | -120.5 | -27.9 | 0 | 0 | 0 | 110.4 | S584 F585 | D582-S584 PolarHBondContact O-N 3.38Å; D582-F585 HydrophobicContact CB-CD2 4.37Å; D582-F585 PolarHBondContact O-N 3.38Å | ||
| 583 | S | 51.4 | Low | 58.7 | Low | 81 Ų | 81 | 91.3 Ų | 91.3 | 57% | 0.566 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.9 | -18.1 | -173.3 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | F585 T586 T587 | S583-F585 PolarHBondContact O-N 3.43Å; S583-T586 WeakPolarHBondContact CA-OG1 3.28Å; S583-T586 PolarHBondContact O-N 3.2Å; S583-T586 PolarHBondContact O-OG1 2.87Å; S583-T587 PolarHBondContact O-N 2.96Å; S583-T587 PolarHBondContact O-OG1 3.37Å |
| 584 | S | 51 | Low | 55.6 | Low | 70 Ų | 70 | 94.5 Ų | 94.5 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -24 | 172.1 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | D582 | D582-S584 PolarHBondContact O-N 3.38Å |
| 585 | F | 48.6 | Very low | 52.4 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -86.2 | -37.4 | 173.6 | -71.5 | -83.5 | 0 | 0 | 0 | 112.1 | D582 S583 | D582-F585 HydrophobicContact CB-CD2 4.37Å; D582-F585 PolarHBondContact O-N 3.38Å; S583-F585 PolarHBondContact O-N 3.43Å |
| 586 | T | 42 | Very low | 49.5 | Very low | 49 Ų | 49 | 103.5 Ų | 103.5 | 30% | 0.301 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.5 | -28.1 | -177.6 | 38.4 | 0 | 0 | 0 | 0 | 114.2 | A578 S583 R588 K589 | A578-T586 HydrophobicContact CB-CG2 3.74Å; S583-T586 WeakPolarHBondContact CA-OG1 3.28Å; S583-T586 PolarHBondContact O-N 3.2Å; S583-T586 PolarHBondContact O-OG1 2.87Å; T586-R588 PolarHBondContact O-N 3.5Å; T586-K589 PolarHBondContact O-N 2.94Å |
| 587 | T | 36.4 | Very low | 46.6 | Very low | 100 Ų | 100 | 105.8 Ų | 105.8 | 61% | 0.613 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -17.4 | 174.4 | 21.3 | 0 | 0 | 0 | 0 | 113 | S583 | S583-T587 PolarHBondContact O-N 2.96Å; S583-T587 PolarHBondContact O-OG1 3.37Å |
| 588 | R | 37.7 | Very low | 43.8 | Very low | 128 Ų | 128 | 109.3 Ų | 109.3 | 48% | 0.483 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -19 | 176.8 | -61.9 | -174 | -177.8 | 171.7 | 4.3 | 114.7 | M190 T586 | M190-R588 WeakPolarHBondContact O-CD 3.25Å; M190-R588 PolarHBondContact O-NH1 3.3Å; T586-R588 PolarHBondContact O-N 3.5Å |
| 589 | K | 33.7 | Very low | 41.2 | Very low | 156 Ų | 156 | 112.4 Ų | 112.4 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -17 | 177.8 | -91.2 | -174.1 | 176.9 | 175.4 | 0 | 115 | T586 V591 | T586-K589 PolarHBondContact O-N 2.94Å; K589-V591 VanDerWaalsContact C-N 3.29Å; K589-V591 PolarHBondContact O-N 2.87Å |
| 590 | S | 28.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -1.3 | -168.2 | -171.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 591 | V | 29.3 | Very low | 36 | Very low | 130 Ų | 130 | 116.6 Ų | 116.6 | 79% | 0.788 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -8.6 | -172.2 | -175 | 0 | 0 | 0 | 0 | 114.4 | K589 | K589-V591 VanDerWaalsContact C-N 3.29Å; K589-V591 PolarHBondContact O-N 2.87Å |
| 592 | T | 28.7 | Very low | 33.8 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -100.6 | 7.4 | -178.2 | 49.4 | 0 | 0 | 0 | 0 | 115.4 | K594 | T592-K594 PolarHBondContact O-N 3.33Å; T592-K594 VanDerWaalsContact O-N 3.11Å | ||
| 593 | A | 28.1 | Very low | 32.2 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -78 | 96 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 594 | K | 26.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 123 Ų | 123 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 56.6 | 94.5 | 164.8 | -78.3 | 178.8 | 173.9 | 173.5 | 0 | 116.4 | T592 T596 | T592-K594 PolarHBondContact O-N 3.33Å; T592-K594 VanDerWaalsContact O-N 3.11Å; K594-T596 PolarHBondContact O-N 3.02Å | ||
| 595 | E | 24.6 | Very low | 29.6 | Very low | 201 Ų | 201 | 129.1 Ų | 129.1 | 94% | 0.939 | 75% | 0.747 | S | S | * | * | trans | -59.3 | 95.4 | 157.6 | -65.8 | -179 | 157.7 | 0 | 0 | 110.9 | ||||
| 596 | T | 29.1 | Very low | 28.5 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -135.6 | 99.4 | 155.7 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | K594 | K594-T596 PolarHBondContact O-N 3.02Š| ||
| 597 | G | 25.7 | Very low | 27.7 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 84.8 | 94.2 | 157 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 598 | A | 23.6 | Very low | 27.4 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -66.1 | 151.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 599 | P | 27.7 | Very low | 26.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | -144.2 | 145.3 | 71.6 | 34.1 | -14.1 | 0 | 0 | 0 | 116.8 | |||||
| 600 | E | 24.4 | Very low | 26.5 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | 28.9 | 105.6 | 141.3 | -62.2 | -179.1 | 165.8 | 0 | 0 | 120 | ||||
| 601 | G | 27.5 | Very low | 26.6 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 97.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 602 | A | 23.8 | Very low | 26.5 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -75.2 | 123.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 603 | V | 27.8 | Very low | 26.5 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -147.4 | 101.4 | 156.9 | -166.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 604 | K | 24.8 | Very low | 26.5 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 37.6 | 105.4 | 140.7 | -65.5 | 179.3 | 174.8 | 179.5 | 0 | 119.8 | ||||
| 605 | E | 22.5 | Very low | 26.4 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -53.6 | 132 | 153.1 | -68.8 | 167.6 | 151.7 | 0 | 0 | 110.9 | ||||
| 606 | V | 25.9 | Very low | 26.5 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | trans | -104.2 | 107.9 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | L608 | V606-L608 PolarHBondContact O-N 2.78Š| ||
| 607 | D | 25.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -55.2 | 101.8 | 169.1 | -101.7 | -31.6 | 0 | 0 | 0 | 109.9 | L609 | D607-L609 PolarHBondContact O-N 3.42Š| ||
| 608 | L | 29.6 | Very low | 26.3 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -86.5 | 93.8 | 164.5 | -75 | 170.3 | 0 | 0 | 0 | 108 | V606 D610 | V606-L608 PolarHBondContact O-N 2.78Å; L608-D610 PolarHBondContact O-N 2.89Å | ||
| 609 | L | 27.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -51.9 | 119.3 | 171.5 | -75.5 | 153.4 | 0 | 0 | 0 | 111.8 | D607 Q611 | D607-L609 PolarHBondContact O-N 3.42Å; L609-Q611 PolarHBondContact O-N 3.42Å | ||
| 610 | D | 26 | Very low | 26.3 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -10.7 | 104.8 | 151.1 | -169.2 | 7.2 | 0 | 0 | 0 | 115.4 | L608 S612 | L608-D610 PolarHBondContact O-N 2.89Å; D610-S612 PolarHBondContact OD1-N 2.96Å | ||
| 611 | Q | 30.1 | Very low | 26.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -116.7 | 86.2 | 159.1 | -73.2 | -172.6 | 7.4 | 0 | 0 | 108.7 | L609 L613 | L609-Q611 PolarHBondContact O-N 3.42Å; Q611-L613 PolarHBondContact O-N 3.36Å | ||
| 612 | S | 25.8 | Very low | 27 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -51.7 | 96.6 | 158.7 | 37.3 | 0 | 0 | 0 | 0 | 110.8 | D610 | D610-S612 PolarHBondContact OD1-N 2.96Š| ||
| 613 | L | 30.4 | Very low | 27.3 | Very low | 138 Ų | 138 | 146 Ų | 146 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | -124.7 | 117.6 | 165.3 | -74.9 | 171.5 | 0 | 0 | 0 | 108.5 | Q611 K615 | Q611-L613 PolarHBondContact O-N 3.36Å; L613-K615 PolarHBondContact O-N 2.91Å | ||
| 614 | D | 27.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | trans | -33.6 | 94.3 | 172.1 | -85.3 | -44.9 | 0 | 0 | 0 | 112.6 | ||||
| 615 | K | 24.7 | Very low | 27.7 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -94.1 | 125.6 | 164.9 | -81.5 | -176 | 178.5 | 176.8 | 0 | 108.8 | L613 R617 | L613-K615 PolarHBondContact O-N 2.91Å; K615-R617 PolarHBondContact O-N 3.39Å | ||
| 616 | P | 25.1 | Very low | 28 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -58.8 | 129.7 | 179.9 | 12.7 | -18.4 | 0 | 0 | 0 | 110.5 | V618 | P616-V618 PolarHBondContact O-N 3.49Š| ||
| 617 | R | 25.1 | Very low | 28.1 | Very low | 223 Ų | 223 | 131.3 Ų | 131.3 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -56.9 | 106.3 | 176.1 | -74.9 | 178.7 | 172.2 | -172.2 | -3.4 | 109.2 | K615 I619 | K615-R617 PolarHBondContact O-N 3.39Å; R617-I619 PolarHBondContact O-N 3.46Å | ||
| 618 | V | 26.3 | Very low | 28.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | trans | -65.6 | 112.5 | 170.1 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | P616 P620 | P616-V618 PolarHBondContact O-N 3.49Å; V618-P620 WeakPolarHBondContact O-CD 3.38Å | ||
| 619 | I | 26.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.9 | 169.3 | -59.6 | 173.6 | 0 | 0 | 0 | 106 | R617 A621 | R617-I619 PolarHBondContact O-N 3.46Å; I619-A621 PolarHBondContact O-N 2.84Å |
| 620 | P | 26 | Very low | 28.7 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 54% | 0.539 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 140.7 | 178.6 | -7.8 | 11.1 | 0 | 0 | 0 | 110.9 | V618 | V618-P620 WeakPolarHBondContact O-CD 3.38Š|
| 621 | A | 32.4 | Very low | 29.1 | Very low | 72 Ų | 72 | 121 Ų | 121 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 142.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | I619 D623 S624 | I619-A621 PolarHBondContact O-N 2.84Å; A621-D623 PolarHBondContact O-N 3.38Å; A621-S624 PolarHBondContact O-N 3.24Å; A621-S624 PolarHBondContact O-OG 2.67Å |
| 622 | Q | 33.8 | Very low | 29.3 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -29.3 | -172.7 | -79 | 175.3 | -29.6 | 0 | 0 | 114.3 | T42 S624 L625 | T42-Q622 PolarHBondContact O-NE2 3.32Å; Q622-S624 VanDerWaalsContact C-N 3.33Å; Q622-S624 PolarHBondContact O-N 3.18Å; Q622-L625 PolarHBondContact O-N 2.97Å |
| 623 | D | 30.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 114 Ų | 114 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.2 | -24.4 | -176.9 | -62 | -38.4 | 0 | 0 | 0 | 113.8 | A621 L625 | A621-D623 PolarHBondContact O-N 3.38Å; D623-L625 VanDerWaalsContact C-N 3.28Å; D623-L625 PolarHBondContact O-N 3.12Å |
| 624 | S | 30.2 | Very low | 29.6 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 48% | 0.476 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.3 | -22.9 | 179.8 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | A621 Q622 | A621-S624 PolarHBondContact O-N 3.24Å; A621-S624 PolarHBondContact O-OG 2.67Å; Q622-S624 VanDerWaalsContact C-N 3.33Å; Q622-S624 PolarHBondContact O-N 3.18Å |
| 625 | L | 30.4 | Very low | 29.6 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -84.2 | -26.6 | -178.6 | -74.6 | 162.9 | 0 | 0 | 0 | 113.1 | Q622 D623 | Q622-L625 PolarHBondContact O-N 2.97Å; D623-L625 VanDerWaalsContact C-N 3.28Å; D623-L625 PolarHBondContact O-N 3.12Å |
| 626 | I | 28.2 | Very low | 29.6 | Very low | 99 Ų | 99 | 104.7 Ų | 104.7 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -84.2 | -35 | -174.7 | -61 | 175.2 | 0 | 0 | 0 | 111.3 | D628 L629 | I626-D628 PolarHBondContact O-N 3.33Å; I626-L629 WeakPolarHBondContact O-CB 3.42Å; I626-L629 PolarHBondContact O-N 3.48Å |
| 627 | A | 28.9 | Very low | 29.7 | Very low | 67 Ų | 67 | 104.9 Ų | 104.9 | 55% | 0.554 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.1 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L629 | A627-L629 PolarHBondContact O-N 2.73Å |
| 628 | D | 32.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -12.8 | 179.7 | -121.6 | -16.7 | 0 | 0 | 0 | 113.5 | R108 K147 I626 | R108-D628 PolarHBondContact NH2-O 3.09Å; K147-D628 IonicContact NZ-OD1 3.43Å; I626-D628 PolarHBondContact O-N 3.33Å |
| 629 | L | 32.3 | Very low | 29.6 | Very low | 72 Ų | 72 | 101.4 Ų | 101.4 | 38% | 0.377 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | -22.2 | -179.7 | -76.2 | 164.6 | 0 | 0 | 0 | 113.7 | L71 I626 A627 N631 | L71-L629 HydrophobicContact CD1-CD1 4.08Å; L71-L629 HydrophobicContact CD1-CD2 4.22Å; I626-L629 WeakPolarHBondContact O-CB 3.42Å; I626-L629 PolarHBondContact O-N 3.48Å; A627-L629 PolarHBondContact O-N 2.73Å; L629-N631 PolarHBondContact O-N 3.16Å |
| 630 | L | 30.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 99.2 Ų | 99.2 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | trans | -71.9 | -8.3 | -177.6 | -73 | 170.9 | 0 | 0 | 0 | 114.2 | L632 | L630-L632 PolarHBondContact O-N 2.98Š| ||
| 631 | N | 34.6 | Very low | 29.4 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | trans | -73.3 | 34.6 | 171.3 | -77.7 | -19.1 | 0 | 0 | 0 | 113.8 | R108 L629 | R108-N631 PolarHBondContact NH1-O 3.24Å; R108-N631 VanDerWaalsContact NH1-O 3.11Å; L629-N631 PolarHBondContact O-N 3.16Å | ||
| 632 | L | 34.2 | Very low | 29 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 35% | 0.351 | 62% | 0.615 | S | S | . | * | trans | -103.8 | 74.1 | 170.2 | -89.7 | 162.2 | 0 | 0 | 0 | 108.5 | L630 L634 | L630-L632 PolarHBondContact O-N 2.98Å; L632-L634 PolarHBondContact O-N 3.28Å; L632-L634 VanDerWaalsContact O-N 3.16Å | ||
| 633 | D | 32.5 | Very low | 28.4 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 31% | 0.305 | 63% | 0.628 | S | S | . | * | trans | -67.4 | 109.9 | 168.9 | -164.5 | -8.7 | 0 | 0 | 0 | 108.6 | S635 | D633-S635 VanDerWaalsContact CG-OG 3.3Å; D633-S635 PolarHBondContact OD1-N 3.31Å; D633-S635 PolarHBondContact OD1-OG 3.46Å | ||
| 634 | L | 30.6 | Very low | 28.2 | Very low | 135 Ų | 135 | 112.6 Ų | 112.6 | 71% | 0.707 | 63% | 0.633 | S | S | * | * | trans | -103.3 | 24.9 | 178.1 | -74.5 | 171.1 | 0 | 0 | 0 | 111.4 | L632 P636 | L632-L634 PolarHBondContact O-N 3.28Å; L632-L634 VanDerWaalsContact O-N 3.16Å; L634-P636 WeakPolarHBondContact O-CD 3.47Å | ||
| 635 | S | 25.9 | Very low | 27.9 | Very low | 64 Ų | 64 | 116.9 Ų | 116.9 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 125.1 | 168 | 37.2 | 0 | 0 | 0 | 0 | 108.9 | D633 | D633-S635 VanDerWaalsContact CG-OG 3.3Å; D633-S635 PolarHBondContact OD1-N 3.31Å; D633-S635 PolarHBondContact OD1-OG 3.46Å |
| 636 | P | 25.8 | Very low | 27.8 | Very low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 146 | 176.7 | 21.9 | -30.1 | 0 | 0 | 0 | 109.2 | L634 A638 | L634-P636 WeakPolarHBondContact O-CD 3.47Å; P636-A638 PolarHBondContact O-N 2.9Å |
| 637 | P | 26.8 | Very low | 27.8 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 120.8 | 174 | -2 | 7.6 | 0 | 0 | 0 | 107.6 | E639 | P637-E639 PolarHBondContact O-N 2.95Š|
| 638 | A | 26.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -53.5 | 114.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P636 S640 | P636-A638 PolarHBondContact O-N 2.9Å; A638-S640 PolarHBondContact O-N 3.07Å; A638-S640 VanDerWaalsContact O-N 3.1Å | ||
| 639 | E | 24.2 | Very low | 27.3 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -57.4 | 119.6 | 176.5 | -73.7 | -176.1 | 164.1 | 0 | 0 | 108.1 | P637 Q641 | P637-E639 PolarHBondContact O-N 2.95Å; E639-Q641 PolarHBondContact O-N 3.48Å | ||
| 640 | S | 22.8 | Very low | 27 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | -53 | 96.2 | 173.4 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | A638 Y642 | A638-S640 PolarHBondContact O-N 3.07Å; A638-S640 VanDerWaalsContact O-N 3.1Å; S640-Y642 PolarHBondContact O-N 3.15Å | ||
| 641 | Q | 24.5 | Very low | 26.8 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 122.2 | 165.7 | -79.3 | -170.8 | -6 | 0 | 0 | 108.6 | E639 | E639-Q641 PolarHBondContact O-N 3.48Š|
| 642 | Y | 22.9 | Very low | 26.3 | Very low | 219 Ų | 219 | 126.7 Ų | 126.7 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 137.8 | -176.8 | -79.4 | -96.9 | 0 | 0 | 0 | 113 | S640 A644 | S640-Y642 PolarHBondContact O-N 3.15Å; Y642-A644 PolarHBondContact O-N 2.94Å |
| 643 | Q | 22.1 | Very low | 25.8 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 124.1 | 165.6 | -67.4 | 166.5 | -27.1 | 0 | 0 | 111.7 | ||
| 644 | A | 26.1 | Very low | 25.3 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 105.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y642 | Y642-A644 PolarHBondContact O-N 2.94Š| ||
| 645 | N | 24.5 | Very low | 25.1 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -45 | 132.3 | 164 | -77.8 | -36.5 | 0 | 0 | 0 | 111.4 | ||||
| 646 | I | 27.1 | Very low | 25.1 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -152.4 | 138.4 | 134.9 | -87.2 | 138.9 | 0 | 0 | 0 | 107.9 | ||||
| 647 | P | 28.6 | Very low | 25 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | trans | -83.3 | 165.5 | -170.3 | -2.7 | 23.3 | 0 | 0 | 0 | 113.6 | ||||
| 648 | P | 23.8 | Very low | 24.7 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -83.8 | 134.5 | -175.5 | 33.7 | -31.1 | 0 | 0 | 0 | 111.9 | ||||
| 649 | A | 27.1 | Very low | 24.5 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -135.7 | 127.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 650 | P | 25.3 | Very low | 24.6 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -102 | 129.3 | -177.9 | 34.9 | -26.8 | 0 | 0 | 0 | 111.5 | ||||
| 651 | V | 26.8 | Very low | 24.7 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -168.2 | 149.8 | 147.6 | -112 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 652 | A | 24.4 | Very low | 24.8 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -65.2 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 653 | D | 24.7 | Very low | 24.9 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | 64.8 | 92.5 | 166.3 | -76 | -23 | 0 | 0 | 0 | 117.6 | ||||
| 654 | L | 22.1 | Very low | 25.1 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -109 | 87.6 | 152.8 | -158.3 | 75.8 | 0 | 0 | 0 | 108.1 | ||||
| 655 | E | 24.7 | Very low | 24.9 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -58.4 | 141.2 | 160.9 | -74 | 177.2 | 140 | 0 | 0 | 110.5 | ||||
| 656 | D | 26.7 | Very low | 25.1 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | 66.4 | 70.2 | 146.1 | -139.1 | 16.1 | 0 | 0 | 0 | 118.5 | L658 | D656-L658 PolarHBondContact O-N 3.21Š| ||
| 657 | L | 22.6 | Very low | 25 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 102 | 159.9 | -176.2 | 66.3 | 0 | 0 | 0 | 109.7 | ||
| 658 | L | 22.3 | Very low | 24.8 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.2 | 60.8 | 162.5 | -54.4 | 162.6 | 0 | 0 | 0 | 117.8 | D656 | D656-L658 PolarHBondContact O-N 3.21Š|
| 659 | G | 21.7 | Very low | 24.7 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -116.7 | 59.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 660 | L | 25.9 | Very low | 24.6 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | -78 | 122.4 | 163.5 | -83.2 | 174.3 | 0 | 0 | 0 | 109.7 | ||||
| 661 | G | 25.6 | Very low | 24.6 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | 93 | 91 | 144.5 | 0 | 0 | 0 | 0 | 0 | 116 | D663 | G661-D663 PolarHBondContact O-N 3.35Š| ||
| 662 | V | 25 | Very low | 25 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -32.1 | 120.8 | 146.5 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 663 | D | 26.7 | Very low | 25.2 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -149 | 120.1 | 141.7 | -138.8 | 0 | 0 | 0 | 0 | 109.6 | G661 | G661-D663 PolarHBondContact O-N 3.35Š| ||
| 664 | G | 24.8 | Very low | 25.1 | Very low | 56 Ų | 56 | 132.8 Ų | 132.8 | 58% | 0.577 | 81% | 0.814 | S | S | * | * | trans | -82 | 152.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 665 | L | 22.6 | Very low | 25.4 | Very low | 176 Ų | 176 | 130 Ų | 130 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | 68 | 85.9 | 139.7 | -67.2 | 153.9 | 0 | 0 | 0 | 116.9 | ||||
| 666 | L | 29.4 | Very low | 25.3 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -135.4 | 114.6 | 141 | -90.4 | 171.1 | 0 | 0 | 0 | 110.7 | ||||
| 667 | G | 24.7 | Very low | 25.5 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 89.2 | 88.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 668 | S | 23.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -28.1 | 136.1 | 148.3 | 51 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 669 | V | 22.9 | Very low | 26 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | 56.8 | 109.3 | 124.4 | -173.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 670 | E | 23.8 | Very low | 26.2 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | 178 | 152.3 | 108.9 | -123.4 | 162.9 | -169 | 0 | 0 | 112.6 | |||||
| 671 | P | 26.1 | Very low | 26 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -110.5 | -158.2 | -171.9 | 38.1 | -20.9 | 0 | 0 | 0 | 112.7 | ||||
| 672 | P | 35.6 | Very low | 26 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | -111.6 | 147.6 | -82.4 | 35.3 | -20.4 | 0 | 0 | 0 | 112.5 | |||||
| 673 | A | 27.8 | Very low | 25.8 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 116.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 674 | A | 23.6 | Very low | 25.8 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 141.1 | 166 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 675 | S | 27.8 | Very low | 25.8 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | 172.7 | 123.3 | 139.3 | 36.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 676 | Q | 22 | Very low | 26 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 178.4 | 150.8 | -59.3 | -175.4 | -23.9 | 0 | 0 | 109.2 | ||||
| 677 | P | 30.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -136.1 | 164.6 | -5.1 | 22.1 | 4 | 0 | 0 | 0 | 115.8 | ||||
| 678 | V | 22 | Very low | 26 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 25.8 | 150.7 | 131.3 | -154.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 679 | P | 34.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -128.1 | 156 | -41.2 | 37.8 | -22.2 | 0 | 0 | 0 | 112.6 | ||||
| 680 | A | 25.3 | Very low | 26.4 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -128.6 | 115.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F682 | A680-F682 HydrophobicContact CB-CD2 4.33Å; A680-F682 HydrophobicContact CB-CE2 4.32Å; A680-F682 PolarHBondContact O-N 3.17Å | ||
| 681 | A | 22 | Very low | 26.7 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -60.3 | 109.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 682 | F | 25.1 | Very low | 26.8 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -111.3 | 94.4 | 162.9 | -89.9 | -86.1 | 0 | 0 | 0 | 108.3 | A680 V684 | A680-F682 HydrophobicContact CB-CD2 4.33Å; A680-F682 HydrophobicContact CB-CE2 4.32Å; A680-F682 PolarHBondContact O-N 3.17Å; F682-V684 PolarHBondContact O-N 3.41Å | ||
| 683 | G | 22.1 | Very low | 26.8 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | -65.9 | 113.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 684 | V | 26.1 | Very low | 27 | Very low | 131 Ų | 131 | 125 Ų | 125 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -104.1 | 90.9 | 160.3 | -174.9 | 0 | 0 | 0 | 0 | 106 | F682 G686 | F682-V684 PolarHBondContact O-N 3.41Å; V684-G686 PolarHBondContact O-N 2.9Å; V684-G686 VanDerWaalsContact O-N 3.08Å | ||
| 685 | Q | 25.4 | Very low | 27.9 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -63.1 | 99.3 | 163.8 | -74.4 | 175.3 | -51.8 | 0 | 0 | 108 | L687 | Q685-L687 HydrophobicContact CB-CD1 4.46Å; Q685-L687 PolarHBondContact O-N 3.06Å | ||
| 686 | G | 26.4 | Very low | 29 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -72.7 | 71.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | V684 L688 | V684-G686 PolarHBondContact O-N 2.9Å; V684-G686 VanDerWaalsContact O-N 3.08Å; G686-L688 PolarHBondContact O-N 3.23Å | ||
| 687 | L | 27.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 64% | 0.644 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 27.2 | -176.9 | -140 | 119.8 | 0 | 0 | 0 | 114 | Q685 | Q685-L687 HydrophobicContact CB-CD1 4.46Å; Q685-L687 PolarHBondContact O-N 3.06Å |
| 688 | L | 25.7 | Very low | 32.1 | Very low | 147 Ų | 147 | 116.7 Ų | 116.7 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -1.7 | 178.5 | -70.9 | 176.5 | 0 | 0 | 0 | 114 | G686 | G686-L688 PolarHBondContact O-N 3.23Š|
| 689 | G | 27.6 | Very low | 34.3 | Very low | 58 Ų | 58 | 113.3 Ų | 113.3 | 60% | 0.598 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -82.5 | -26 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I691 | G689-I691 PolarHBondContact O-N 2.93Š|
| 690 | E | 28.2 | Very low | 36.3 | Very low | 166 Ų | 166 | 108.8 Ų | 108.8 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -9.7 | -170.4 | -71 | -173.8 | 167.4 | 0 | 0 | 115 | ||
| 691 | I | 29.1 | Very low | 39.1 | Very low | 133 Ų | 133 | 111.7 Ų | 111.7 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -23.1 | -179.5 | -65.2 | 176.6 | 0 | 0 | 0 | 112.3 | G689 | G689-I691 PolarHBondContact O-N 2.93Š|
| 692 | F | 29.5 | Very low | 42.2 | Very low | 188 Ų | 188 | 109.1 Ų | 109.1 | 83% | 0.825 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -100.9 | -3.5 | -175.1 | -73.4 | -75.3 | 0 | 0 | 0 | 115.3 | Q694 | F692-Q694 PolarHBondContact O-N 3.25Š|
| 693 | A | 34.5 | Very low | 45.2 | Very low | 69 Ų | 69 | 101 Ų | 101 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -87.9 | 106.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P695 | A693-P695 WeakPolarHBondContact O-CD 3.29Å; A693-P695 VanDerWaalsContact O-N 3.15Å |
| 694 | Q | 32.8 | Very low | 48.3 | Very low | 166 Ų | 166 | 101.6 Ų | 101.6 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | trans | -50.6 | 126.6 | 168.9 | -73.8 | -166.5 | -11.2 | 0 | 0 | 108.2 | F692 V696 | F692-Q694 PolarHBondContact O-N 3.25Å; Q694-V696 PolarHBondContact O-N 3.42Å | ||
| 695 | P | 41.1 | Very low | 51.4 | Low | 123 Ų | 123 | 99.4 Ų | 99.4 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | trans | -68.3 | 89.9 | 178.2 | 25.4 | -31.2 | 0 | 0 | 0 | 108.1 | A693 T697 | A693-P695 WeakPolarHBondContact O-CD 3.29Å; A693-P695 VanDerWaalsContact O-N 3.15Å; P695-T697 PolarHBondContact O-N 2.9Å; P695-T697 VanDerWaalsContact O-N 3.14Å | ||
| 696 | V | 51 | Low | 54.6 | Low | 27 Ų | 27 | 97.1 Ų | 97.1 | 16% | 0.164 | 55% | 0.549 | C | S | . | . | trans | -70.6 | 106.6 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 105.8 | Q694 P698 A726 Y731 | Q694-V696 PolarHBondContact O-N 3.42Å; V696-P698 WeakPolarHBondContact O-CD 3.4Å; V696-A726 HydrophobicContact CG1-CB 3.04Å; V696-Y731 HydrophobicContact CG1-CE2 4.41Å | ||
| 697 | T | 57.9 | Low | 57.8 | Low | 115 Ų | 115 | 97.8 Ų | 97.8 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -70.3 | 117.3 | 176 | 12.3 | 0 | 0 | 0 | 0 | 107.8 | P695 I699 | P695-T697 PolarHBondContact O-N 2.9Å; P695-T697 VanDerWaalsContact O-N 3.14Å; T697-I699 PolarHBondContact O-N 3.23Å | ||
| 698 | P | 59.9 | Low | 61.1 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | trans | -62.9 | 136.9 | -179.8 | 23 | -30.2 | 0 | 0 | 0 | 110.2 | V696 V702 | V696-P698 WeakPolarHBondContact O-CD 3.4Å; P698-V702 HydrophobicContact CB-CG2 3.56Å; P698-V702 HydrophobicContact CG-CG2 4.06Å | ||
| 699 | I | 68.4 | Low | 64.4 | Low | 63 Ų | 63 | 86.6 Ų | 86.6 | 32% | 0.323 | 48% | 0.479 | S | S | . | . | trans | -92.5 | 105 | 171.7 | -59.8 | 168.6 | 0 | 0 | 0 | 106.5 | T697 R725 | T697-I699 PolarHBondContact O-N 3.23Å; I699-R725 PolarHBondContact N-O 3.33Å | ||
| 700 | G | 76.4 | Confident | 67.6 | Low | 28 Ų | 28 | 86.2 Ų | 86.2 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 98.7 | -163.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R865 N866 | G700-R865 WeakPolarHBondContact CA-O 3.44Å; G700-R865 PolarHBondContact N-O 2.83Å; G700-N866 WeakPolarHBondContact CA-OD1 3.4Å |
| 701 | Y | 84.4 | Confident | 70.5 | Confident | 141 Ų | 141 | 79.1 Ų | 79.1 | 55% | 0.553 | 44% | 0.436 | S | S | * | . | trans | -73.8 | 128.9 | -177.8 | 175.8 | -102.6 | 0 | 0 | 0 | 111 | A703 N817 N866 | Y701-A703 HydrophobicContact CE1-CB 4.13Å; Y701-N817 PolarHBondContact O-ND2 3.3Å; Y701-N866 PolarHBondContact N-OD1 3.38Å | ||
| 702 | V | 87.8 | Confident | 73.2 | Confident | 50 Ų | 50 | 77.5 Ų | 77.5 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | trans | -109.1 | 120.9 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | P698 T722 L724 | P698-V702 HydrophobicContact CB-CG2 3.56Å; P698-V702 HydrophobicContact CG-CG2 4.06Å; V702-T722 HydrophobicContact CG1-CG2 4.04Å; V702-L724 HydrophobicContact CG1-CB 4.12Å; V702-L724 HydrophobicContact CG2-CB 3.75Å | ||
| 703 | A | 87.4 | Confident | 76 | Confident | 18 Ų | 18 | 74 Ų | 74 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y701 T722 P815 | Y701-A703 HydrophobicContact CE1-CB 4.13Å; A703-T722 WeakPolarHBondContact O-CB 3.21Å; A703-T722 PolarHBondContact O-OG1 3.36Å; A703-P815 HydrophobicContact CB-CG 4.14Å |
| 704 | P | 87.9 | Confident | 78.6 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 148 | 173.5 | 27 | -34 | 0 | 0 | 0 | 110.4 | Q706 | P704-Q706 PolarHBondContact O-N 3.23Š|
| 705 | K | 91.6 | Very high | 81.3 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 133.8 | 175.6 | -73.2 | -174.6 | 175.1 | -178.5 | 0 | 110.3 | G721 T722 T735 D777 | K705-G721 WeakPolarHBondContact CA-O 3.37Å; K705-T722 HydrophobicContact CG-CG2 3.79Å; K705-T735 PolarHBondContact NZ-OG1 2.87Å; K705-D777 IonicContact NZ-OD1 3.54Å; K705-D777 PolarHBondContact NZ-OD1 3.2Å |
| 706 | Q | 92.4 | Very high | 83.6 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.3 | 175.9 | -65.5 | -179.3 | -0.4 | 0 | 0 | 109.9 | P704 W708 S720 G721 | P704-Q706 PolarHBondContact O-N 3.23Å; Q706-W708 PolarHBondContact O-N 2.98Å; Q706-S720 CarbonylContact O-C 3.29Å; Q706-S720 WeakPolarHBondContact O-CA 3.1Å; Q706-G721 PolarHBondContact N-O 2.98Å; Q706-G721 PolarHBondContact O-N 2.92Å |
| 707 | V | 94.3 | Very high | 85.7 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 113.8 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | P710 E718 | V707-P710 HydrophobicContact CG1-CB 4.47Å; V707-P710 HydrophobicContact CG1-CG 4.22Å; V707-E718 HydrophobicContact CG1-CG 4.23Å |
| 708 | W | 96.1 | Very high | 87.5 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 11% | 0.106 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -34.3 | 177.3 | -61.6 | -33 | 0 | 0 | 0 | 112.2 | Q706 L719 G721 F723 M732 L734 F810 C812 | Q706-W708 PolarHBondContact O-N 2.98Å; W708-L719 PolarHBondContact N-O 3.34Å; W708-G721 VanDerWaalsContact CZ2-O 3.25Å; W708-G721 WeakPolarHBondContact CZ2-O 3.26Å; W708-G721 VanDerWaalsContact CZ3-CA 3.48Å; W708-F723 HydrophobicContact CH2-CD2 4.11Å; W708-F723 AromaticContact CH2-CE2 3.51Å; W708-F723 HydrophobicContact CH2-CE2 3.51Å; W708-F723 AromaticContact CH2-CZ 3.78Å; W708-F723 HydrophobicContact CH2-CZ 3.78Å; W708-F723 HydrophobicContact CZ2-CD2 4.03Å; W708-F723 AromaticContact CZ2-CE2 3.45Å; W708-F723 HydrophobicContact CZ2-CE2 3.45Å; W708-F723 VanDerWaalsContact CZ2-CE2 3.45Å; W708-F723 HydrophobicContact CZ2-CZ 4.14Å; W708-M732 HydrophobicContact CE3-CE 3.96Å; W708-M732 HydrophobicContact CH2-CE 3.87Å; W708-M732 HydrophobicContact CH2-CG 4.23Å; W708-M732 HydrophobicContact CZ3-CE 3.22Å; W708-M732 HydrophobicContact CZ3-CG 4.19Å; W708-M732 HydrophobicContact CZ3-SD 4.48Å; W708-L734 HydrophobicContact CE3-CD2 3.91Å; W708-L734 HydrophobicContact CZ3-CD2 3.57Å; W708-F810 HydrophobicContact CB-CD2 3.5Å; W708-F810 HydrophobicContact CB-CE2 3.69Å; W708-F810 HydrophobicContact CB-CG 4.21Å; W708-F810 HydrophobicContact CD2-CE2 4.09Å; W708-F810 AromaticContact CE3-CE2 3.7Å; W708-F810 HydrophobicContact CE3-CE2 3.7Å; W708-F810 HydrophobicContact CE3-CZ 4.2Å; W708-F810 HydrophobicContact CG-CD2 4.25Å; W708-F810 HydrophobicContact CG-CE2 4.15Å; W708-C812 HydrophobicContact CD2-CB 3.72Å; W708-C812 HydrophobicContact CE3-CB 4.45Å; W708-C812 HydrophobicContact CG-CB 3.79Å; W708-C812 HydrophobicContact CZ2-CB 4.09Å |
| 709 | L | 94.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 104.1 | 173.3 | -176.5 | 66.2 | 0 | 0 | 0 | 109.1 | N713 L717 E718 L719 F808 F810 | L709-N713 HydrophobicContact CD1-CB 4.05Å; L709-L717 HydrophobicContact CD2-CD2 4.26Å; L709-L717 HydrophobicContact CD2-CG 4.37Å; L709-E718 CarbonylContact O-C 3.56Å; L709-E718 VanDerWaalsContact O-CA 3.29Å; L709-E718 WeakPolarHBondContact O-CA 3.32Å; L709-L719 HydrophobicContact CB-CB 3.94Å; L709-L719 HydrophobicContact CB-CD1 4.25Å; L709-L719 HydrophobicContact CB-CG 4.21Å; L709-L719 HydrophobicContact CD2-CD1 3.98Å; L709-L719 HydrophobicContact CD2-CG 4.24Å; L709-L719 PolarHBondContact N-O 3.08Å; L709-L719 VanDerWaalsContact N-O 3.17Å; L709-L719 PolarHBondContact O-N 3.32Å; L709-F808 HydrophobicContact CD2-CB 3.66Å; L709-F808 HydrophobicContact CD2-CG 4.04Å; L709-F810 HydrophobicContact CB-CD1 4.23Å |
| 710 | P | 94.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | trans | -66.2 | 145.3 | 172.1 | -20.6 | 33 | 0 | 0 | 0 | 111.6 | V707 S712 N713 G714 | V707-P710 HydrophobicContact CG1-CB 4.47Å; V707-P710 HydrophobicContact CG1-CG 4.22Å; P710-S712 PolarHBondContact O-N 3.19Å; P710-N713 PolarHBondContact O-N 3.44Å; P710-G714 PolarHBondContact O-N 3.32Å; P710-G714 VanDerWaalsContact O-N 3.09Å | ||
| 711 | A | 89 | Confident | 91.4 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -31.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N713 G714 K715 G716 L717 E718 R739 | A711-N713 VanDerWaalsContact C-N 3.26Å; A711-N713 PolarHBondContact O-N 3.2Å; A711-G714 PolarHBondContact O-N 3.26Å; A711-K715 PolarHBondContact O-N 3.5Å; A711-G716 PolarHBondContact O-N 2.99Å; A711-L717 WeakPolarHBondContact CA-O 3.48Å; A711-E718 HydrophobicContact CB-CB 4.08Å; A711-R739 HydrophobicContact CB-CB 4.15Å; A711-R739 HydrophobicContact CB-CG 4.14Å |
| 712 | S | 87.2 | Confident | 91.9 | Very high | 100 Ų | 100 | 45.2 Ų | 45.2 | 70% | 0.699 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.7 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | P710 | P710-S712 PolarHBondContact O-N 3.19Š|
| 713 | N | 88.7 | Confident | 92.2 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -26 | -177.2 | -62.9 | 9.7 | 0 | 0 | 0 | 111.1 | L709 P710 A711 | L709-N713 HydrophobicContact CD1-CB 4.05Å; P710-N713 PolarHBondContact O-N 3.44Å; A711-N713 VanDerWaalsContact C-N 3.26Å; A711-N713 PolarHBondContact O-N 3.2Å |
| 714 | G | 87.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 16.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P710 A711 G716 L717 F808 | P710-G714 PolarHBondContact O-N 3.32Å; P710-G714 VanDerWaalsContact O-N 3.09Å; A711-G714 PolarHBondContact O-N 3.26Å; G714-G716 PolarHBondContact O-N 3.34Å; G714-G716 VanDerWaalsContact O-N 3.12Å; G714-L717 WeakPolarHBondContact CA-O 3.45Å; G714-L717 VanDerWaalsContact O-CB 3.27Å; G714-L717 WeakPolarHBondContact O-CB 3.21Å; G714-L717 PolarHBondContact O-N 3.01Å; G714-F808 WeakPolarHBondContact O-CE1 3.36Å; G714-F808 WeakPolarHBondContact O-CZ 3.44Å |
| 715 | K | 89.8 | Confident | 92.6 | Very high | 127 Ų | 127 | 38.8 Ų | 38.8 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 39 | -175.2 | -62.9 | 176.4 | 178.4 | 171.4 | 0 | 112.8 | A711 I805 D806 F808 | A711-K715 PolarHBondContact O-N 3.5Å; K715-I805 HydrophobicContact CD-CG2 4.42Å; K715-D806 IonicContact NZ-OD2 2.67Å; K715-D806 PolarHBondContact NZ-OD2 3Å; K715-F808 HydrophobicContact CB-CE1 4.16Å; K715-F808 HydrophobicContact CB-CZ 4.18Å; K715-F808 HydrophobicContact CD-CE1 4.23Å; K715-F808 HydrophobicContact CD-CZ 4.43Å; K715-F808 HydrophobicContact CG-CE1 4.11Å |
| 716 | G | 90 | Very high | 92.3 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -15.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A711 G714 R739 | A711-G716 PolarHBondContact O-N 2.99Å; G714-G716 PolarHBondContact O-N 3.34Å; G714-G716 VanDerWaalsContact O-N 3.12Å; G716-R739 WeakPolarHBondContact O-CA 3.47Å; G716-R739 WeakPolarHBondContact O-CB 3.49Å; G716-R739 PolarHBondContact O-N 3.41Å |
| 717 | L | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.4 | 169.6 | 178.3 | 63.7 | 0 | 0 | 0 | 110.2 | L709 A711 G714 L719 I736 M744 F747 V801 F808 | L709-L717 HydrophobicContact CD2-CD2 4.26Å; L709-L717 HydrophobicContact CD2-CG 4.37Å; A711-L717 WeakPolarHBondContact CA-O 3.48Å; G714-L717 WeakPolarHBondContact CA-O 3.45Å; G714-L717 VanDerWaalsContact O-CB 3.27Å; G714-L717 WeakPolarHBondContact O-CB 3.21Å; G714-L717 PolarHBondContact O-N 3.01Å; L717-L719 HydrophobicContact CD1-CD2 4.03Å; L717-L719 HydrophobicContact CD1-CG 4.48Å; L717-L719 HydrophobicContact CD2-CD1 4.4Å; L717-L719 HydrophobicContact CD2-CD2 4.49Å; L717-L719 HydrophobicContact CD2-CG 4.4Å; L717-L719 HydrophobicContact CG-CD2 4.28Å; L717-L719 HydrophobicContact CG-CG 4.21Å; L717-I736 HydrophobicContact CD1-CG2 3.65Å; L717-M744 HydrophobicContact CB-CE 4.03Å; L717-M744 HydrophobicContact CB-SD 3.95Å; L717-M744 HydrophobicContact CD1-SD 3.89Å; L717-M744 HydrophobicContact CG-SD 4.47Å; L717-F747 HydrophobicContact CD1-CE1 3.94Å; L717-F747 HydrophobicContact CD1-CZ 4.37Å; L717-F747 HydrophobicContact CD2-CE1 4.36Å; L717-V801 HydrophobicContact CD2-CG1 4.48Å; L717-F808 HydrophobicContact CB-CE2 4.42Å; L717-F808 HydrophobicContact CD2-CD2 3.66Å; L717-F808 HydrophobicContact CD2-CE2 3.93Å; L717-F808 HydrophobicContact CD2-CG 4.49Å |
| 718 | E | 95.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.5 | 171.2 | -179.2 | 172.2 | 101.8 | 0 | 0 | 110.1 | V707 L709 A711 T737 R739 | V707-E718 HydrophobicContact CG1-CG 4.23Å; L709-E718 CarbonylContact O-C 3.56Å; L709-E718 VanDerWaalsContact O-CA 3.29Å; L709-E718 WeakPolarHBondContact O-CA 3.32Å; A711-E718 HydrophobicContact CB-CB 4.08Å; E718-T737 HydrophobicContact CB-CG2 4.47Å; E718-T737 PolarHBondContact N-O 3.29Å; E718-T737 PolarHBondContact O-N 3.45Å; E718-R739 VanDerWaalsContact CD-NH2 3.27Å; E718-R739 IonicContact OE1-CZ 3.4Å; E718-R739 IonicContact OE1-NE 3.52Å; E718-R739 PolarHBondContact OE1-NE 2.89Å; E718-R739 IonicContact OE1-NH2 3.75Å; E718-R739 PolarHBondContact OE1-NH2 3.22Å; E718-R739 IonicContact OE2-CZ 3.72Å; E718-R739 IonicContact OE2-NE 3.43Å; E718-R739 PolarHBondContact OE2-NE 3.47Å; E718-R739 VanDerWaalsContact OE2-NE 3.12Å; E718-R739 IonicContact OE2-NH1 2.79Å; E718-R739 IonicContact OE2-NH2 2.83Å; E718-R739 PolarHBondContact OE2-NH2 3.27Å |
| 719 | L | 95.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.6 | 177.7 | -59.6 | 175.3 | 0 | 0 | 0 | 109.8 | W708 L709 L717 I736 V801 F810 | W708-L719 PolarHBondContact N-O 3.34Å; L709-L719 HydrophobicContact CB-CB 3.94Å; L709-L719 HydrophobicContact CB-CD1 4.25Å; L709-L719 HydrophobicContact CB-CG 4.21Å; L709-L719 HydrophobicContact CD2-CD1 3.98Å; L709-L719 HydrophobicContact CD2-CG 4.24Å; L709-L719 PolarHBondContact N-O 3.08Å; L709-L719 VanDerWaalsContact N-O 3.17Å; L709-L719 PolarHBondContact O-N 3.32Å; L717-L719 HydrophobicContact CD1-CD2 4.03Å; L717-L719 HydrophobicContact CD1-CG 4.48Å; L717-L719 HydrophobicContact CD2-CD1 4.4Å; L717-L719 HydrophobicContact CD2-CD2 4.49Å; L717-L719 HydrophobicContact CD2-CG 4.4Å; L717-L719 HydrophobicContact CG-CD2 4.28Å; L717-L719 HydrophobicContact CG-CG 4.21Å; L719-I736 HydrophobicContact CD2-CB 4.17Å; L719-I736 HydrophobicContact CD2-CG1 3.7Å; L719-I736 HydrophobicContact CD2-CG2 4.16Å; L719-V801 HydrophobicContact CD1-CB 4.09Å; L719-V801 HydrophobicContact CD1-CG1 4.18Å; L719-V801 HydrophobicContact CD1-CG2 3.89Å; L719-F810 HydrophobicContact CD1-CD1 4.27Å; L719-F810 HydrophobicContact CD1-CE1 3.54Å; L719-F810 HydrophobicContact CD1-CZ 4.17Å |
| 720 | S | 95.8 | Very high | 90.9 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.7 | 168.4 | -58.5 | 0 | 0 | 0 | 0 | 109.8 | Q706 L734 T735 | Q706-S720 CarbonylContact O-C 3.29Å; Q706-S720 WeakPolarHBondContact O-CA 3.1Å; S720-L734 CarbonylContact O-C 3.46Å; S720-L734 WeakPolarHBondContact O-CA 3.49Å; S720-T735 PolarHBondContact N-O 3.43Å; S720-T735 PolarHBondContact O-N 3.1Å |
| 721 | G | 94.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K705 Q706 W708 D733 | K705-G721 WeakPolarHBondContact CA-O 3.37Å; Q706-G721 PolarHBondContact N-O 2.98Å; Q706-G721 PolarHBondContact O-N 2.92Å; W708-G721 VanDerWaalsContact CZ2-O 3.25Å; W708-G721 WeakPolarHBondContact CZ2-O 3.26Å; W708-G721 VanDerWaalsContact CZ3-CA 3.48Å; G721-D733 CarbonylContact C-O 3.16Å; G721-D733 WeakPolarHBondContact CA-O 3.47Å |
| 722 | T | 95.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 171.1 | 175.5 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | V702 A703 K705 D733 | V702-T722 HydrophobicContact CG1-CG2 4.04Å; A703-T722 WeakPolarHBondContact O-CB 3.21Å; A703-T722 PolarHBondContact O-OG1 3.36Å; K705-T722 HydrophobicContact CG-CG2 3.79Å; T722-D733 HydrophobicContact CG2-CB 3.97Å; T722-D733 PolarHBondContact N-O 2.9Å; T722-D733 PolarHBondContact O-N 2.88Å |
| 723 | F | 95.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.7 | 176 | -60.8 | -89.5 | 0 | 0 | 0 | 110.2 | W708 Y731 M732 L782 L797 V814 V818 | W708-F723 HydrophobicContact CH2-CD2 4.11Å; W708-F723 AromaticContact CH2-CE2 3.51Å; W708-F723 HydrophobicContact CH2-CE2 3.51Å; W708-F723 AromaticContact CH2-CZ 3.78Å; W708-F723 HydrophobicContact CH2-CZ 3.78Å; W708-F723 HydrophobicContact CZ2-CD2 4.03Å; W708-F723 AromaticContact CZ2-CE2 3.45Å; W708-F723 HydrophobicContact CZ2-CE2 3.45Å; W708-F723 VanDerWaalsContact CZ2-CE2 3.45Å; W708-F723 HydrophobicContact CZ2-CZ 4.14Å; F723-Y731 WeakPolarHBondContact CA-O 3.45Å; F723-M732 HydrophobicContact CD1-CB 4.15Å; F723-M732 HydrophobicContact CD1-CG 4.29Å; F723-M732 HydrophobicContact CE1-CB 4.02Å; F723-M732 HydrophobicContact CE1-CE 4.45Å; F723-M732 HydrophobicContact CE1-CG 3.84Å; F723-M732 HydrophobicContact CE1-SD 4.34Å; F723-M732 HydrophobicContact CZ-CE 4.19Å; F723-M732 HydrophobicContact CZ-CG 4.32Å; F723-L782 HydrophobicContact CD1-CD1 4.19Å; F723-L782 HydrophobicContact CE1-CD1 4.06Å; F723-L797 HydrophobicContact CE1-CD2 4.19Å; F723-L797 HydrophobicContact CZ-CD2 4.02Å; F723-V814 HydrophobicContact CD1-CG1 4.5Å; F723-V814 HydrophobicContact CE1-CG2 4.24Å; F723-V814 HydrophobicContact CE2-CG2 4.08Å; F723-V814 HydrophobicContact CG-CG1 4.35Å; F723-V814 HydrophobicContact CZ-CG2 3.91Å; F723-V818 HydrophobicContact CB-CG1 4.05Å; F723-V818 HydrophobicContact CB-CG2 4.21Å |
| 724 | L | 92.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155.8 | 173.8 | 66 | 94.5 | 0 | 0 | 0 | 110.4 | V702 A726 Y731 D733 | V702-L724 HydrophobicContact CG1-CB 4.12Å; V702-L724 HydrophobicContact CG2-CB 3.75Å; L724-A726 HydrophobicContact CD1-CB 4.33Å; L724-Y731 HydrophobicContact CD1-CD2 3.91Å; L724-Y731 HydrophobicContact CD1-CG 4.26Å; L724-Y731 PolarHBondContact N-O 3.19Å; L724-Y731 PolarHBondContact O-N 3.44Å; L724-D733 WeakPolarHBondContact CD2-OD2 3.23Å |
| 725 | R | 89.9 | Confident | 92.3 | Very high | 14 Ų | 14 | 28 Ų | 28 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.5 | 172.9 | -171.5 | -175.1 | -178.3 | 80.2 | 0.8 | 109.7 | I699 Q728 T729 V818 F820 E822 | I699-R725 PolarHBondContact N-O 3.33Å; R725-Q728 PolarHBondContact NH2-O 2.81Å; R725-Q728 VanDerWaalsContact NH2-O 3.14Å; R725-T729 WeakPolarHBondContact CA-O 3.5Å; R725-T729 WeakPolarHBondContact CG-O 3.47Å; R725-V818 HydrophobicContact CB-CB 4.26Å; R725-V818 WeakPolarHBondContact CD-O 3.19Å; R725-V818 PolarHBondContact NH1-O 3.13Å; R725-F820 VanDerWaalsContact CD-O 3.28Å; R725-F820 WeakPolarHBondContact CD-O 3.37Å; R725-F820 PolarHBondContact NE-O 3.49Å; R725-F820 VanDerWaalsContact NE-O 3.12Å; R725-E822 IonicContact CZ-OE1 2.69Å; R725-E822 IonicContact CZ-OE2 3.67Å; R725-E822 IonicContact NE-OE1 3.36Å; R725-E822 PolarHBondContact NE-OE1 3.14Å; R725-E822 IonicContact NE-OE2 2.99Å; R725-E822 PolarHBondContact NE-OE2 3.45Å; R725-E822 IonicContact NH2-OE1 3.67Å; R725-E822 IonicContact NH2-OE2 2.98Å; R725-E822 PolarHBondContact NH2-OE2 3.5Å |
| 726 | A | 85 | Confident | 92.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 147.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V696 L724 Q728 T729 Y731 | V696-A726 HydrophobicContact CG1-CB 3.04Å; L724-A726 HydrophobicContact CD1-CB 4.33Å; A726-Q728 VanDerWaalsContact C-N 3.27Å; A726-Q728 PolarHBondContact O-N 3.49Å; A726-T729 PolarHBondContact N-O 2.92Å; A726-T729 PolarHBondContact O-N 3.27Å; A726-T729 VanDerWaalsContact O-O 3.05Å; A726-Y731 HydrophobicContact CB-CE2 4.29Å |
| 727 | N | 82.1 | Confident | 92.8 | Very high | 115 Ų | 115 | 22.1 Ų | 22.1 | 62% | 0.615 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 49.6 | 179.7 | -62.2 | -19.4 | 0 | 0 | 0 | 112.7 | T729 | N727-T729 PolarHBondContact O-N 3.43Å; N727-T729 PolarHBondContact O-OG1 2.86Å |
| 728 | Q | 83.8 | Confident | 92.8 | Very high | 147 Ų | 147 | 22.1 Ų | 22.1 | 69% | 0.687 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 7.5 | -179.9 | -51.5 | 176.6 | 3.3 | 0 | 0 | 115.7 | R725 A726 E822 | R725-Q728 PolarHBondContact NH2-O 2.81Å; R725-Q728 VanDerWaalsContact NH2-O 3.14Å; A726-Q728 VanDerWaalsContact C-N 3.27Å; A726-Q728 PolarHBondContact O-N 3.49Å; Q728-E822 WeakPolarHBondContact CA-OE1 3.47Å; Q728-E822 HydrophobicContact CG-CG 4.34Å; Q728-E822 PolarHBondContact N-OE1 2.93Å |
| 729 | T | 89 | Confident | 92.7 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145 | -176.2 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | R725 A726 N727 Y731 K781 | R725-T729 WeakPolarHBondContact CA-O 3.5Å; R725-T729 WeakPolarHBondContact CG-O 3.47Å; A726-T729 PolarHBondContact N-O 2.92Å; A726-T729 PolarHBondContact O-N 3.27Å; A726-T729 VanDerWaalsContact O-O 3.05Å; N727-T729 PolarHBondContact O-N 3.43Å; N727-T729 PolarHBondContact O-OG1 2.86Å; T729-Y731 HydrophobicContact CG2-CE2 4.04Å; T729-K781 HydrophobicContact CG2-CD 4.21Å; T729-K781 HydrophobicContact CG2-CG 3.56Å |
| 730 | V | 92.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.7 | 173.8 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | L782 V818 | V730-L782 HydrophobicContact CB-CB 4.28Å; V730-L782 HydrophobicContact CG1-CD1 4.15Å; V730-L782 WeakPolarHBondContact O-CA 3.34Å; V730-L782 WeakPolarHBondContact O-CB 3.33Å; V730-L782 PolarHBondContact O-N 2.92Å; V730-V818 HydrophobicContact CG1-CB 4.2Å; V730-V818 HydrophobicContact CG1-CG2 3.92Å; V730-V818 WeakPolarHBondContact CG2-O 3.36Å |
| 731 | Y | 94.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.8 | 177.9 | -64.7 | -88.2 | 0 | 0 | 0 | 110.3 | V696 F723 L724 A726 T729 R779 L780 K781 | V696-Y731 HydrophobicContact CG1-CE2 4.41Å; F723-Y731 WeakPolarHBondContact CA-O 3.45Å; L724-Y731 HydrophobicContact CD1-CD2 3.91Å; L724-Y731 HydrophobicContact CD1-CG 4.26Å; L724-Y731 PolarHBondContact N-O 3.19Å; L724-Y731 PolarHBondContact O-N 3.44Å; A726-Y731 HydrophobicContact CB-CE2 4.29Å; T729-Y731 HydrophobicContact CG2-CE2 4.04Å; Y731-R779 HydrophobicContact CD1-CG 3.8Å; Y731-R779 HydrophobicContact CG-CG 4.29Å; Y731-L780 WeakPolarHBondContact CA-O 3.46Å; Y731-K781 HydrophobicContact CD1-CB 4.12Å; Y731-K781 HydrophobicContact CD1-CG 4.32Å; Y731-K781 HydrophobicContact CE1-CB 3.89Å; Y731-K781 HydrophobicContact CE1-CG 3.81Å |
| 732 | M | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.3 | 171.1 | -176.9 | -172.7 | -159.2 | 0 | 0 | 108.4 | W708 F723 L734 I749 F751 L780 L782 V799 | W708-M732 HydrophobicContact CE3-CE 3.96Å; W708-M732 HydrophobicContact CH2-CE 3.87Å; W708-M732 HydrophobicContact CH2-CG 4.23Å; W708-M732 HydrophobicContact CZ3-CE 3.22Å; W708-M732 HydrophobicContact CZ3-CG 4.19Å; W708-M732 HydrophobicContact CZ3-SD 4.48Å; F723-M732 HydrophobicContact CD1-CB 4.15Å; F723-M732 HydrophobicContact CD1-CG 4.29Å; F723-M732 HydrophobicContact CE1-CB 4.02Å; F723-M732 HydrophobicContact CE1-CE 4.45Å; F723-M732 HydrophobicContact CE1-CG 3.84Å; F723-M732 HydrophobicContact CE1-SD 4.34Å; F723-M732 HydrophobicContact CZ-CE 4.19Å; F723-M732 HydrophobicContact CZ-CG 4.32Å; M732-L734 HydrophobicContact CE-CD1 4.38Å; M732-L734 HydrophobicContact CE-CD2 4.08Å; M732-L734 HydrophobicContact CE-CG 4.42Å; M732-L734 HydrophobicContact CG-CD1 4.37Å; M732-L734 HydrophobicContact CG-CG 4.11Å; M732-L734 HydrophobicContact SD-CD1 4Å; M732-L734 HydrophobicContact SD-CG 4.29Å; M732-I749 HydrophobicContact CE-CD1 4.41Å; M732-I749 HydrophobicContact SD-CD1 4.17Å; M732-F751 HydrophobicContact CE-CE1 4.37Å; M732-F751 HydrophobicContact CE-CZ 4.35Å; M732-F751 HydrophobicContact SD-CE1 3.98Å; M732-F751 HydrophobicContact SD-CZ 3.56Å; M732-F751 VanDerWaalsContact SD-CZ 3.56Å; M732-L780 HydrophobicContact CB-CB 4.35Å; M732-L780 PolarHBondContact N-O 3.46Å; M732-L780 PolarHBondContact O-N 2.92Å; M732-L780 HydrophobicContact SD-CD2 4.27Å; M732-L782 HydrophobicContact CB-CD1 4.04Å; M732-L782 HydrophobicContact CB-CD2 4.26Å; M732-L782 HydrophobicContact CB-CG 4.23Å; M732-V799 HydrophobicContact CE-CG2 4.38Å |
| 733 | D | 94.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120 | 175.8 | -82.5 | 3.1 | 0 | 0 | 0 | 109 | G721 T722 L724 R779 | G721-D733 CarbonylContact C-O 3.16Å; G721-D733 WeakPolarHBondContact CA-O 3.47Å; T722-D733 HydrophobicContact CG2-CB 3.97Å; T722-D733 PolarHBondContact N-O 2.9Å; T722-D733 PolarHBondContact O-N 2.88Å; L724-D733 WeakPolarHBondContact CD2-OD2 3.23Å; D733-R779 WeakPolarHBondContact OD1-CB 3.48Å; D733-R779 WeakPolarHBondContact OD1-CD 3.47Å; D733-R779 WeakPolarHBondContact OD1-CG 3.31Å; D733-R779 IonicContact OD1-CZ 3.18Å; D733-R779 IonicContact OD1-NE 3.53Å; D733-R779 PolarHBondContact OD1-NE 2.85Å; D733-R779 IonicContact OD1-NH2 3.83Å; D733-R779 PolarHBondContact OD1-NH2 3.15Å; D733-R779 IonicContact OD2-CZ 3.22Å; D733-R779 IonicContact OD2-NE 2.73Å; D733-R779 IonicContact OD2-NH2 2.85Å; D733-R779 PolarHBondContact OD2-NH2 3.02Å |
| 734 | L | 95.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.6 | -178.3 | -75.3 | 165.5 | 0 | 0 | 0 | 110.2 | W708 S720 M732 I749 L764 D777 V778 | W708-L734 HydrophobicContact CE3-CD2 3.91Å; W708-L734 HydrophobicContact CZ3-CD2 3.57Å; S720-L734 CarbonylContact O-C 3.46Å; S720-L734 WeakPolarHBondContact O-CA 3.49Å; M732-L734 HydrophobicContact CE-CD1 4.38Å; M732-L734 HydrophobicContact CE-CD2 4.08Å; M732-L734 HydrophobicContact CE-CG 4.42Å; M732-L734 HydrophobicContact CG-CD1 4.37Å; M732-L734 HydrophobicContact CG-CG 4.11Å; M732-L734 HydrophobicContact SD-CD1 4Å; M732-L734 HydrophobicContact SD-CG 4.29Å; L734-I749 HydrophobicContact CD1-CD1 3.93Å; L734-L764 HydrophobicContact CD1-CD1 4.22Å; L734-D777 WeakPolarHBondContact O-CA 3.5Å; L734-V778 HydrophobicContact CB-CG1 3.81Å; L734-V778 PolarHBondContact N-O 3.27Å; L734-V778 PolarHBondContact O-N 3.4Å |
| 735 | T | 96.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.5 | 163.1 | -55.6 | 0 | 0 | 0 | 0 | 107.4 | K705 S720 N775 D777 | K705-T735 PolarHBondContact NZ-OG1 2.87Å; S720-T735 PolarHBondContact N-O 3.43Å; S720-T735 PolarHBondContact O-N 3.1Å; T735-N775 HydrophobicContact CG2-CB 4.2Å; T735-D777 WeakPolarHBondContact CB-OD1 3.25Å; T735-D777 PolarHBondContact OG1-OD1 3.02Å |
| 736 | I | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.2 | 177.2 | -58.3 | 175.9 | 0 | 0 | 0 | 107.8 | L717 L719 F747 V766 V770 N775 Y776 V778 | L717-I736 HydrophobicContact CD1-CG2 3.65Å; L719-I736 HydrophobicContact CD2-CB 4.17Å; L719-I736 HydrophobicContact CD2-CG1 3.7Å; L719-I736 HydrophobicContact CD2-CG2 4.16Å; I736-F747 HydrophobicContact CD1-CD1 4.3Å; I736-F747 HydrophobicContact CD1-CE1 4.43Å; I736-F747 HydrophobicContact CG2-CE1 3.88Å; I736-F747 HydrophobicContact CG2-CZ 3.84Å; I736-V766 HydrophobicContact CD1-CG2 3.55Å; I736-V770 HydrophobicContact CG2-CG2 4.32Å; I736-N775 CarbonylContact O-C 3.6Å; I736-N775 VanDerWaalsContact O-CA 3.29Å; I736-N775 WeakPolarHBondContact O-CA 3.36Å; I736-Y776 PolarHBondContact N-O 3.43Å; I736-Y776 PolarHBondContact O-N 2.67Å; I736-V778 HydrophobicContact CD1-CG1 4.12Å |
| 737 | T | 94.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.2 | 179.3 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | E718 R739 N775 | E718-T737 HydrophobicContact CB-CG2 4.47Å; E718-T737 PolarHBondContact N-O 3.29Å; E718-T737 PolarHBondContact O-N 3.45Å; T737-R739 HydrophobicContact CG2-CG 3.85Å; T737-N775 WeakPolarHBondContact CB-OD1 3.44Å; T737-N775 WeakPolarHBondContact CG2-OD1 3.39Å; T737-N775 VanDerWaalsContact OG1-CG 3.27Å; T737-N775 PolarHBondContact OG1-OD1 2.76Å |
| 738 | N | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 108.7 | 174.9 | -178 | 0.2 | 0 | 0 | 0 | 109.9 | A740 Q742 M744 V770 G773 Q774 | N738-A740 WeakPolarHBondContact OD1-CA 3.43Å; N738-A740 WeakPolarHBondContact OD1-CB 3.27Å; N738-A740 PolarHBondContact OD1-N 3.4Å; N738-Q742 PolarHBondContact ND2-O 2.84Å; N738-M744 HydrophobicContact CB-SD 4.14Å; N738-M744 WeakPolarHBondContact OD1-CE 3.49Å; N738-V770 HydrophobicContact CB-CB 4.31Å; N738-V770 HydrophobicContact CB-CG1 3.72Å; N738-V770 PolarHBondContact ND2-O 3.35Å; N738-G773 WeakPolarHBondContact O-CA 3.45Å; N738-G773 PolarHBondContact O-N 3.4Å; N738-Q774 PolarHBondContact N-O 2.67Å |
| 739 | R | 93.4 | Very high | 92.7 | Very high | 158 Ų | 158 | 41 Ų | 41 | 60% | 0.596 | 23% | 0.228 | S | C | * | . | trans | -102.2 | 5.7 | 172.1 | -54.2 | -160.3 | -176.9 | -169.9 | 2.5 | 113.5 | A711 G716 E718 T737 | A711-R739 HydrophobicContact CB-CB 4.15Å; A711-R739 HydrophobicContact CB-CG 4.14Å; G716-R739 WeakPolarHBondContact O-CA 3.47Å; G716-R739 WeakPolarHBondContact O-CB 3.49Å; G716-R739 PolarHBondContact O-N 3.41Å; E718-R739 VanDerWaalsContact CD-NH2 3.27Å; E718-R739 IonicContact OE1-CZ 3.4Å; E718-R739 IonicContact OE1-NE 3.52Å; E718-R739 PolarHBondContact OE1-NE 2.89Å; E718-R739 IonicContact OE1-NH2 3.75Å; E718-R739 PolarHBondContact OE1-NH2 3.22Å; E718-R739 IonicContact OE2-CZ 3.72Å; E718-R739 IonicContact OE2-NE 3.43Å; E718-R739 PolarHBondContact OE2-NE 3.47Å; E718-R739 VanDerWaalsContact OE2-NE 3.12Å; E718-R739 IonicContact OE2-NH1 2.79Å; E718-R739 IonicContact OE2-NH2 2.83Å; E718-R739 PolarHBondContact OE2-NH2 3.27Å; T737-R739 HydrophobicContact CG2-CG 3.85Å | ||
| 740 | A | 89.8 | Confident | 92.9 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -80.6 | 169.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N738 Q742 M744 P772 | N738-A740 WeakPolarHBondContact OD1-CA 3.43Å; N738-A740 WeakPolarHBondContact OD1-CB 3.27Å; N738-A740 PolarHBondContact OD1-N 3.4Å; A740-Q742 VanDerWaalsContact C-N 3.33Å; A740-M744 HydrophobicContact CB-CE 3.5Å; A740-P772 VanDerWaalsContact O-CB 3.27Å; A740-P772 WeakPolarHBondContact O-CB 3.34Å |
| 741 | M | 87.5 | Confident | 92.9 | Very high | 178 Ų | 178 | 47.6 Ų | 47.6 | 88% | 0.877 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -86.8 | 0.8 | 177.1 | -66.2 | -63.1 | -75.2 | 0 | 0 | 113.7 | ||
| 742 | Q | 88.9 | Confident | 92.8 | Very high | 135 Ų | 135 | 49.9 Ų | 49.9 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -123 | 146.3 | -178.6 | -65.6 | -179.5 | 4.6 | 0 | 0 | 110.4 | N738 A740 | N738-Q742 PolarHBondContact ND2-O 2.84Å; A740-Q742 VanDerWaalsContact C-N 3.33Å |
| 743 | P | 90.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 40% | 0.403 | 29% | 0.287 | S | S | . | . | trans | -64.1 | 142.2 | 173.7 | 27.9 | -33.6 | 0 | 0 | 0 | 110.6 | P769 V770 | P743-P769 HydrophobicContact CB-CB 4.37Å; P743-V770 WeakPolarHBondContact CA-O 3.23Å | ||
| 744 | M | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -108.6 | 136.6 | 178.4 | -67.6 | 173.9 | -174.2 | 0 | 0 | 110.6 | L717 N738 A740 F747 P769 V770 D804 I805 | L717-M744 HydrophobicContact CB-CE 4.03Å; L717-M744 HydrophobicContact CB-SD 3.95Å; L717-M744 HydrophobicContact CD1-SD 3.89Å; L717-M744 HydrophobicContact CG-SD 4.47Å; N738-M744 HydrophobicContact CB-SD 4.14Å; N738-M744 WeakPolarHBondContact OD1-CE 3.49Å; A740-M744 HydrophobicContact CB-CE 3.5Å; M744-F747 HydrophobicContact CB-CE2 4.01Å; M744-F747 HydrophobicContact CB-CZ 3.64Å; M744-F747 WeakPolarHBondContact O-CE2 3.42Å; M744-P769 CarbonylContact O-C 3.55Å; M744-P769 VanDerWaalsContact O-CA 3.25Å; M744-P769 WeakPolarHBondContact O-CA 3.49Å; M744-V770 PolarHBondContact N-O 3.42Å; M744-V770 PolarHBondContact O-N 2.9Å; M744-D804 WeakPolarHBondContact CA-OD1 3.32Å; M744-I805 HydrophobicContact CE-CD1 3.5Å; M744-I805 VanDerWaalsContact CE-CD1 3.5Å; M744-I805 HydrophobicContact CG-CD1 3.66Å; M744-I805 HydrophobicContact CG-CG1 4.43Å; M744-I805 HydrophobicContact SD-CD1 4.16Å |
| 745 | S | 92.2 | Very high | 92.4 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | trans | -143.7 | -179.8 | -178.7 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | F747 N803 D804 | S745-F747 PolarHBondContact O-N 3.39Å; S745-N803 CarbonylContact O-C 3.59Å; S745-N803 WeakPolarHBondContact O-CA 3.39Å; S745-N803 WeakPolarHBondContact O-CB 3.43Å; S745-D804 WeakPolarHBondContact CB-OD2 3.46Å; S745-D804 PolarHBondContact N-OD1 3.32Å; S745-D804 PolarHBondContact N-OD2 3.14Å; S745-D804 VanDerWaalsContact O-CG 3.31Å; S745-D804 PolarHBondContact O-N 3.19Å; S745-D804 PolarHBondContact OG-OD2 2.96Å | ||
| 746 | G | 88.8 | Confident | 92.2 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | trans | 68.4 | 33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 747 | F | 93.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -66.1 | 132 | -177.6 | -70.3 | -85 | 0 | 0 | 0 | 112.6 | L717 I736 M744 S745 L764 V766 V770 V801 K802 N803 | L717-F747 HydrophobicContact CD1-CE1 3.94Å; L717-F747 HydrophobicContact CD1-CZ 4.37Å; L717-F747 HydrophobicContact CD2-CE1 4.36Å; I736-F747 HydrophobicContact CD1-CD1 4.3Å; I736-F747 HydrophobicContact CD1-CE1 4.43Å; I736-F747 HydrophobicContact CG2-CE1 3.88Å; I736-F747 HydrophobicContact CG2-CZ 3.84Å; M744-F747 HydrophobicContact CB-CE2 4.01Å; M744-F747 HydrophobicContact CB-CZ 3.64Å; M744-F747 WeakPolarHBondContact O-CE2 3.42Å; S745-F747 PolarHBondContact O-N 3.39Å; F747-L764 HydrophobicContact CB-CD2 4.17Å; F747-V766 HydrophobicContact CB-CB 4.03Å; F747-V766 HydrophobicContact CB-CG2 3.74Å; F747-V766 HydrophobicContact CD2-CB 3.76Å; F747-V766 HydrophobicContact CD2-CG1 3.64Å; F747-V766 HydrophobicContact CD2-CG2 3.97Å; F747-V766 HydrophobicContact CE2-CG1 4.04Å; F747-V766 HydrophobicContact CG-CB 4.17Å; F747-V766 HydrophobicContact CG-CG1 4.44Å; F747-V766 HydrophobicContact CG-CG2 3.93Å; F747-V770 HydrophobicContact CE2-CG2 3.85Å; F747-V770 HydrophobicContact CZ-CG2 4.22Å; F747-V801 HydrophobicContact CD1-CG1 4.41Å; F747-K802 CarbonylContact C-O 3.56Å; F747-K802 WeakPolarHBondContact CA-O 3.41Å; F747-N803 HydrophobicContact CD1-CB 3.92Å; F747-N803 HydrophobicContact CE1-CB 3.84Å; F747-N803 HydrophobicContact CG-CB 4.43Å; F747-N803 HydrophobicContact CZ-CB 4.29Å | ||
| 748 | A | 92.6 | Very high | 92.1 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V801 K802 | A748-V801 CarbonylContact O-C 3.54Å; A748-V801 WeakPolarHBondContact O-CA 3.32Å; A748-K802 HydrophobicContact CB-CB 4.42Å; A748-K802 PolarHBondContact N-O 2.86Å; A748-K802 PolarHBondContact O-N 3.39Å |
| 749 | I | 94.2 | Very high | 92 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.9 | -178.7 | -165 | 165.3 | 0 | 0 | 0 | 110.6 | M732 L734 F751 P760 L764 L780 V799 A800 V801 | M732-I749 HydrophobicContact CE-CD1 4.41Å; M732-I749 HydrophobicContact SD-CD1 4.17Å; L734-I749 HydrophobicContact CD1-CD1 3.93Å; I749-F751 HydrophobicContact CD1-CE1 3.77Å; I749-F751 HydrophobicContact CG1-CD1 4.31Å; I749-F751 HydrophobicContact CG1-CE1 3.84Å; I749-P760 HydrophobicContact CG2-CB 4.42Å; I749-P760 HydrophobicContact CG2-CG 4.01Å; I749-L764 HydrophobicContact CB-CB 4.31Å; I749-L764 HydrophobicContact CB-CD2 4.14Å; I749-L764 HydrophobicContact CG2-CB 3.73Å; I749-L764 HydrophobicContact CG2-CD2 4.36Å; I749-L764 HydrophobicContact CG2-CG 4.47Å; I749-L780 HydrophobicContact CD1-CD2 4.15Å; I749-L780 HydrophobicContact CG2-CD2 3.67Å; I749-V799 HydrophobicContact CD1-CG1 3.76Å; I749-V799 HydrophobicContact CG1-CG1 3.67Å; I749-A800 CarbonylContact C-O 3.56Å; I749-A800 WeakPolarHBondContact CA-O 3.5Å; I749-V801 HydrophobicContact CB-CG2 4.32Å; I749-V801 HydrophobicContact CD1-CG2 3.85Å; I749-V801 HydrophobicContact CG1-CG2 3.76Å |
| 750 | Q | 93 | Very high | 92.1 | Very high | 148 Ų | 148 | 49.1 Ų | 49.1 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.2 | 172 | -73 | -173.7 | -5 | 0 | 0 | 109.9 | A800 | Q750-A800 PolarHBondContact N-O 2.7Å; Q750-A800 PolarHBondContact O-N 3.27Å |
| 751 | F | 94.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.9 | 175.6 | -62.2 | -6.1 | 0 | 0 | 0 | 109.1 | M732 I749 L758 P760 L780 L782 L797 V799 | M732-F751 HydrophobicContact CE-CE1 4.37Å; M732-F751 HydrophobicContact CE-CZ 4.35Å; M732-F751 HydrophobicContact SD-CE1 3.98Å; M732-F751 HydrophobicContact SD-CZ 3.56Å; M732-F751 VanDerWaalsContact SD-CZ 3.56Å; I749-F751 HydrophobicContact CD1-CE1 3.77Å; I749-F751 HydrophobicContact CG1-CD1 4.31Å; I749-F751 HydrophobicContact CG1-CE1 3.84Å; F751-L758 HydrophobicContact CD2-CB 4.42Å; F751-P760 HydrophobicContact CD1-CG 4.09Å; F751-P760 HydrophobicContact CD2-CG 4.3Å; F751-P760 HydrophobicContact CE1-CG 4Å; F751-P760 HydrophobicContact CE2-CG 4.22Å; F751-P760 HydrophobicContact CG-CG 4.22Å; F751-P760 HydrophobicContact CZ-CG 4.05Å; F751-L780 HydrophobicContact CZ-CD2 4.27Å; F751-L782 HydrophobicContact CE2-CD1 3.9Å; F751-L782 HydrophobicContact CE2-CD2 3.49Å; F751-L782 VanDerWaalsContact CE2-CD2 3.49Å; F751-L782 HydrophobicContact CE2-CG 4.3Å; F751-L782 HydrophobicContact CZ-CD1 4.37Å; F751-L782 HydrophobicContact CZ-CD2 3.63Å; F751-L797 HydrophobicContact CB-CD1 4.16Å; F751-L797 HydrophobicContact CD2-CD1 3.98Å; F751-L797 HydrophobicContact CD2-CD2 3.89Å; F751-L797 HydrophobicContact CD2-CG 4.4Å; F751-L797 HydrophobicContact CE2-CD2 3.82Å; F751-L797 HydrophobicContact CG-CD1 4.17Å; F751-L797 HydrophobicContact CG-CD2 4.31Å; F751-L797 HydrophobicContact CG-CG 4.49Å; F751-L797 HydrophobicContact CZ-CD2 4.18Å; F751-V799 HydrophobicContact CD1-CB 4.31Å; F751-V799 HydrophobicContact CD1-CG1 3.91Å; F751-V799 HydrophobicContact CD1-CG2 3.81Å; F751-V799 HydrophobicContact CE1-CG1 3.9Å; F751-V799 HydrophobicContact CE1-CG2 3.96Å |
| 752 | N | 91.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | trans | -70.2 | 165.9 | 168.5 | -155.5 | -3.3 | 0 | 0 | 0 | 110.2 | N754 Q798 | N752-N754 PolarHBondContact O-N 3.46Å; N752-N754 PolarHBondContact O-ND2 3.34Å; N752-Q798 HydrophobicContact CB-CB 3.9Å; N752-Q798 PolarHBondContact N-O 3.49Å; N752-Q798 PolarHBondContact ND2-OE1 3.42Å | ||
| 753 | K | 91.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 44.7 Ų | 44.7 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | trans | -50.3 | 143.3 | 167.3 | -57.3 | 177.6 | -175 | 162.9 | 0 | 108.6 | E294 A787 Q789 M791 | E294-K753 IonicContact OE1-NZ 2.77Å; E294-K753 PolarHBondContact OE1-NZ 3.11Å; E294-K753 VanDerWaalsContact OE1-NZ 3.15Å; K753-A787 WeakPolarHBondContact CA-O 3.33Å; K753-A787 HydrophobicContact CD-CB 4.45Å; K753-A787 HydrophobicContact CG-CB 3.85Å; K753-Q789 HydrophobicContact CB-CB 3.75Å; K753-Q789 HydrophobicContact CD-CB 4.34Å; K753-M791 WeakPolarHBondContact O-CE 3.44Å | ||
| 754 | N | 92.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -153.4 | 167.2 | -178.4 | 59.2 | 79.8 | 0 | 0 | 0 | 111.3 | N752 F756 G757 L758 A787 V788 Q789 L797 | N752-N754 PolarHBondContact O-N 3.46Å; N752-N754 PolarHBondContact O-ND2 3.34Å; N754-F756 PolarHBondContact O-N 3.1Å; N754-F756 VanDerWaalsContact O-N 3.09Å; N754-F756 PolarHBondContact OD1-N 3.31Å; N754-G757 PolarHBondContact O-N 3.03Å; N754-G757 PolarHBondContact OD1-N 3.16Å; N754-L758 PolarHBondContact ND2-N 3.25Å; N754-L758 PolarHBondContact ND2-O 3.03Å; N754-L758 PolarHBondContact OD1-N 3.07Å; N754-A787 PolarHBondContact N-O 3.33Å; N754-V788 VanDerWaalsContact O-CA 3.32Å; N754-V788 WeakPolarHBondContact O-CA 3.34Å; N754-Q789 CarbonylContact C-O 3.51Å; N754-Q789 PolarHBondContact O-N 2.84Å; N754-Q789 VanDerWaalsContact O-N 3.11Å; N754-L797 HydrophobicContact CB-CD1 4.06Å; N754-L797 WeakPolarHBondContact ND2-CD1 3.3Å |
| 755 | S | 91.9 | Very high | 92 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19 | -168.7 | -51.6 | 0 | 0 | 0 | 0 | 114.4 | Q789 M791 L794 | S755-Q789 VanDerWaalsContact CA-O 3.27Å; S755-Q789 WeakPolarHBondContact CA-O 3.3Å; S755-Q789 PolarHBondContact N-O 3.05Å; S755-M791 PolarHBondContact OG-N 3.19Å; S755-L794 WeakPolarHBondContact CB-O 3.46Å; S755-L794 PolarHBondContact OG-O 3.29Å |
| 756 | F | 93 | Very high | 91.8 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 8.2 | -177 | -68.1 | -83.2 | 0 | 0 | 0 | 113.5 | N754 L758 L794 L795 L819 L888 | N754-F756 PolarHBondContact O-N 3.1Å; N754-F756 VanDerWaalsContact O-N 3.09Å; N754-F756 PolarHBondContact OD1-N 3.31Å; F756-L758 HydrophobicContact CB-CG 4.45Å; F756-L758 PolarHBondContact O-N 3.04Å; F756-L794 HydrophobicContact CE2-CB 4.4Å; F756-L794 WeakPolarHBondContact CE2-O 3.39Å; F756-L795 HydrophobicContact CE2-CD2 3.92Å; F756-L819 HydrophobicContact CB-CD1 4.37Å; F756-L819 HydrophobicContact CB-CD2 4.45Å; F756-L819 HydrophobicContact CD1-CD1 3.82Å; F756-L819 HydrophobicContact CD2-CD1 3.63Å; F756-L819 HydrophobicContact CE1-CD1 3.94Å; F756-L819 HydrophobicContact CE2-CD1 3.76Å; F756-L819 HydrophobicContact CG-CD1 3.66Å; F756-L819 HydrophobicContact CZ-CD1 3.9Å; F756-L888 HydrophobicContact CE1-CB 4.5Å; F756-L888 HydrophobicContact CE1-CD1 3.98Å; F756-L888 HydrophobicContact CZ-CD1 4.36Å |
| 757 | G | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | 61.7 | 28.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N754 T759 T784 T785 G786 | N754-G757 PolarHBondContact O-N 3.03Å; N754-G757 PolarHBondContact OD1-N 3.16Å; G757-T759 PolarHBondContact O-N 3.04Å; G757-T784 CarbonylContact O-C 3.09Å; G757-T784 VanDerWaalsContact O-CA 3.22Å; G757-T784 WeakPolarHBondContact O-CA 3.47Å; G757-T785 PolarHBondContact O-N 3.31Å; G757-G786 VanDerWaalsContact O-CA 3.29Å; G757-G786 WeakPolarHBondContact O-CA 3.4Å; G757-G786 PolarHBondContact O-N 3.09Å | ||
| 758 | L | 94.4 | Very high | 91 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | trans | -63.5 | 129.7 | 175.9 | -73.5 | 167.7 | 0 | 0 | 0 | 110.1 | F751 N754 F756 L782 A783 T784 L797 V814 L819 | F751-L758 HydrophobicContact CD2-CB 4.42Å; N754-L758 PolarHBondContact ND2-N 3.25Å; N754-L758 PolarHBondContact ND2-O 3.03Å; N754-L758 PolarHBondContact OD1-N 3.07Å; F756-L758 HydrophobicContact CB-CG 4.45Å; F756-L758 PolarHBondContact O-N 3.04Å; L758-L782 HydrophobicContact CD2-CD1 4.35Å; L758-A783 CarbonylContact C-O 3.54Å; L758-A783 VanDerWaalsContact CA-O 3.3Å; L758-A783 WeakPolarHBondContact CA-O 3.47Å; L758-T784 HydrophobicContact CD2-CG2 3.75Å; L758-L797 HydrophobicContact CB-CD1 4.31Å; L758-V814 HydrophobicContact CD1-CG1 4.17Å; L758-V814 HydrophobicContact CD1-CG2 3.95Å; L758-L819 HydrophobicContact CD1-CD2 4.43Å; L758-L819 HydrophobicContact CD2-CD2 4.37Å | ||
| 759 | T | 94.7 | Very high | 90.7 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.1 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | G757 A761 L782 A783 | G757-T759 PolarHBondContact O-N 3.04Å; T759-A761 PolarHBondContact O-N 3.28Å; T759-L782 WeakPolarHBondContact O-CA 3.37Å; T759-A783 HydrophobicContact CG2-CB 4.14Å; T759-A783 PolarHBondContact N-O 2.95Å; T759-A783 PolarHBondContact O-N 3.48Å |
| 760 | P | 95.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 58 Ų | 58 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 126.4 | 167.2 | -23.7 | 35.7 | 0 | 0 | 0 | 109.8 | I749 F751 L780 | I749-P760 HydrophobicContact CG2-CB 4.42Å; I749-P760 HydrophobicContact CG2-CG 4.01Å; F751-P760 HydrophobicContact CD1-CG 4.09Å; F751-P760 HydrophobicContact CD2-CG 4.3Å; F751-P760 HydrophobicContact CE1-CG 4Å; F751-P760 HydrophobicContact CE2-CG 4.22Å; F751-P760 HydrophobicContact CG-CG 4.22Å; F751-P760 HydrophobicContact CZ-CG 4.05Å; P760-L780 HydrophobicContact CB-CD1 4.41Å; P760-L780 HydrophobicContact CB-CD2 4.13Å; P760-L780 HydrophobicContact CG-CD2 4.26Å |
| 761 | A | 91.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -84.2 | -18.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T759 K781 A783 | T759-A761 PolarHBondContact O-N 3.28Å; A761-K781 HydrophobicContact CB-CB 4.35Å; A761-K781 HydrophobicContact CB-CD 4.41Å; A761-K781 HydrophobicContact CB-CG 4.16Å; A761-K781 WeakPolarHBondContact CB-O 3.27Å; A761-K781 PolarHBondContact N-O 2.7Å; A761-A783 HydrophobicContact CB-CB 3.97Å |
| 762 | E | 91.7 | Very high | 90.4 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -141.3 | 156.5 | 179.6 | 65.9 | -164.1 | 172.3 | 0 | 0 | 109.2 | L780 K781 | E762-L780 HydrophobicContact CG-CD1 4.04Å; E762-L780 VanDerWaalsContact O-CD1 3.29Å; E762-L780 WeakPolarHBondContact O-CD1 3.22Å; E762-K781 VanDerWaalsContact CD-CB 3.49Å; E762-K781 HydrophobicContact CG-CB 4.05Å; E762-K781 WeakPolarHBondContact OE1-CB 3.47Å; E762-K781 PolarHBondContact OE1-N 2.95Å |
| 763 | P | 89 | Confident | 90.2 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 69% | 0.688 | 31% | 0.309 | S | S | * | . | trans | -66 | 150.7 | 174.7 | 27.5 | -33.7 | 0 | 0 | 0 | 111.2 | E765 | P763-E765 PolarHBondContact O-N 3.44Å; P763-E765 VanDerWaalsContact O-N 3.08Å | ||
| 764 | L | 90 | Very high | 90.3 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | trans | -68.9 | 104.4 | 177.1 | -175 | 67 | 0 | 0 | 0 | 110.9 | L734 F747 I749 V766 V778 L780 | L734-L764 HydrophobicContact CD1-CD1 4.22Å; F747-L764 HydrophobicContact CB-CD2 4.17Å; I749-L764 HydrophobicContact CB-CB 4.31Å; I749-L764 HydrophobicContact CB-CD2 4.14Å; I749-L764 HydrophobicContact CG2-CB 3.73Å; I749-L764 HydrophobicContact CG2-CD2 4.36Å; I749-L764 HydrophobicContact CG2-CG 4.47Å; L764-V766 HydrophobicContact CD2-CG2 4.34Å; L764-V766 HydrophobicContact CG-CG2 4.14Å; L764-V766 PolarHBondContact O-N 3.46Å; L764-V778 HydrophobicContact CD1-CG1 3.73Å; L764-V778 HydrophobicContact CD1-CG2 4.01Å; L764-L780 HydrophobicContact CD1-CB 4.47Å; L764-L780 HydrophobicContact CD1-CD1 4.37Å | ||
| 765 | E | 83.5 | Confident | 90.2 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | trans | -84.4 | 88.8 | -179 | -68.2 | -165.2 | 178.6 | 0 | 0 | 112.8 | P763 R767 | P763-E765 PolarHBondContact O-N 3.44Å; P763-E765 VanDerWaalsContact O-N 3.08Å; E765-R767 IonicContact OE2-CZ 2.76Å; E765-R767 IonicContact OE2-NE 3.65Å; E765-R767 PolarHBondContact OE2-NE 3.12Å; E765-R767 IonicContact OE2-NH2 3.43Å; E765-R767 PolarHBondContact OE2-NH2 2.94Å | ||
| 766 | V | 88.4 | Confident | 90.3 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | trans | -100.8 | 94.2 | 165.8 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | I736 F747 L764 L768 V770 Y776 | I736-V766 HydrophobicContact CD1-CG2 3.55Å; F747-V766 HydrophobicContact CB-CB 4.03Å; F747-V766 HydrophobicContact CB-CG2 3.74Å; F747-V766 HydrophobicContact CD2-CB 3.76Å; F747-V766 HydrophobicContact CD2-CG1 3.64Å; F747-V766 HydrophobicContact CD2-CG2 3.97Å; F747-V766 HydrophobicContact CE2-CG1 4.04Å; F747-V766 HydrophobicContact CG-CB 4.17Å; F747-V766 HydrophobicContact CG-CG1 4.44Å; F747-V766 HydrophobicContact CG-CG2 3.93Å; L764-V766 HydrophobicContact CD2-CG2 4.34Å; L764-V766 HydrophobicContact CG-CG2 4.14Å; L764-V766 PolarHBondContact O-N 3.46Å; V766-L768 PolarHBondContact O-N 3.12Å; V766-V770 HydrophobicContact CG1-CG2 3.92Å; V766-Y776 HydrophobicContact CB-CE1 4.36Å; V766-Y776 HydrophobicContact CG1-CD1 3.96Å; V766-Y776 HydrophobicContact CG1-CE1 4.03Å; V766-Y776 HydrophobicContact CG1-CG 4.26Å; V766-Y776 HydrophobicContact CG2-CD1 4.4Å; V766-Y776 HydrophobicContact CG2-CE1 4.39Å | ||
| 767 | R | 80.6 | Confident | 90.3 | Very high | 190 Ų | 190 | 67.5 Ų | 67.5 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | trans | -75.6 | -19.1 | -166.3 | -61.4 | -174.1 | -175.8 | 177.7 | 1.7 | 115.1 | E765 Y776 | E765-R767 IonicContact OE2-CZ 2.76Å; E765-R767 IonicContact OE2-NE 3.65Å; E765-R767 PolarHBondContact OE2-NE 3.12Å; E765-R767 IonicContact OE2-NH2 3.43Å; E765-R767 PolarHBondContact OE2-NH2 2.94Å; R767-Y776 PolarHBondContact N-OH 3.11Å | ||
| 768 | L | 84.7 | Confident | 90.4 | Very high | 123 Ų | 123 | 68.4 Ų | 68.4 | 64% | 0.644 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -127 | 142.7 | -177.5 | -68.1 | 169.6 | 0 | 0 | 0 | 109.6 | V766 V770 | V766-L768 PolarHBondContact O-N 3.12Å; L768-V770 PolarHBondContact O-N 2.89Å |
| 769 | P | 85.8 | Confident | 90.4 | Very high | 62 Ų | 62 | 72.7 Ų | 72.7 | 40% | 0.403 | 39% | 0.39 | S | S | . | . | trans | -57.7 | 123.6 | 170.7 | -22.3 | 32.7 | 0 | 0 | 0 | 110.3 | P743 M744 Q771 | P743-P769 HydrophobicContact CB-CB 4.37Å; M744-P769 CarbonylContact O-C 3.55Å; M744-P769 VanDerWaalsContact O-CA 3.25Å; M744-P769 WeakPolarHBondContact O-CA 3.49Å; P769-Q771 PolarHBondContact O-N 3.36Å; P769-Q771 PolarHBondContact O-NE2 3.31Å | ||
| 770 | V | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 110.6 | -179.6 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | I736 N738 P743 M744 F747 V766 L768 Q774 Y776 | I736-V770 HydrophobicContact CG2-CG2 4.32Å; N738-V770 HydrophobicContact CB-CB 4.31Å; N738-V770 HydrophobicContact CB-CG1 3.72Å; N738-V770 PolarHBondContact ND2-O 3.35Å; P743-V770 WeakPolarHBondContact CA-O 3.23Å; M744-V770 PolarHBondContact N-O 3.42Å; M744-V770 PolarHBondContact O-N 2.9Å; F747-V770 HydrophobicContact CE2-CG2 3.85Å; F747-V770 HydrophobicContact CZ-CG2 4.22Å; V766-V770 HydrophobicContact CG1-CG2 3.92Å; L768-V770 PolarHBondContact O-N 2.89Å; V770-Q774 HydrophobicContact CG1-CB 4.33Å; V770-Y776 HydrophobicContact CG2-CG 4.4Å |
| 771 | Q | 92.5 | Very high | 90.3 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -72.1 | 156 | -176.3 | -58.8 | -62.1 | -40.3 | 0 | 0 | 111.5 | P769 G773 Q774 | P769-Q771 PolarHBondContact O-N 3.36Å; P769-Q771 PolarHBondContact O-NE2 3.31Å; Q771-G773 PolarHBondContact O-N 2.73Å; Q771-Q774 HydrophobicContact CB-CG 4.02Å; Q771-Q774 WeakPolarHBondContact O-CB 3.1Å; Q771-Q774 PolarHBondContact O-N 3Å | ||
| 772 | P | 91.9 | Very high | 90.5 | Very high | 54 Ų | 54 | 71 Ų | 71 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 127.3 | 172.6 | -32.4 | 39.8 | 0 | 0 | 0 | 112.9 | A740 Q774 | A740-P772 VanDerWaalsContact O-CB 3.27Å; A740-P772 WeakPolarHBondContact O-CB 3.34Å; P772-Q774 VanDerWaalsContact C-N 3.29Å; P772-Q774 PolarHBondContact O-N 2.88Å |
| 773 | G | 88.9 | Confident | 90.6 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 68% | 0.68 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N738 Q771 | N738-G773 WeakPolarHBondContact O-CA 3.45Å; N738-G773 PolarHBondContact O-N 3.4Å; Q771-G773 PolarHBondContact O-N 2.73Å |
| 774 | Q | 92 | Very high | 90.7 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | trans | -94 | 154.1 | 178 | -67.6 | -171.6 | -7.2 | 0 | 0 | 112.9 | N738 V770 Q771 P772 | N738-Q774 PolarHBondContact N-O 2.67Å; V770-Q774 HydrophobicContact CG1-CB 4.33Å; Q771-Q774 HydrophobicContact CB-CG 4.02Å; Q771-Q774 WeakPolarHBondContact O-CB 3.1Å; Q771-Q774 PolarHBondContact O-N 3Å; P772-Q774 VanDerWaalsContact C-N 3.29Å; P772-Q774 PolarHBondContact O-N 2.88Å | ||
| 775 | N | 92.6 | Very high | 90.6 | Very high | 102 Ų | 102 | 70.9 Ų | 70.9 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.8 | 172 | -60 | -15.8 | 0 | 0 | 0 | 109.3 | T735 I736 T737 | T735-N775 HydrophobicContact CG2-CB 4.2Å; I736-N775 CarbonylContact O-C 3.6Å; I736-N775 VanDerWaalsContact O-CA 3.29Å; I736-N775 WeakPolarHBondContact O-CA 3.36Å; T737-N775 WeakPolarHBondContact CB-OD1 3.44Å; T737-N775 WeakPolarHBondContact CG2-OD1 3.39Å; T737-N775 VanDerWaalsContact OG1-CG 3.27Å; T737-N775 PolarHBondContact OG1-OD1 2.76Å |
| 776 | Y | 93.1 | Very high | 90.8 | Very high | 62 Ų | 62 | 67 Ų | 67 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117.5 | 173.7 | -167.5 | -88.2 | 0 | 0 | 0 | 109.5 | I736 V766 R767 V770 V778 | I736-Y776 PolarHBondContact N-O 3.43Å; I736-Y776 PolarHBondContact O-N 2.67Å; V766-Y776 HydrophobicContact CB-CE1 4.36Å; V766-Y776 HydrophobicContact CG1-CD1 3.96Å; V766-Y776 HydrophobicContact CG1-CE1 4.03Å; V766-Y776 HydrophobicContact CG1-CG 4.26Å; V766-Y776 HydrophobicContact CG2-CD1 4.4Å; V766-Y776 HydrophobicContact CG2-CE1 4.39Å; R767-Y776 PolarHBondContact N-OH 3.11Å; V770-Y776 HydrophobicContact CG2-CG 4.4Å; Y776-V778 HydrophobicContact CD1-CB 4.19Å; Y776-V778 HydrophobicContact CE1-CB 4.07Å |
| 777 | D | 93.7 | Very high | 90.7 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129 | 175.5 | -74.3 | -58.5 | 0 | 0 | 0 | 110.3 | K705 L734 T735 | K705-D777 IonicContact NZ-OD1 3.54Å; K705-D777 PolarHBondContact NZ-OD1 3.2Å; L734-D777 WeakPolarHBondContact O-CA 3.5Å; T735-D777 WeakPolarHBondContact CB-OD1 3.25Å; T735-D777 PolarHBondContact OG1-OD1 3.02Å |
| 778 | V | 93.6 | Very high | 91 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.3 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 110 | L734 I736 L764 Y776 | L734-V778 HydrophobicContact CB-CG1 3.81Å; L734-V778 PolarHBondContact N-O 3.27Å; L734-V778 PolarHBondContact O-N 3.4Å; I736-V778 HydrophobicContact CD1-CG1 4.12Å; L764-V778 HydrophobicContact CD1-CG1 3.73Å; L764-V778 HydrophobicContact CD1-CG2 4.01Å; Y776-V778 HydrophobicContact CD1-CB 4.19Å; Y776-V778 HydrophobicContact CE1-CB 4.07Å |
| 779 | R | 93.5 | Very high | 91.2 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 36% | 0.362 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.5 | 175.4 | 175.1 | 168.6 | -67.5 | 170.2 | 1 | 108.5 | Y731 D733 | Y731-R779 HydrophobicContact CD1-CG 3.8Å; Y731-R779 HydrophobicContact CG-CG 4.29Å; D733-R779 WeakPolarHBondContact OD1-CB 3.48Å; D733-R779 WeakPolarHBondContact OD1-CD 3.47Å; D733-R779 WeakPolarHBondContact OD1-CG 3.31Å; D733-R779 IonicContact OD1-CZ 3.18Å; D733-R779 IonicContact OD1-NE 3.53Å; D733-R779 PolarHBondContact OD1-NE 2.85Å; D733-R779 IonicContact OD1-NH2 3.83Å; D733-R779 PolarHBondContact OD1-NH2 3.15Å; D733-R779 IonicContact OD2-CZ 3.22Å; D733-R779 IonicContact OD2-NE 2.73Å; D733-R779 IonicContact OD2-NH2 2.85Å; D733-R779 PolarHBondContact OD2-NH2 3.02Å |
| 780 | L | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.4 | -179 | -179.1 | 69.5 | 0 | 0 | 0 | 109.9 | Y731 M732 I749 F751 P760 E762 L764 L782 | Y731-L780 WeakPolarHBondContact CA-O 3.46Å; M732-L780 HydrophobicContact CB-CB 4.35Å; M732-L780 PolarHBondContact N-O 3.46Å; M732-L780 PolarHBondContact O-N 2.92Å; M732-L780 HydrophobicContact SD-CD2 4.27Å; I749-L780 HydrophobicContact CD1-CD2 4.15Å; I749-L780 HydrophobicContact CG2-CD2 3.67Å; F751-L780 HydrophobicContact CZ-CD2 4.27Å; P760-L780 HydrophobicContact CB-CD1 4.41Å; P760-L780 HydrophobicContact CB-CD2 4.13Å; P760-L780 HydrophobicContact CG-CD2 4.26Å; E762-L780 HydrophobicContact CG-CD1 4.04Å; E762-L780 VanDerWaalsContact O-CD1 3.29Å; E762-L780 WeakPolarHBondContact O-CD1 3.22Å; L764-L780 HydrophobicContact CD1-CB 4.47Å; L764-L780 HydrophobicContact CD1-CD1 4.37Å; L780-L782 HydrophobicContact CD2-CD2 3.91Å; L780-L782 HydrophobicContact CG-CD2 4.02Å |
| 781 | K | 94.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.4 | 172 | -167.8 | -177.7 | -177.9 | -175.7 | 0 | 110.8 | T729 Y731 A761 E762 | T729-K781 HydrophobicContact CG2-CD 4.21Å; T729-K781 HydrophobicContact CG2-CG 3.56Å; Y731-K781 HydrophobicContact CD1-CB 4.12Å; Y731-K781 HydrophobicContact CD1-CG 4.32Å; Y731-K781 HydrophobicContact CE1-CB 3.89Å; Y731-K781 HydrophobicContact CE1-CG 3.81Å; A761-K781 HydrophobicContact CB-CB 4.35Å; A761-K781 HydrophobicContact CB-CD 4.41Å; A761-K781 HydrophobicContact CB-CG 4.16Å; A761-K781 WeakPolarHBondContact CB-O 3.27Å; A761-K781 PolarHBondContact N-O 2.7Å; E762-K781 VanDerWaalsContact CD-CB 3.49Å; E762-K781 HydrophobicContact CG-CB 4.05Å; E762-K781 WeakPolarHBondContact OE1-CB 3.47Å; E762-K781 PolarHBondContact OE1-N 2.95Å |
| 782 | L | 95.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.1 | 177.4 | -53.4 | -172.7 | 0 | 0 | 0 | 111.7 | F723 V730 M732 F751 L758 T759 L780 | F723-L782 HydrophobicContact CD1-CD1 4.19Å; F723-L782 HydrophobicContact CE1-CD1 4.06Å; V730-L782 HydrophobicContact CB-CB 4.28Å; V730-L782 HydrophobicContact CG1-CD1 4.15Å; V730-L782 WeakPolarHBondContact O-CA 3.34Å; V730-L782 WeakPolarHBondContact O-CB 3.33Å; V730-L782 PolarHBondContact O-N 2.92Å; M732-L782 HydrophobicContact CB-CD1 4.04Å; M732-L782 HydrophobicContact CB-CD2 4.26Å; M732-L782 HydrophobicContact CB-CG 4.23Å; F751-L782 HydrophobicContact CE2-CD1 3.9Å; F751-L782 HydrophobicContact CE2-CD2 3.49Å; F751-L782 VanDerWaalsContact CE2-CD2 3.49Å; F751-L782 HydrophobicContact CE2-CG 4.3Å; F751-L782 HydrophobicContact CZ-CD1 4.37Å; F751-L782 HydrophobicContact CZ-CD2 3.63Å; L758-L782 HydrophobicContact CD2-CD1 4.35Å; T759-L782 WeakPolarHBondContact O-CA 3.37Å; L780-L782 HydrophobicContact CD2-CD2 3.91Å; L780-L782 HydrophobicContact CG-CD2 4.02Å |
| 783 | A | 93 | Very high | 89.9 | Confident | 26 Ų | 26 | 75 Ų | 75 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 156.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | L758 T759 A761 | L758-A783 CarbonylContact C-O 3.54Å; L758-A783 VanDerWaalsContact CA-O 3.3Å; L758-A783 WeakPolarHBondContact CA-O 3.47Å; T759-A783 HydrophobicContact CG2-CB 4.14Å; T759-A783 PolarHBondContact N-O 2.95Å; T759-A783 PolarHBondContact O-N 3.48Å; A761-A783 HydrophobicContact CB-CB 3.97Å |
| 784 | T | 90.2 | Very high | 89.9 | Confident | 48 Ų | 48 | 76 Ų | 76 | 29% | 0.294 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -107.2 | 28.2 | 177 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | G757 L758 T889 | G757-T784 CarbonylContact O-C 3.09Å; G757-T784 VanDerWaalsContact O-CA 3.22Å; G757-T784 WeakPolarHBondContact O-CA 3.47Å; L758-T784 HydrophobicContact CD2-CG2 3.75Å; T784-T889 HydrophobicContact CG2-CG2 3.99Å |
| 785 | T | 88.6 | Confident | 89.9 | Confident | 126 Ų | 126 | 72.9 Ų | 72.9 | 77% | 0.773 | 39% | 0.39 | S | S | * | . | trans | -107.1 | 7.1 | -178.4 | 55.5 | 0 | 0 | 0 | 0 | 113 | G757 | G757-T785 PolarHBondContact O-N 3.31Š| ||
| 786 | G | 87.2 | Confident | 90 | Very high | 21 Ų | 21 | 71.5 Ų | 71.5 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -71.1 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G757 V788 | G757-G786 VanDerWaalsContact O-CA 3.29Å; G757-G786 WeakPolarHBondContact O-CA 3.4Å; G757-G786 PolarHBondContact O-N 3.09Å; G786-V788 PolarHBondContact O-N 3.4Å |
| 787 | A | 87.3 | Confident | 90 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | trans | -65.3 | 125.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K753 N754 | K753-A787 WeakPolarHBondContact CA-O 3.33Å; K753-A787 HydrophobicContact CD-CB 4.45Å; K753-A787 HydrophobicContact CG-CB 3.85Å; N754-A787 PolarHBondContact N-O 3.33Å | ||
| 788 | V | 87.5 | Confident | 90 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 61% | 0.606 | 36% | 0.36 | S | S | * | . | B | Isolated β-bridge | trans | -95 | 128.1 | -177 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | N754 G786 | N754-V788 VanDerWaalsContact O-CA 3.32Å; N754-V788 WeakPolarHBondContact O-CA 3.34Å; G786-V788 PolarHBondContact O-N 3.4Å |
| 789 | Q | 88 | Confident | 90.1 | Very high | 82 Ų | 82 | 66.7 Ų | 66.7 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -140.4 | 127.9 | 169.3 | -177.3 | 174.6 | 14.6 | 0 | 0 | 108.3 | K753 N754 S755 M791 | K753-Q789 HydrophobicContact CB-CB 3.75Å; K753-Q789 HydrophobicContact CD-CB 4.34Å; N754-Q789 CarbonylContact C-O 3.51Å; N754-Q789 PolarHBondContact O-N 2.84Å; N754-Q789 VanDerWaalsContact O-N 3.11Å; S755-Q789 VanDerWaalsContact CA-O 3.27Å; S755-Q789 WeakPolarHBondContact CA-O 3.3Å; S755-Q789 PolarHBondContact N-O 3.05Å; Q789-M791 HydrophobicContact CB-CE 4.23Å; Q789-M791 HydrophobicContact CG-CE 4.28Å; Q789-M791 PolarHBondContact O-N 3.22Å | ||
| 790 | K | 85 | Confident | 90.1 | Very high | 181 Ų | 181 | 63.1 Ų | 63.1 | 79% | 0.787 | 35% | 0.346 | S | S | * | . | trans | -67.4 | 116.1 | 177.6 | -174.8 | -175.7 | 177.7 | -173.3 | 0 | 108.8 | L794 | K790-L794 HydrophobicContact CG-CD2 3.93Š| ||
| 791 | M | 82.2 | Confident | 90 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 18% | 0.177 | 35% | 0.346 | C | S | . | . | trans | -92.7 | 155 | 174.1 | -62.3 | -57.9 | 178.6 | 0 | 0 | 110.7 | K753 S755 Q789 N793 | K753-M791 WeakPolarHBondContact O-CE 3.44Å; S755-M791 PolarHBondContact OG-N 3.19Å; Q789-M791 HydrophobicContact CB-CE 4.23Å; Q789-M791 HydrophobicContact CG-CE 4.28Å; Q789-M791 PolarHBondContact O-N 3.22Å; M791-N793 VanDerWaalsContact C-N 3.32Å; M791-N793 WeakPolarHBondContact CB-O 3.26Å; M791-N793 PolarHBondContact O-N 3.03Å | ||
| 792 | D | 80.9 | Confident | 89.8 | Confident | 179 Ų | 179 | 64.5 Ų | 64.5 | 96% | 0.957 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -58.6 | -46 | 175.4 | -67 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 793 | N | 86.8 | Confident | 89.6 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -94.7 | 103.5 | 164.4 | -174.5 | -7.5 | 0 | 0 | 0 | 109.5 | M791 L795 E796 | M791-N793 VanDerWaalsContact C-N 3.32Å; M791-N793 WeakPolarHBondContact CB-O 3.26Å; M791-N793 PolarHBondContact O-N 3.03Å; N793-L795 PolarHBondContact O-N 3Å; N793-L795 PolarHBondContact OD1-N 2.96Å; N793-E796 HydrophobicContact CB-CB 3.82Å; N793-E796 PolarHBondContact O-N 2.92Å; N793-E796 VanDerWaalsContact O-N 3.07Å |
| 794 | L | 88 | Confident | 89.4 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 45% | 0.45 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.2 | -174.8 | -65.7 | 175 | 0 | 0 | 0 | 114 | S755 F756 K790 | S755-L794 WeakPolarHBondContact CB-O 3.46Å; S755-L794 PolarHBondContact OG-O 3.29Å; F756-L794 HydrophobicContact CE2-CB 4.4Å; F756-L794 WeakPolarHBondContact CE2-O 3.39Å; K790-L794 HydrophobicContact CG-CD2 3.93Å |
| 795 | L | 92.8 | Very high | 89.3 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -1.8 | -176.1 | -62 | 175.4 | 0 | 0 | 0 | 113.4 | F756 N793 V813 V814 I816 L819 | F756-L795 HydrophobicContact CE2-CD2 3.92Å; N793-L795 PolarHBondContact O-N 3Å; N793-L795 PolarHBondContact OD1-N 2.96Å; L795-V813 HydrophobicContact CB-CG1 4.08Å; L795-V814 PolarHBondContact O-N 3.31Å; L795-I816 HydrophobicContact CD1-CB 3.91Å; L795-I816 HydrophobicContact CD1-CG1 4.49Å; L795-I816 HydrophobicContact CD2-CB 4.06Å; L795-I816 HydrophobicContact CD2-CD1 4.48Å; L795-I816 HydrophobicContact CD2-CG1 4.05Å; L795-L819 HydrophobicContact CD2-CD1 4.06Å |
| 796 | E | 93.7 | Very high | 89.3 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.3 | 175.7 | -171.3 | 172.6 | 86.4 | 0 | 0 | 110.7 | N793 A811 | N793-E796 HydrophobicContact CB-CB 3.82Å; N793-E796 PolarHBondContact O-N 2.92Å; N793-E796 VanDerWaalsContact O-N 3.07Å; E796-A811 HydrophobicContact CG-CB 4.03Å |
| 797 | L | 93 | Very high | 89.5 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.9 | 177.9 | -177.6 | 69.2 | 0 | 0 | 0 | 109.2 | F723 F751 N754 L758 V799 A811 C812 V814 | F723-L797 HydrophobicContact CE1-CD2 4.19Å; F723-L797 HydrophobicContact CZ-CD2 4.02Å; F751-L797 HydrophobicContact CB-CD1 4.16Å; F751-L797 HydrophobicContact CD2-CD1 3.98Å; F751-L797 HydrophobicContact CD2-CD2 3.89Å; F751-L797 HydrophobicContact CD2-CG 4.4Å; F751-L797 HydrophobicContact CE2-CD2 3.82Å; F751-L797 HydrophobicContact CG-CD1 4.17Å; F751-L797 HydrophobicContact CG-CD2 4.31Å; F751-L797 HydrophobicContact CG-CG 4.49Å; F751-L797 HydrophobicContact CZ-CD2 4.18Å; N754-L797 HydrophobicContact CB-CD1 4.06Å; N754-L797 WeakPolarHBondContact ND2-CD1 3.3Å; L758-L797 HydrophobicContact CB-CD1 4.31Å; L797-V799 HydrophobicContact CD2-CG2 4.01Å; L797-V799 HydrophobicContact CG-CG2 3.89Å; L797-A811 WeakPolarHBondContact O-CA 3.43Å; L797-C812 PolarHBondContact N-O 3.49Å; L797-C812 PolarHBondContact O-N 3.32Å; L797-V814 HydrophobicContact CB-CG2 3.78Å; L797-V814 HydrophobicContact CD2-CG2 4.1Å |
| 798 | Q | 94.4 | Very high | 89.7 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.9 | 174.3 | -63.3 | 174.8 | 3.9 | 0 | 0 | 110 | N752 A811 | N752-Q798 HydrophobicContact CB-CB 3.9Å; N752-Q798 PolarHBondContact N-O 3.49Å; N752-Q798 PolarHBondContact ND2-OE1 3.42Å; Q798-A811 HydrophobicContact CG-CB 4.45Å |
| 799 | V | 94.4 | Very high | 90 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.7 | -170.3 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | M732 I749 F751 L797 V801 Y809 F810 | M732-V799 HydrophobicContact CE-CG2 4.38Å; I749-V799 HydrophobicContact CD1-CG1 3.76Å; I749-V799 HydrophobicContact CG1-CG1 3.67Å; F751-V799 HydrophobicContact CD1-CB 4.31Å; F751-V799 HydrophobicContact CD1-CG1 3.91Å; F751-V799 HydrophobicContact CD1-CG2 3.81Å; F751-V799 HydrophobicContact CE1-CG1 3.9Å; F751-V799 HydrophobicContact CE1-CG2 3.96Å; L797-V799 HydrophobicContact CD2-CG2 4.01Å; L797-V799 HydrophobicContact CG-CG2 3.89Å; V799-V801 HydrophobicContact CG1-CG2 4.13Å; V799-Y809 WeakPolarHBondContact O-CA 3.23Å; V799-F810 HydrophobicContact CB-CD2 4.2Å; V799-F810 HydrophobicContact CB-CE1 4.08Å; V799-F810 HydrophobicContact CB-CE2 3.75Å; V799-F810 HydrophobicContact CB-CZ 3.69Å; V799-F810 HydrophobicContact CG1-CE1 3.86Å; V799-F810 HydrophobicContact CG1-CE2 4.1Å; V799-F810 HydrophobicContact CG1-CZ 3.53Å; V799-F810 HydrophobicContact CG2-CE2 4.06Å; V799-F810 HydrophobicContact CG2-CZ 4.32Å; V799-F810 PolarHBondContact N-O 3.33Å; V799-F810 PolarHBondContact O-N 3.36Å |
| 800 | A | 93.8 | Very high | 90.2 | Very high | 21 Ų | 21 | 65 Ų | 65 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I749 Q750 I807 F808 Y809 | I749-A800 CarbonylContact C-O 3.56Å; I749-A800 WeakPolarHBondContact CA-O 3.5Å; Q750-A800 PolarHBondContact N-O 2.7Å; Q750-A800 PolarHBondContact O-N 3.27Å; A800-I807 HydrophobicContact CB-CG2 4.4Å; A800-F808 CarbonylContact C-O 3.46Å; A800-F808 WeakPolarHBondContact CA-O 3.46Å; A800-Y809 HydrophobicContact CB-CD1 3.62Å; A800-Y809 HydrophobicContact CB-CE1 3.53Å |
| 801 | V | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.6 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | L717 L719 F747 A748 I749 V799 F808 F810 | L717-V801 HydrophobicContact CD2-CG1 4.48Å; L719-V801 HydrophobicContact CD1-CB 4.09Å; L719-V801 HydrophobicContact CD1-CG1 4.18Å; L719-V801 HydrophobicContact CD1-CG2 3.89Å; F747-V801 HydrophobicContact CD1-CG1 4.41Å; A748-V801 CarbonylContact O-C 3.54Å; A748-V801 WeakPolarHBondContact O-CA 3.32Å; I749-V801 HydrophobicContact CB-CG2 4.32Å; I749-V801 HydrophobicContact CD1-CG2 3.85Å; I749-V801 HydrophobicContact CG1-CG2 3.76Å; V799-V801 HydrophobicContact CG1-CG2 4.13Å; V801-F808 PolarHBondContact N-O 3.02Å; V801-F808 PolarHBondContact O-N 3.26Å; V801-F810 HydrophobicContact CB-CE1 4.48Å; V801-F810 HydrophobicContact CG2-CE1 3.76Å; V801-F810 HydrophobicContact CG2-CZ 4.32Å |
| 802 | K | 91.3 | Very high | 91.1 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 144.3 | 174.6 | 175.7 | 177.3 | 176.2 | -175.8 | 0 | 109.9 | F747 A748 I807 | F747-K802 CarbonylContact C-O 3.56Å; F747-K802 WeakPolarHBondContact CA-O 3.41Å; A748-K802 HydrophobicContact CB-CB 4.42Å; A748-K802 PolarHBondContact N-O 2.86Å; A748-K802 PolarHBondContact O-N 3.39Å; K802-I807 HydrophobicContact CB-CG1 4Å; K802-I807 HydrophobicContact CD-CD1 4.39Å; K802-I807 HydrophobicContact CD-CG1 4.17Å; K802-I807 HydrophobicContact CG-CG1 3.91Å |
| 803 | N | 91 | Very high | 91.7 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -134.1 | -166.4 | 159.5 | 67.1 | 3.9 | 0 | 0 | 0 | 110 | S745 F747 I805 D806 | S745-N803 CarbonylContact O-C 3.59Å; S745-N803 WeakPolarHBondContact O-CA 3.39Å; S745-N803 WeakPolarHBondContact O-CB 3.43Å; F747-N803 HydrophobicContact CD1-CB 3.92Å; F747-N803 HydrophobicContact CE1-CB 3.84Å; F747-N803 HydrophobicContact CG-CB 4.43Å; F747-N803 HydrophobicContact CZ-CB 4.29Å; N803-I805 VanDerWaalsContact C-N 3.25Å; N803-I805 PolarHBondContact O-N 3.14Å; N803-I805 WeakPolarHBondContact OD1-CA 3.46Å; N803-I805 WeakPolarHBondContact OD1-CB 3.24Å; N803-I805 PolarHBondContact OD1-N 2.59Å; N803-D806 PolarHBondContact N-O 2.89Å; N803-D806 PolarHBondContact OD1-N 3.12Å; N803-D806 PolarHBondContact OD1-O 3.39Å | ||
| 804 | D | 90.1 | Very high | 92 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -68.2 | -17.8 | 174.7 | 51.1 | -5.8 | 0 | 0 | 0 | 114.7 | M744 S745 | M744-D804 WeakPolarHBondContact CA-OD1 3.32Å; S745-D804 WeakPolarHBondContact CB-OD2 3.46Å; S745-D804 PolarHBondContact N-OD1 3.32Å; S745-D804 PolarHBondContact N-OD2 3.14Å; S745-D804 VanDerWaalsContact O-CG 3.31Å; S745-D804 PolarHBondContact O-N 3.19Å; S745-D804 PolarHBondContact OG-OD2 2.96Å |
| 805 | I | 86.6 | Confident | 92.2 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 32% | 0.323 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -85.7 | -55.3 | 177.5 | -57.8 | 177.8 | 0 | 0 | 0 | 110.7 | K715 M744 N803 F808 | K715-I805 HydrophobicContact CD-CG2 4.42Å; M744-I805 HydrophobicContact CE-CD1 3.5Å; M744-I805 VanDerWaalsContact CE-CD1 3.5Å; M744-I805 HydrophobicContact CG-CD1 3.66Å; M744-I805 HydrophobicContact CG-CG1 4.43Å; M744-I805 HydrophobicContact SD-CD1 4.16Å; N803-I805 VanDerWaalsContact C-N 3.25Å; N803-I805 PolarHBondContact O-N 3.14Å; N803-I805 WeakPolarHBondContact OD1-CA 3.46Å; N803-I805 WeakPolarHBondContact OD1-CB 3.24Å; N803-I805 PolarHBondContact OD1-N 2.59Å; I805-F808 HydrophobicContact CG2-CZ 4.5Å |
| 806 | D | 88.4 | Confident | 92.1 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | trans | -164.4 | -177 | -175.4 | -145.6 | -22.8 | 0 | 0 | 0 | 112.3 | K715 N803 F808 | K715-D806 IonicContact NZ-OD2 2.67Å; K715-D806 PolarHBondContact NZ-OD2 3Å; N803-D806 PolarHBondContact N-O 2.89Å; N803-D806 PolarHBondContact OD1-N 3.12Å; N803-D806 PolarHBondContact OD1-O 3.39Å; D806-F808 HydrophobicContact CB-CE1 4.09Å; D806-F808 HydrophobicContact CB-CE2 4.05Å; D806-F808 HydrophobicContact CB-CZ 3.69Å | ||
| 807 | I | 91.6 | Very high | 91.9 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.4 | 167.4 | -51.1 | 177.3 | 0 | 0 | 0 | 109 | A800 K802 Y809 | A800-I807 HydrophobicContact CB-CG2 4.4Å; K802-I807 HydrophobicContact CB-CG1 4Å; K802-I807 HydrophobicContact CD-CD1 4.39Å; K802-I807 HydrophobicContact CD-CG1 4.17Å; K802-I807 HydrophobicContact CG-CG1 3.91Å; I807-Y809 HydrophobicContact CB-CE2 4.33Å; I807-Y809 HydrophobicContact CG2-CE1 4.27Å; I807-Y809 HydrophobicContact CG2-CE2 3.82Å |
| 808 | F | 92.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.3 | -179.4 | -55.3 | -77 | 0 | 0 | 0 | 110.5 | L709 G714 K715 L717 A800 V801 I805 D806 | L709-F808 HydrophobicContact CD2-CB 3.66Å; L709-F808 HydrophobicContact CD2-CG 4.04Å; G714-F808 WeakPolarHBondContact O-CE1 3.36Å; G714-F808 WeakPolarHBondContact O-CZ 3.44Å; K715-F808 HydrophobicContact CB-CE1 4.16Å; K715-F808 HydrophobicContact CB-CZ 4.18Å; K715-F808 HydrophobicContact CD-CE1 4.23Å; K715-F808 HydrophobicContact CD-CZ 4.43Å; K715-F808 HydrophobicContact CG-CE1 4.11Å; L717-F808 HydrophobicContact CB-CE2 4.42Å; L717-F808 HydrophobicContact CD2-CD2 3.66Å; L717-F808 HydrophobicContact CD2-CE2 3.93Å; L717-F808 HydrophobicContact CD2-CG 4.49Å; A800-F808 CarbonylContact C-O 3.46Å; A800-F808 WeakPolarHBondContact CA-O 3.46Å; V801-F808 PolarHBondContact N-O 3.02Å; V801-F808 PolarHBondContact O-N 3.26Å; I805-F808 HydrophobicContact CG2-CZ 4.5Å; D806-F808 HydrophobicContact CB-CE1 4.09Å; D806-F808 HydrophobicContact CB-CE2 4.05Å; D806-F808 HydrophobicContact CB-CZ 3.69Å |
| 809 | Y | 93.1 | Very high | 91.8 | Very high | 166 Ų | 166 | 42.5 Ų | 42.5 | 65% | 0.651 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.4 | -179.2 | -57.7 | -92.2 | 0 | 0 | 0 | 109.7 | V799 A800 I807 | V799-Y809 WeakPolarHBondContact O-CA 3.23Å; A800-Y809 HydrophobicContact CB-CD1 3.62Å; A800-Y809 HydrophobicContact CB-CE1 3.53Å; I807-Y809 HydrophobicContact CB-CE2 4.33Å; I807-Y809 HydrophobicContact CG2-CE1 4.27Å; I807-Y809 HydrophobicContact CG2-CE2 3.82Å |
| 810 | F | 93.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.3 | 172.5 | 62.1 | -90.1 | 0 | 0 | 0 | 110.5 | W708 L709 L719 V799 V801 | W708-F810 HydrophobicContact CB-CD2 3.5Å; W708-F810 HydrophobicContact CB-CE2 3.69Å; W708-F810 HydrophobicContact CB-CG 4.21Å; W708-F810 HydrophobicContact CD2-CE2 4.09Å; W708-F810 AromaticContact CE3-CE2 3.7Å; W708-F810 HydrophobicContact CE3-CE2 3.7Å; W708-F810 HydrophobicContact CE3-CZ 4.2Å; W708-F810 HydrophobicContact CG-CD2 4.25Å; W708-F810 HydrophobicContact CG-CE2 4.15Å; L709-F810 HydrophobicContact CB-CD1 4.23Å; L719-F810 HydrophobicContact CD1-CD1 4.27Å; L719-F810 HydrophobicContact CD1-CE1 3.54Å; L719-F810 HydrophobicContact CD1-CZ 4.17Å; V799-F810 HydrophobicContact CB-CD2 4.2Å; V799-F810 HydrophobicContact CB-CE1 4.08Å; V799-F810 HydrophobicContact CB-CE2 3.75Å; V799-F810 HydrophobicContact CB-CZ 3.69Å; V799-F810 HydrophobicContact CG1-CE1 3.86Å; V799-F810 HydrophobicContact CG1-CE2 4.1Å; V799-F810 HydrophobicContact CG1-CZ 3.53Å; V799-F810 HydrophobicContact CG2-CE2 4.06Å; V799-F810 HydrophobicContact CG2-CZ 4.32Å; V799-F810 PolarHBondContact N-O 3.33Å; V799-F810 PolarHBondContact O-N 3.36Å; V801-F810 HydrophobicContact CB-CE1 4.48Å; V801-F810 HydrophobicContact CG2-CE1 3.76Å; V801-F810 HydrophobicContact CG2-CZ 4.32Å |
| 811 | A | 92.5 | Very high | 91.6 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E796 L797 Q798 | E796-A811 HydrophobicContact CG-CB 4.03Å; L797-A811 WeakPolarHBondContact O-CA 3.43Å; Q798-A811 HydrophobicContact CG-CB 4.45Å |
| 812 | C | 93 | Very high | 91.4 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.1 | 176.1 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | W708 L797 | W708-C812 HydrophobicContact CD2-CB 3.72Å; W708-C812 HydrophobicContact CE3-CB 4.45Å; W708-C812 HydrophobicContact CG-CB 3.79Å; W708-C812 HydrophobicContact CZ2-CB 4.09Å; L797-C812 PolarHBondContact N-O 3.49Å; L797-C812 PolarHBondContact O-N 3.32Å |
| 813 | V | 93.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 44.8 Ų | 44.8 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.1 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L795 P815 | L795-V813 HydrophobicContact CB-CG1 4.08Å; V813-P815 WeakPolarHBondContact O-CD 3.39Å |
| 814 | V | 92.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 121.2 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | F723 L758 L795 L797 I816 V818 | F723-V814 HydrophobicContact CD1-CG1 4.5Å; F723-V814 HydrophobicContact CE1-CG2 4.24Å; F723-V814 HydrophobicContact CE2-CG2 4.08Å; F723-V814 HydrophobicContact CG-CG1 4.35Å; F723-V814 HydrophobicContact CZ-CG2 3.91Å; L758-V814 HydrophobicContact CD1-CG1 4.17Å; L758-V814 HydrophobicContact CD1-CG2 3.95Å; L795-V814 PolarHBondContact O-N 3.31Å; L797-V814 HydrophobicContact CB-CG2 3.78Å; L797-V814 HydrophobicContact CD2-CG2 4.1Å; V814-I816 PolarHBondContact O-N 3.31Å; V814-V818 HydrophobicContact CG1-CG2 3.6Å |
| 815 | P | 92.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59 | 122.5 | 174.4 | -23 | 33.6 | 0 | 0 | 0 | 110.9 | A703 V813 N817 V818 | A703-P815 HydrophobicContact CB-CG 4.14Å; V813-P815 WeakPolarHBondContact O-CD 3.39Å; P815-N817 WeakPolarHBondContact CB-OD1 3.32Å; P815-N817 PolarHBondContact O-N 3.48Å; P815-V818 VanDerWaalsContact O-CG2 3.23Å; P815-V818 WeakPolarHBondContact O-CG2 3.35Å; P815-V818 PolarHBondContact O-N 2.93Å; P815-V818 VanDerWaalsContact O-N 3.08Å |
| 816 | I | 91.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 46 Ų | 46 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -57.7 | -27.8 | -173.4 | -163.3 | 170.2 | 0 | 0 | 0 | 113.2 | L795 V814 V818 L819 F820 | L795-I816 HydrophobicContact CD1-CB 3.91Å; L795-I816 HydrophobicContact CD1-CG1 4.49Å; L795-I816 HydrophobicContact CD2-CB 4.06Å; L795-I816 HydrophobicContact CD2-CD1 4.48Å; L795-I816 HydrophobicContact CD2-CG1 4.05Å; V814-I816 PolarHBondContact O-N 3.31Å; I816-V818 PolarHBondContact O-N 2.94Å; I816-L819 WeakPolarHBondContact O-CB 3.33Å; I816-L819 PolarHBondContact O-N 3.43Å; I816-F820 HydrophobicContact CD1-CE1 4.43Å; I816-F820 HydrophobicContact CG1-CE1 3.86Å; I816-F820 HydrophobicContact CG1-CZ 4.3Å; I816-F820 HydrophobicContact CG2-CE1 4.34Å; I816-F820 HydrophobicContact CG2-CZ 3.92Å; I816-F820 WeakPolarHBondContact O-CD1 3.29Å; I816-F820 WeakPolarHBondContact O-CE1 3.33Å |
| 817 | N | 90.1 | Very high | 90.8 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -63.8 | -23 | -179.4 | 67.8 | -70.6 | 0 | 0 | 0 | 113.9 | Y701 P815 L819 F820 | Y701-N817 PolarHBondContact O-ND2 3.3Å; P815-N817 WeakPolarHBondContact CB-OD1 3.32Å; P815-N817 PolarHBondContact O-N 3.48Å; N817-L819 PolarHBondContact O-N 3.39Å; N817-F820 HydrophobicContact CB-CD2 4.06Å; N817-F820 HydrophobicContact CB-CE2 3.99Å; N817-F820 PolarHBondContact O-N 2.93Å |
| 818 | V | 92.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -73.2 | -15.4 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | F723 R725 V730 V814 P815 I816 | F723-V818 HydrophobicContact CB-CG1 4.05Å; F723-V818 HydrophobicContact CB-CG2 4.21Å; R725-V818 HydrophobicContact CB-CB 4.26Å; R725-V818 WeakPolarHBondContact CD-O 3.19Å; R725-V818 PolarHBondContact NH1-O 3.13Å; V730-V818 HydrophobicContact CG1-CB 4.2Å; V730-V818 HydrophobicContact CG1-CG2 3.92Å; V730-V818 WeakPolarHBondContact CG2-O 3.36Å; V814-V818 HydrophobicContact CG1-CG2 3.6Å; P815-V818 VanDerWaalsContact O-CG2 3.23Å; P815-V818 WeakPolarHBondContact O-CG2 3.35Å; P815-V818 PolarHBondContact O-N 2.93Å; P815-V818 VanDerWaalsContact O-N 3.08Å; I816-V818 PolarHBondContact O-N 2.94Å |
| 819 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -90.9 | -2.7 | 177.9 | -55.2 | 174.7 | 0 | 0 | 0 | 112.7 | F756 L758 L795 I816 N817 L888 T889 | F756-L819 HydrophobicContact CB-CD1 4.37Å; F756-L819 HydrophobicContact CB-CD2 4.45Å; F756-L819 HydrophobicContact CD1-CD1 3.82Å; F756-L819 HydrophobicContact CD2-CD1 3.63Å; F756-L819 HydrophobicContact CE1-CD1 3.94Å; F756-L819 HydrophobicContact CE2-CD1 3.76Å; F756-L819 HydrophobicContact CG-CD1 3.66Å; F756-L819 HydrophobicContact CZ-CD1 3.9Å; L758-L819 HydrophobicContact CD1-CD2 4.43Å; L758-L819 HydrophobicContact CD2-CD2 4.37Å; L795-L819 HydrophobicContact CD2-CD1 4.06Å; I816-L819 WeakPolarHBondContact O-CB 3.33Å; I816-L819 PolarHBondContact O-N 3.43Å; N817-L819 PolarHBondContact O-N 3.39Å; L819-L888 CarbonylContact O-C 3.58Å; L819-L888 WeakPolarHBondContact O-CA 3.39Å; L819-T889 HydrophobicContact CD2-CG2 4.49Å; L819-T889 PolarHBondContact O-N 2.65Å |
| 820 | F | 92.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 120.9 | 178.7 | -60 | -14.6 | 0 | 0 | 0 | 110.7 | R725 I816 N817 N866 N867 V868 L886 K887 L888 | R725-F820 VanDerWaalsContact CD-O 3.28Å; R725-F820 WeakPolarHBondContact CD-O 3.37Å; R725-F820 PolarHBondContact NE-O 3.49Å; R725-F820 VanDerWaalsContact NE-O 3.12Å; I816-F820 HydrophobicContact CD1-CE1 4.43Å; I816-F820 HydrophobicContact CG1-CE1 3.86Å; I816-F820 HydrophobicContact CG1-CZ 4.3Å; I816-F820 HydrophobicContact CG2-CE1 4.34Å; I816-F820 HydrophobicContact CG2-CZ 3.92Å; I816-F820 WeakPolarHBondContact O-CD1 3.29Å; I816-F820 WeakPolarHBondContact O-CE1 3.33Å; N817-F820 HydrophobicContact CB-CD2 4.06Å; N817-F820 HydrophobicContact CB-CE2 3.99Å; N817-F820 PolarHBondContact O-N 2.93Å; F820-N866 VanDerWaalsContact CD2-O 3.29Å; F820-N866 WeakPolarHBondContact CD2-O 3.49Å; F820-N867 HydrophobicContact CB-CB 3.97Å; F820-N867 PolarHBondContact O-ND2 3.34Å; F820-V868 HydrophobicContact CD2-CG2 3.63Å; F820-V868 HydrophobicContact CE2-CG2 3.68Å; F820-L886 HydrophobicContact CD1-CD1 3.95Å; F820-L886 HydrophobicContact CD1-CD2 4.49Å; F820-L886 HydrophobicContact CE1-CD1 3.93Å; F820-L886 HydrophobicContact CE1-CD2 4.09Å; F820-L886 HydrophobicContact CE2-CD2 4.2Å; F820-L886 HydrophobicContact CZ-CD2 3.94Å; F820-K887 WeakPolarHBondContact CA-O 3.22Å; F820-L888 HydrophobicContact CD1-CD2 3.55Å; F820-L888 HydrophobicContact CE1-CD2 3.65Å |
| 821 | T | 90.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | trans | -88.3 | 152.1 | -176.9 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | D823 G824 K887 T889 | T821-D823 WeakPolarHBondContact CB-OD1 3.11Å; T821-D823 PolarHBondContact O-N 3.46Å; T821-D823 PolarHBondContact OG1-OD1 2.91Å; T821-G824 PolarHBondContact O-N 2.96Å; T821-K887 PolarHBondContact N-O 3.35Å; T821-K887 WeakPolarHBondContact OG1-CB 3.34Å; T821-K887 PolarHBondContact OG1-O 3.3Å; T821-T889 HydrophobicContact CG2-CG2 3.96Å | ||
| 822 | E | 87 | Confident | 88.9 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.1 | -176.5 | -64.8 | 76.5 | -176.7 | 0 | 0 | 112.8 | R725 Q728 G824 F869 | R725-E822 IonicContact CZ-OE1 2.69Å; R725-E822 IonicContact CZ-OE2 3.67Å; R725-E822 IonicContact NE-OE1 3.36Å; R725-E822 PolarHBondContact NE-OE1 3.14Å; R725-E822 IonicContact NE-OE2 2.99Å; R725-E822 PolarHBondContact NE-OE2 3.45Å; R725-E822 IonicContact NH2-OE1 3.67Å; R725-E822 IonicContact NH2-OE2 2.98Å; R725-E822 PolarHBondContact NH2-OE2 3.5Å; Q728-E822 WeakPolarHBondContact CA-OE1 3.47Å; Q728-E822 HydrophobicContact CG-CG 4.34Å; Q728-E822 PolarHBondContact N-OE1 2.93Å; E822-G824 VanDerWaalsContact C-N 3.31Å; E822-F869 WeakPolarHBondContact O-CZ 3.25Å |
| 823 | D | 87.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 63.7 Ų | 63.7 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 21.5 | 177.1 | 71.5 | -37.4 | 0 | 0 | 0 | 113.4 | T821 Q825 K887 | T821-D823 WeakPolarHBondContact CB-OD1 3.11Å; T821-D823 PolarHBondContact O-N 3.46Å; T821-D823 PolarHBondContact OG1-OD1 2.91Å; D823-Q825 VanDerWaalsContact C-N 3.28Å; D823-Q825 PolarHBondContact O-N 3.23Å; D823-K887 IonicContact OD2-NZ 3.08Å; D823-K887 PolarHBondContact OD2-NZ 3.44Å |
| 824 | G | 84.8 | Confident | 88 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | trans | -76.9 | -2.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | T821 E822 M826 S885 | T821-G824 PolarHBondContact O-N 2.96Å; E822-G824 VanDerWaalsContact C-N 3.31Å; G824-M826 PolarHBondContact O-N 2.9Å; G824-S885 CarbonylContact O-C 3.6Å; G824-S885 WeakPolarHBondContact O-CB 3.34Å; G824-S885 PolarHBondContact O-OG 3.48Å | ||
| 825 | Q | 87.8 | Confident | 87.6 | Confident | 144 Ų | 144 | 64.1 Ų | 64.1 | 67% | 0.673 | 31% | 0.31 | S | S | * | . | trans | -76.4 | 123.4 | -179.8 | -172.8 | 174.8 | 7.6 | 0 | 0 | 111.2 | D823 F869 | D823-Q825 VanDerWaalsContact C-N 3.28Å; D823-Q825 PolarHBondContact O-N 3.23Å; Q825-F869 HydrophobicContact CB-CB 4.08Å; Q825-F869 HydrophobicContact CB-CD1 3.99Å; Q825-F869 HydrophobicContact CB-CD2 4.01Å; Q825-F869 HydrophobicContact CB-CE1 4.44Å; Q825-F869 HydrophobicContact CB-CE2 4.46Å; Q825-F869 HydrophobicContact CB-CG 3.74Å; Q825-F869 HydrophobicContact CG-CB 4.14Å; Q825-F869 HydrophobicContact CG-CD1 4.4Å; Q825-F869 HydrophobicContact CG-CG 4.25Å; Q825-F869 VanDerWaalsContact N-CD2 3.34Å | ||
| 826 | M | 87.1 | Confident | 87.1 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | trans | -110.8 | 142.7 | -178.2 | -162.5 | 177.3 | -60.7 | 0 | 0 | 112.2 | G824 L830 F831 S885 E893 L895 | G824-M826 PolarHBondContact O-N 2.9Å; M826-L830 HydrophobicContact CG-CB 3.88Å; M826-L830 HydrophobicContact SD-CB 4.27Å; M826-F831 HydrophobicContact CG-CB 4.41Å; M826-F831 HydrophobicContact SD-CB 4.11Å; M826-F831 HydrophobicContact SD-CD2 4.44Å; M826-S885 PolarHBondContact N-OG 2.9Å; M826-S885 VanDerWaalsContact N-OG 3.11Å; M826-E893 HydrophobicContact CE-CB 4.14Å; M826-E893 HydrophobicContact CE-CG 4.31Å; M826-E893 WeakPolarHBondContact CE-OE2 3.34Å; M826-L895 HydrophobicContact CE-CD2 3.64Å; M826-L895 HydrophobicContact SD-CD2 4.04Å | ||
| 827 | D | 87.6 | Confident | 86.6 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | trans | -66.5 | 141.5 | 172.2 | -80.7 | -55.5 | 0 | 0 | 0 | 111.4 | R829 L830 F831 | D827-R829 PolarHBondContact O-N 3.13Å; D827-L830 HydrophobicContact CB-CB 4.4Å; D827-L830 HydrophobicContact CB-CD1 4.17Å; D827-L830 HydrophobicContact CB-CG 4.49Å; D827-L830 PolarHBondContact O-N 3.39Å; D827-F831 PolarHBondContact O-N 2.93Å | ||
| 828 | K | 83.9 | Confident | 85.8 | Confident | 134 Ų | 134 | 74.3 Ų | 74.3 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -50.2 | -38.2 | 179.2 | -73.6 | 179.7 | 174.8 | 177.6 | 0 | 114.1 | L832 V871 | K828-L832 WeakPolarHBondContact O-CB 3.33Å; K828-L832 VanDerWaalsContact O-CG 3.31Å; K828-L832 WeakPolarHBondContact O-CG 3.32Å; K828-L832 PolarHBondContact O-N 3.49Å; K828-V871 HydrophobicContact CB-CG1 4.34Å; K828-V871 WeakPolarHBondContact CE-O 3.43Å; K828-V871 HydrophobicContact CG-CG1 3.71Å |
| 829 | R | 84.2 | Confident | 85.1 | Confident | 200 Ų | 200 | 77.1 Ų | 77.1 | 76% | 0.755 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70 | -41.3 | 179.3 | -173 | -179.7 | 66.9 | 135.7 | 2 | 111.9 | D827 Q833 | D827-R829 PolarHBondContact O-N 3.13Å; R829-Q833 PolarHBondContact O-N 3.41Å |
| 830 | L | 85.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 45% | 0.445 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 176.8 | -76.9 | 165.9 | 0 | 0 | 0 | 110.2 | M826 D827 L832 Q833 A834 | M826-L830 HydrophobicContact CG-CB 3.88Å; M826-L830 HydrophobicContact SD-CB 4.27Å; D827-L830 HydrophobicContact CB-CB 4.4Å; D827-L830 HydrophobicContact CB-CD1 4.17Å; D827-L830 HydrophobicContact CB-CG 4.49Å; D827-L830 PolarHBondContact O-N 3.39Å; L830-L832 PolarHBondContact O-N 2.77Å; L830-Q833 PolarHBondContact O-N 3.41Å; L830-Q833 VanDerWaalsContact O-N 3.15Å; L830-A834 WeakPolarHBondContact O-CB 3.49Å; L830-A834 PolarHBondContact O-N 3.26Å |
| 831 | F | 86.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 88 Ų | 88 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -55.7 | -50.5 | 174.8 | -175.9 | -85.8 | 0 | 0 | 0 | 112 | M826 D827 Q833 A834 W835 V871 Y883 H884 L895 | M826-F831 HydrophobicContact CG-CB 4.41Å; M826-F831 HydrophobicContact SD-CB 4.11Å; M826-F831 HydrophobicContact SD-CD2 4.44Å; D827-F831 PolarHBondContact O-N 2.93Å; F831-Q833 VanDerWaalsContact C-N 3.26Å; F831-Q833 PolarHBondContact O-N 3.02Å; F831-A834 PolarHBondContact O-N 3.01Å; F831-W835 HydrophobicContact CE1-CB 4.38Å; F831-W835 HydrophobicContact CE1-CD2 4.23Å; F831-W835 AromaticContact CE1-CE3 3.85Å; F831-W835 HydrophobicContact CE1-CE3 3.85Å; F831-W835 HydrophobicContact CE1-CG 4.47Å; F831-W835 HydrophobicContact CE2-CE3 4.31Å; F831-W835 HydrophobicContact CZ-CD2 4.32Å; F831-W835 AromaticContact CZ-CE3 3.5Å; F831-W835 HydrophobicContact CZ-CE3 3.5Å; F831-W835 VanDerWaalsContact CZ-CE3 3.5Å; F831-W835 AromaticContact CZ-CZ3 3.93Å; F831-W835 HydrophobicContact CZ-CZ3 3.93Å; F831-W835 WeakPolarHBondContact O-CB 3.37Å; F831-W835 PolarHBondContact O-N 2.87Å; F831-V871 HydrophobicContact CB-CG1 3.86Å; F831-V871 HydrophobicContact CD1-CG1 4.37Å; F831-V871 HydrophobicContact CD2-CB 4.25Å; F831-V871 HydrophobicContact CD2-CG1 4.23Å; F831-V871 HydrophobicContact CD2-CG2 3.86Å; F831-V871 HydrophobicContact CE2-CG2 4.34Å; F831-V871 HydrophobicContact CG-CB 4.36Å; F831-V871 HydrophobicContact CG-CG1 3.89Å; F831-V871 HydrophobicContact CG-CG2 4.36Å; F831-Y883 AromaticContact CE1-CD1 3.89Å; F831-Y883 HydrophobicContact CE1-CD1 3.89Å; F831-Y883 HydrophobicContact CE1-CG 4.23Å; F831-Y883 HydrophobicContact CZ-CD1 4.1Å; F831-Y883 HydrophobicContact CZ-CG 4.44Å; F831-H884 WeakPolarHBondContact CE2-O 3.43Å; F831-L895 HydrophobicContact CD2-CD1 4.36Å; F831-L895 HydrophobicContact CD2-CD2 3.76Å; F831-L895 HydrophobicContact CD2-CG 4.47Å; F831-L895 HydrophobicContact CE2-CB 3.82Å; F831-L895 HydrophobicContact CE2-CD1 4.22Å; F831-L895 HydrophobicContact CE2-CD2 3.74Å; F831-L895 HydrophobicContact CE2-CG 4.13Å; F831-L895 HydrophobicContact CZ-CB 4.21Å |
| 832 | L | 83.8 | Confident | 82.5 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -29.8 | 179.4 | -76.1 | 170.4 | 0 | 0 | 0 | 113.4 | K828 L830 K836 | K828-L832 WeakPolarHBondContact O-CB 3.33Å; K828-L832 VanDerWaalsContact O-CG 3.31Å; K828-L832 WeakPolarHBondContact O-CG 3.32Å; K828-L832 PolarHBondContact O-N 3.49Å; L830-L832 PolarHBondContact O-N 2.77Å; L832-K836 VanDerWaalsContact O-CG 3.28Å; L832-K836 WeakPolarHBondContact O-CG 3.43Å; L832-K836 PolarHBondContact O-N 2.93Å |
| 833 | Q | 85 | Confident | 81.9 | Confident | 112 Ų | 112 | 94 Ų | 94 | 52% | 0.523 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.5 | -51.9 | 175.5 | -174.4 | 178.5 | -13.3 | 0 | 0 | 110.1 | R829 L830 F831 W835 K836 D837 | R829-Q833 PolarHBondContact O-N 3.41Å; L830-Q833 PolarHBondContact O-N 3.41Å; L830-Q833 VanDerWaalsContact O-N 3.15Å; F831-Q833 VanDerWaalsContact C-N 3.26Å; F831-Q833 PolarHBondContact O-N 3.02Å; Q833-W835 VanDerWaalsContact C-N 3.33Å; Q833-W835 PolarHBondContact O-N 2.93Å; Q833-K836 PolarHBondContact O-N 3.23Å; Q833-K836 VanDerWaalsContact O-N 3.16Å; Q833-D837 PolarHBondContact O-N 3.41Å; Q833-D837 VanDerWaalsContact O-N 3.12Å |
| 834 | A | 83.5 | Confident | 81.6 | Confident | 31 Ų | 31 | 92.8 Ų | 92.8 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L830 F831 K836 D837 I838 L895 | L830-A834 WeakPolarHBondContact O-CB 3.49Å; L830-A834 PolarHBondContact O-N 3.26Å; F831-A834 PolarHBondContact O-N 3.01Å; A834-K836 VanDerWaalsContact C-N 3.31Å; A834-K836 PolarHBondContact O-N 3.44Å; A834-D837 PolarHBondContact O-N 3.32Å; A834-D837 VanDerWaalsContact O-N 3.11Å; A834-I838 WeakPolarHBondContact O-CG1 3.39Å; A834-I838 PolarHBondContact O-N 2.87Å; A834-L895 HydrophobicContact CB-CD1 3.82Å |
| 835 | W | 82.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 24% | 0.242 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 177.2 | -168.6 | -82.2 | 0 | 0 | 0 | 113 | F831 Q833 D837 L895 E897 | F831-W835 HydrophobicContact CE1-CB 4.38Å; F831-W835 HydrophobicContact CE1-CD2 4.23Å; F831-W835 AromaticContact CE1-CE3 3.85Å; F831-W835 HydrophobicContact CE1-CE3 3.85Å; F831-W835 HydrophobicContact CE1-CG 4.47Å; F831-W835 HydrophobicContact CE2-CE3 4.31Å; F831-W835 HydrophobicContact CZ-CD2 4.32Å; F831-W835 AromaticContact CZ-CE3 3.5Å; F831-W835 HydrophobicContact CZ-CE3 3.5Å; F831-W835 VanDerWaalsContact CZ-CE3 3.5Å; F831-W835 AromaticContact CZ-CZ3 3.93Å; F831-W835 HydrophobicContact CZ-CZ3 3.93Å; F831-W835 WeakPolarHBondContact O-CB 3.37Å; F831-W835 PolarHBondContact O-N 2.87Å; Q833-W835 VanDerWaalsContact C-N 3.33Å; Q833-W835 PolarHBondContact O-N 2.93Å; W835-D837 VanDerWaalsContact C-N 3.32Å; W835-L895 HydrophobicContact CB-CD1 4.22Å; W835-L895 HydrophobicContact CE3-CB 3.6Å; W835-L895 HydrophobicContact CE3-CD1 3.94Å; W835-L895 HydrophobicContact CE3-CG 4.43Å; W835-L895 HydrophobicContact CZ3-CB 3.62Å; W835-E897 HydrophobicContact CH2-CB 3.78Å; W835-E897 HydrophobicContact CZ2-CB 4.12Å |
| 836 | K | 81.7 | Confident | 81.1 | Confident | 170 Ų | 170 | 96.7 Ų | 96.7 | 74% | 0.739 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.6 | -24.6 | 177.2 | -76 | 178.5 | -179.2 | -174.5 | 0 | 113.3 | L832 Q833 A834 | L832-K836 VanDerWaalsContact O-CG 3.28Å; L832-K836 WeakPolarHBondContact O-CG 3.43Å; L832-K836 PolarHBondContact O-N 2.93Å; Q833-K836 PolarHBondContact O-N 3.23Å; Q833-K836 VanDerWaalsContact O-N 3.16Å; A834-K836 VanDerWaalsContact C-N 3.31Å; A834-K836 PolarHBondContact O-N 3.44Å |
| 837 | D | 80.9 | Confident | 80.8 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -84.6 | -12 | -179.2 | -68.7 | -19.7 | 0 | 0 | 0 | 111.9 | Q833 A834 W835 P839 | Q833-D837 PolarHBondContact O-N 3.41Å; Q833-D837 VanDerWaalsContact O-N 3.12Å; A834-D837 PolarHBondContact O-N 3.32Å; A834-D837 VanDerWaalsContact O-N 3.11Å; W835-D837 VanDerWaalsContact C-N 3.32Å; D837-P839 WeakPolarHBondContact O-CD 3.41Å |
| 838 | I | 74.4 | Confident | 80.2 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -74.8 | 120.4 | 174.6 | -65.1 | 167.1 | 0 | 0 | 0 | 109.5 | A834 N842 L895 | A834-I838 WeakPolarHBondContact O-CG1 3.39Å; A834-I838 PolarHBondContact O-N 2.87Å; I838-N842 HydrophobicContact CG2-CB 4.08Å; I838-L895 HydrophobicContact CD1-CD1 3.85Å; I838-L895 HydrophobicContact CD1-CG 4.35Å |
| 839 | P | 76.9 | Confident | 79.6 | Confident | 61 Ų | 61 | 92.7 Ų | 92.7 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | trans | -59.1 | 136.9 | 172.7 | -23.8 | 34.9 | 0 | 0 | 0 | 111.4 | D837 E841 N842 | D837-P839 WeakPolarHBondContact O-CD 3.41Å; P839-E841 HydrophobicContact CB-CG 3.78Å; P839-E841 PolarHBondContact O-N 2.91Å; P839-N842 WeakPolarHBondContact O-CB 3.37Å; P839-N842 PolarHBondContact O-N 2.83Å | ||
| 840 | A | 73 | Confident | 78.6 | Confident | 85 Ų | 85 | 90.3 Ų | 90.3 | 70% | 0.702 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | N842 E843 | A840-N842 VanDerWaalsContact C-N 3.26Å; A840-N842 PolarHBondContact O-N 3.4Å; A840-E843 PolarHBondContact O-N 3.21Å |
| 841 | E | 75.5 | Confident | 77.6 | Confident | 167 Ų | 167 | 88.6 Ų | 88.6 | 78% | 0.78 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -69.6 | -18.9 | 174.5 | 59.7 | -166.5 | -169.2 | 0 | 0 | 114.1 | P839 | P839-E841 HydrophobicContact CB-CG 3.78Å; P839-E841 PolarHBondContact O-N 2.91Å |
| 842 | N | 73.1 | Confident | 76.4 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -91.4 | -7.9 | 176.7 | -67.8 | -23.5 | 0 | 0 | 0 | 112.9 | I838 P839 A840 V844 | I838-N842 HydrophobicContact CG2-CB 4.08Å; P839-N842 WeakPolarHBondContact O-CB 3.37Å; P839-N842 PolarHBondContact O-N 2.83Å; A840-N842 VanDerWaalsContact C-N 3.26Å; A840-N842 PolarHBondContact O-N 3.4Å; N842-V844 PolarHBondContact O-N 3.26Å |
| 843 | E | 75.1 | Confident | 75.3 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | trans | -71.9 | 123.4 | 178.3 | -172.9 | 179.2 | 171.2 | 0 | 0 | 109.6 | A840 F910 F911 | A840-E843 PolarHBondContact O-N 3.21Å; E843-F910 VanDerWaalsContact OE1-CD1 3.24Å; E843-F910 WeakPolarHBondContact OE1-CD1 3.38Å; E843-F911 VanDerWaalsContact CA-O 3.3Å; E843-F911 WeakPolarHBondContact CA-O 3.29Å | ||
| 844 | V | 80.1 | Confident | 74.4 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | trans | -121 | 128.5 | 179.4 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | N842 F846 F910 F911 | N842-V844 PolarHBondContact O-N 3.26Å; V844-F846 HydrophobicContact CB-CE2 3.87Å; V844-F846 HydrophobicContact CB-CZ 4.31Å; V844-F846 HydrophobicContact CG1-CD2 4.25Å; V844-F846 HydrophobicContact CG1-CE1 4.29Å; V844-F846 HydrophobicContact CG1-CE2 3.43Å; V844-F846 VanDerWaalsContact CG1-CE2 3.43Å; V844-F846 HydrophobicContact CG1-CZ 3.46Å; V844-F846 VanDerWaalsContact CG1-CZ 3.46Å; V844-F910 WeakPolarHBondContact O-CA 3.4Å; V844-F911 PolarHBondContact N-O 3.13Å; V844-F911 PolarHBondContact O-N 2.68Å | ||
| 845 | Q | 81.7 | Confident | 73.9 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.8 | 179.9 | -177.6 | -176 | -21.7 | 0 | 0 | 111.4 | T908 V909 F910 | Q845-T908 HydrophobicContact CG-CG2 3.52Å; Q845-V909 CarbonylContact C-O 3.47Å; Q845-V909 WeakPolarHBondContact CA-O 3.43Å; Q845-F910 HydrophobicContact CB-CD1 3.97Å; Q845-F910 HydrophobicContact CB-CE1 3.9Å; Q845-F910 VanDerWaalsContact CD-CE1 3.49Å; Q845-F910 HydrophobicContact CG-CD1 4.02Å; Q845-F910 HydrophobicContact CG-CE1 3.6Å; Q845-F910 HydrophobicContact CG-CE2 4.4Å; Q845-F910 HydrophobicContact CG-CZ 3.8Å; Q845-F910 VanDerWaalsContact OE1-CE1 3.31Å |
| 846 | F | 81.8 | Confident | 73.5 | Confident | 111 Ų | 111 | 97.4 Ų | 97.4 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.6 | 173 | -60.1 | -86.5 | 0 | 0 | 0 | 110.9 | V844 T908 V909 F911 | V844-F846 HydrophobicContact CB-CE2 3.87Å; V844-F846 HydrophobicContact CB-CZ 4.31Å; V844-F846 HydrophobicContact CG1-CD2 4.25Å; V844-F846 HydrophobicContact CG1-CE1 4.29Å; V844-F846 HydrophobicContact CG1-CE2 3.43Å; V844-F846 VanDerWaalsContact CG1-CE2 3.43Å; V844-F846 HydrophobicContact CG1-CZ 3.46Å; V844-F846 VanDerWaalsContact CG1-CZ 3.46Å; F846-T908 WeakPolarHBondContact O-CA 3.37Å; F846-V909 PolarHBondContact N-O 3.38Å; F846-V909 PolarHBondContact O-N 2.65Å; F846-F911 AromaticContact CD2-CD2 3.78Å; F846-F911 HydrophobicContact CD2-CD2 3.78Å; F846-F911 HydrophobicContact CD2-CE2 4.09Å; F846-F911 AromaticContact CE2-CD2 3.89Å; F846-F911 HydrophobicContact CE2-CD2 3.89Å; F846-F911 HydrophobicContact CE2-CE2 4.41Å |
| 847 | A | 80 | Confident | 73.5 | Confident | 56 Ų | 56 | 93.9 Ų | 93.9 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | P849 E906 | A847-P849 WeakPolarHBondContact O-CD 3.29Å; A847-E906 WeakPolarHBondContact CB-OE1 3.23Å |
| 848 | V | 75.5 | Confident | 73.5 | Confident | 56 Ų | 56 | 92 Ų | 92 | 34% | 0.339 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 93.9 | 174 | -172.5 | 0 | 0 | 0 | 0 | 108 | L851 L907 V909 | V848-L851 HydrophobicContact CB-CD1 4.17Å; V848-L851 HydrophobicContact CG1-CD1 3.77Å; V848-L851 HydrophobicContact CG1-CD2 4.23Å; V848-L851 HydrophobicContact CG1-CG 4.02Å; V848-L907 HydrophobicContact CB-CB 4.37Å; V848-L907 PolarHBondContact N-O 3.33Å; V848-L907 PolarHBondContact O-N 3.21Å; V848-V909 HydrophobicContact CG2-CG2 4.06Å |
| 849 | P | 70.5 | Confident | 73.9 | Confident | 81 Ų | 81 | 89.7 Ų | 89.7 | 53% | 0.526 | 48% | 0.481 | S | S | . | . | trans | -75.1 | 160.9 | -178 | 30 | -35.2 | 0 | 0 | 0 | 112.2 | A847 L851 | A847-P849 WeakPolarHBondContact O-CD 3.29Å; P849-L851 PolarHBondContact O-N 3.01Å | ||
| 850 | N | 63.4 | Low | 74.3 | Confident | 150 Ų | 150 | 87.7 Ų | 87.7 | 80% | 0.802 | 47% | 0.468 | S | S | * | . | trans | 61.9 | 34.8 | 166 | -60.1 | -30.1 | 0 | 0 | 0 | 116.2 | ||||
| 851 | L | 64.3 | Low | 74.9 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | trans | -75.4 | 134.6 | 170.6 | -67.7 | 162.6 | 0 | 0 | 0 | 109.7 | V848 P849 F854 P905 L907 | V848-L851 HydrophobicContact CB-CD1 4.17Å; V848-L851 HydrophobicContact CG1-CD1 3.77Å; V848-L851 HydrophobicContact CG1-CD2 4.23Å; V848-L851 HydrophobicContact CG1-CG 4.02Å; P849-L851 PolarHBondContact O-N 3.01Å; L851-F854 HydrophobicContact CB-CD2 4.33Å; L851-F854 HydrophobicContact CD2-CD2 4.48Å; L851-F854 HydrophobicContact CD2-CE2 4.25Å; L851-P905 PolarHBondContact N-O 2.88Å; L851-P905 WeakPolarHBondContact O-CB 3.35Å; L851-L907 HydrophobicContact CD1-CB 3.85Å; L851-L907 HydrophobicContact CD1-CD1 3.24Å; L851-L907 HydrophobicContact CD1-CG 3.4Å | ||
| 852 | K | 62.2 | Low | 75.3 | Confident | 178 Ų | 178 | 80.6 Ų | 80.6 | 77% | 0.774 | 43% | 0.431 | S | S | * | . | trans | -56.3 | 145.5 | 162.8 | -70.1 | -178.7 | 178.3 | 178.7 | 0 | 107.6 | F854 | K852-F854 HydrophobicContact CB-CE2 4.36Å; K852-F854 WeakPolarHBondContact O-CD2 3.33Å; K852-F854 PolarHBondContact O-N 2.94Å | ||
| 853 | H | 59.1 | Low | 76.1 | Confident | 156 Ų | 156 | 78.2 Ų | 78.2 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | trans | -52.6 | 101.8 | 177.8 | -81.9 | -72.9 | 0 | 0 | 0 | 110.5 | ||||
| 854 | F | 66.9 | Low | 76.7 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | trans | -98.4 | 134.8 | 171.3 | -74.2 | -75.2 | 0 | 0 | 0 | 107.6 | L851 K852 D858 V859 | L851-F854 HydrophobicContact CB-CD2 4.33Å; L851-F854 HydrophobicContact CD2-CD2 4.48Å; L851-F854 HydrophobicContact CD2-CE2 4.25Å; K852-F854 HydrophobicContact CB-CE2 4.36Å; K852-F854 WeakPolarHBondContact O-CD2 3.33Å; K852-F854 PolarHBondContact O-N 2.94Å; F854-D858 HydrophobicContact CB-CB 4.23Å; F854-D858 HydrophobicContact CD1-CB 3.83Å; F854-V859 HydrophobicContact CB-CG2 3.83Å | ||
| 855 | S | 73.9 | Confident | 77 | Confident | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | trans | -66.4 | 152.3 | 165.1 | 70 | 0 | 0 | 0 | 0 | 109.1 | D857 D858 V859 | S855-D857 PolarHBondContact O-N 3.45Å; S855-D857 VanDerWaalsContact O-N 3.11Å; S855-D858 WeakPolarHBondContact CB-OD2 3.33Å; S855-D858 PolarHBondContact N-OD2 3.44Å; S855-D858 WeakPolarHBondContact O-CB 3.21Å; S855-D858 PolarHBondContact O-N 3.49Å; S855-D858 PolarHBondContact OG-N 2.85Å; S855-D858 VanDerWaalsContact OG-N 3.17Å; S855-D858 PolarHBondContact OG-OD2 3.14Å; S855-V859 PolarHBondContact O-N 3.44Å; S855-V859 VanDerWaalsContact O-N 3.11Å | ||
| 856 | P | 74.3 | Confident | 77.3 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -52.2 | -32.8 | 172.8 | -26.8 | 33.6 | 0 | 0 | 0 | 112.8 | V859 C860 E880 L882 | P856-V859 PolarHBondContact O-N 3.11Å; P856-C860 PolarHBondContact O-N 3.38Å; P856-C860 PolarHBondContact O-SG 3.06Å; P856-C860 VanDerWaalsContact O-SG 3.41Å; P856-E880 HydrophobicContact CG-CB 4.17Å; P856-E880 HydrophobicContact CG-CG 3.88Å; P856-L882 HydrophobicContact CB-CD1 4.47Å |
| 857 | D | 80 | Confident | 77.8 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 177.1 | -60.9 | -36.6 | 0 | 0 | 0 | 111.8 | S855 C860 A861 R873 | S855-D857 PolarHBondContact O-N 3.45Å; S855-D857 VanDerWaalsContact O-N 3.11Å; D857-C860 PolarHBondContact O-N 3.02Å; D857-A861 WeakPolarHBondContact O-CB 3.44Å; D857-A861 PolarHBondContact O-N 3.24Å; D857-R873 IonicContact OD1-CZ 2.8Å; D857-R873 IonicContact OD1-NH1 3.32Å; D857-R873 PolarHBondContact OD1-NH1 3.36Å; D857-R873 IonicContact OD2-NH1 2.69Å |
| 858 | D | 82.1 | Confident | 78.4 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 40% | 0.401 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 173.8 | -61.7 | -49.2 | 0 | 0 | 0 | 111.9 | F854 S855 A861 T862 | F854-D858 HydrophobicContact CB-CB 4.23Å; F854-D858 HydrophobicContact CD1-CB 3.83Å; S855-D858 WeakPolarHBondContact CB-OD2 3.33Å; S855-D858 PolarHBondContact N-OD2 3.44Å; S855-D858 WeakPolarHBondContact O-CB 3.21Å; S855-D858 PolarHBondContact O-N 3.49Å; S855-D858 PolarHBondContact OG-N 2.85Å; S855-D858 VanDerWaalsContact OG-N 3.17Å; S855-D858 PolarHBondContact OG-OD2 3.14Å; D858-A861 PolarHBondContact O-N 2.95Å; D858-T862 VanDerWaalsContact O-CB 3.25Å; D858-T862 WeakPolarHBondContact O-CB 3.43Å; D858-T862 PolarHBondContact O-N 3.39Å; D858-T862 PolarHBondContact O-OG1 2.95Å |
| 859 | V | 82.8 | Confident | 79.2 | Confident | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.6 | -52 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | F854 S855 P856 A861 T862 L863 L882 L898 L907 | F854-V859 HydrophobicContact CB-CG2 3.83Å; S855-V859 PolarHBondContact O-N 3.44Å; S855-V859 VanDerWaalsContact O-N 3.11Å; P856-V859 PolarHBondContact O-N 3.11Å; V859-A861 VanDerWaalsContact C-N 3.34Å; V859-A861 PolarHBondContact O-N 3.01Å; V859-T862 PolarHBondContact O-N 3.26Å; V859-L863 HydrophobicContact CG1-CD1 3.88Å; V859-L863 HydrophobicContact CG1-CG 4.38Å; V859-L863 WeakPolarHBondContact O-CB 3.46Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 3.03Å; V859-L882 HydrophobicContact CB-CD1 4.28Å; V859-L882 HydrophobicContact CG1-CD1 4.06Å; V859-L898 HydrophobicContact CG1-CD1 3.83Å; V859-L907 HydrophobicContact CG2-CD1 4.32Å |
| 860 | C | 85.3 | Confident | 80.1 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 176.9 | -74.3 | 0 | 0 | 0 | 0 | 112 | P856 D857 T862 L863 Q864 T870 | P856-C860 PolarHBondContact O-N 3.38Å; P856-C860 PolarHBondContact O-SG 3.06Å; P856-C860 VanDerWaalsContact O-SG 3.41Å; D857-C860 PolarHBondContact O-N 3.02Å; C860-T862 VanDerWaalsContact C-N 3.35Å; C860-T862 PolarHBondContact O-N 3.06Å; C860-L863 PolarHBondContact O-N 3.3Å; C860-Q864 WeakPolarHBondContact O-CB 3.46Å; C860-Q864 PolarHBondContact O-N 2.65Å; C860-T870 PolarHBondContact SG-OG1 3.34Å |
| 861 | A | 85 | Confident | 81.4 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 31% | 0.306 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D857 D858 V859 R865 | D857-A861 WeakPolarHBondContact O-CB 3.44Å; D857-A861 PolarHBondContact O-N 3.24Å; D858-A861 PolarHBondContact O-N 2.95Å; V859-A861 VanDerWaalsContact C-N 3.34Å; V859-A861 PolarHBondContact O-N 3.01Å; A861-R865 WeakPolarHBondContact O-CG 3.3Å; A861-R865 PolarHBondContact O-N 3.39Å; A861-R865 VanDerWaalsContact O-N 3.08Å |
| 862 | T | 85.2 | Confident | 82.4 | Confident | 66 Ų | 66 | 62 Ų | 62 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 179.7 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | D858 V859 C860 R865 N866 | D858-T862 VanDerWaalsContact O-CB 3.25Å; D858-T862 WeakPolarHBondContact O-CB 3.43Å; D858-T862 PolarHBondContact O-N 3.39Å; D858-T862 PolarHBondContact O-OG1 2.95Å; V859-T862 PolarHBondContact O-N 3.26Å; C860-T862 VanDerWaalsContact C-N 3.35Å; C860-T862 PolarHBondContact O-N 3.06Å; T862-R865 PolarHBondContact O-N 3.07Å; T862-N866 PolarHBondContact O-ND2 2.57Å |
| 863 | L | 88.3 | Confident | 83.5 | Confident | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 174.8 | -72.8 | 178.5 | 0 | 0 | 0 | 111.2 | V859 C860 R865 N866 N867 V868 H884 L898 | V859-L863 HydrophobicContact CG1-CD1 3.88Å; V859-L863 HydrophobicContact CG1-CG 4.38Å; V859-L863 WeakPolarHBondContact O-CB 3.46Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 3.03Å; C860-L863 PolarHBondContact O-N 3.3Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.29Å; L863-N866 CarbonylContact O-C 3.51Å; L863-N866 WeakPolarHBondContact O-CA 3.38Å; L863-N866 PolarHBondContact O-N 3.11Å; L863-N867 PolarHBondContact O-N 3.45Å; L863-V868 CarbonylContact C-O 3.58Å; L863-V868 HydrophobicContact CB-CB 3.91Å; L863-V868 HydrophobicContact CB-CG1 4.08Å; L863-V868 HydrophobicContact CD1-CG1 4.4Å; L863-V868 HydrophobicContact CD2-CB 4.28Å; L863-V868 HydrophobicContact CD2-CG1 4.22Å; L863-V868 HydrophobicContact CG-CG1 4.46Å; L863-V868 WeakPolarHBondContact O-CB 3.4Å; L863-V868 PolarHBondContact O-N 3Å; L863-H884 VanDerWaalsContact CD1-CE1 3.44Å; L863-H884 WeakPolarHBondContact CD1-CE1 3.36Å; L863-H884 WeakPolarHBondContact CD1-NE2 3.3Å; L863-L898 HydrophobicContact CD1-CD1 4.31Å |
| 864 | Q | 88 | Confident | 84.7 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 179.4 | -171.5 | 174 | 6.8 | 0 | 0 | 112.7 | C860 N866 N867 V868 | C860-Q864 WeakPolarHBondContact O-CB 3.46Å; C860-Q864 PolarHBondContact O-N 2.65Å; Q864-N866 PolarHBondContact O-N 3.03Å; Q864-N867 PolarHBondContact O-N 2.88Å; Q864-N867 VanDerWaalsContact O-N 3.13Å; Q864-V868 VanDerWaalsContact CA-O 3.23Å; Q864-V868 WeakPolarHBondContact CA-O 3.46Å; Q864-V868 PolarHBondContact N-O 3.06Å; Q864-V868 VanDerWaalsContact N-O 3.15Å |
| 865 | R | 86.9 | Confident | 85.2 | Confident | 171 Ų | 171 | 58.1 Ų | 58.1 | 65% | 0.645 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.1 | 172.6 | -76.5 | 177.3 | -159.5 | 165.8 | 7.7 | 113.6 | G700 A861 T862 L863 | G700-R865 WeakPolarHBondContact CA-O 3.44Å; G700-R865 PolarHBondContact N-O 2.83Å; A861-R865 WeakPolarHBondContact O-CG 3.3Å; A861-R865 PolarHBondContact O-N 3.39Å; A861-R865 VanDerWaalsContact O-N 3.08Å; T862-R865 PolarHBondContact O-N 3.07Å; L863-R865 VanDerWaalsContact C-N 3.31Å; L863-R865 PolarHBondContact O-N 3.29Å |
| 866 | N | 89 | Confident | 85.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 21.4 | 178.3 | -69.4 | -85 | 0 | 0 | 0 | 112 | G700 Y701 F820 T862 L863 Q864 V868 | G700-N866 WeakPolarHBondContact CA-OD1 3.4Å; Y701-N866 PolarHBondContact N-OD1 3.38Å; F820-N866 VanDerWaalsContact CD2-O 3.29Å; F820-N866 WeakPolarHBondContact CD2-O 3.49Å; T862-N866 PolarHBondContact O-ND2 2.57Å; L863-N866 CarbonylContact O-C 3.51Å; L863-N866 WeakPolarHBondContact O-CA 3.38Å; L863-N866 PolarHBondContact O-N 3.11Å; Q864-N866 PolarHBondContact O-N 3.03Å; N866-V868 VanDerWaalsContact C-N 3.29Å; N866-V868 PolarHBondContact O-N 3.4Å |
| 867 | N | 91.7 | Very high | 85.3 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 29.4 | -178.4 | -55.3 | -31.4 | 0 | 0 | 0 | 114.7 | F820 L863 Q864 F869 | F820-N867 HydrophobicContact CB-CB 3.97Å; F820-N867 PolarHBondContact O-ND2 3.34Å; L863-N867 PolarHBondContact O-N 3.45Å; Q864-N867 PolarHBondContact O-N 2.88Å; Q864-N867 VanDerWaalsContact O-N 3.13Å; N867-F869 HydrophobicContact CB-CE2 4.21Å; N867-F869 HydrophobicContact CB-CZ 4.33Å; N867-F869 WeakPolarHBondContact O-CD2 3.25Å; N867-F869 VanDerWaalsContact O-CE2 3.24Å; N867-F869 WeakPolarHBondContact O-CE2 3.34Å |
| 868 | V | 91.8 | Very high | 84.8 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | trans | -107.6 | 114.6 | 169.3 | 180 | 0 | 0 | 0 | 0 | 108.6 | F820 L863 Q864 N866 H884 L886 | F820-V868 HydrophobicContact CD2-CG2 3.63Å; F820-V868 HydrophobicContact CE2-CG2 3.68Å; L863-V868 CarbonylContact C-O 3.58Å; L863-V868 HydrophobicContact CB-CB 3.91Å; L863-V868 HydrophobicContact CB-CG1 4.08Å; L863-V868 HydrophobicContact CD1-CG1 4.4Å; L863-V868 HydrophobicContact CD2-CB 4.28Å; L863-V868 HydrophobicContact CD2-CG1 4.22Å; L863-V868 HydrophobicContact CG-CG1 4.46Å; L863-V868 WeakPolarHBondContact O-CB 3.4Å; L863-V868 PolarHBondContact O-N 3Å; Q864-V868 VanDerWaalsContact CA-O 3.23Å; Q864-V868 WeakPolarHBondContact CA-O 3.46Å; Q864-V868 PolarHBondContact N-O 3.06Å; Q864-V868 VanDerWaalsContact N-O 3.15Å; N866-V868 VanDerWaalsContact C-N 3.29Å; N866-V868 PolarHBondContact O-N 3.4Å; V868-H884 HydrophobicContact CG1-CB 3.81Å; V868-L886 HydrophobicContact CG1-CD2 4.29Å; V868-L886 HydrophobicContact CG2-CB 4.2Å; V868-L886 HydrophobicContact CG2-CD2 3.74Å | ||
| 869 | F | 92.7 | Very high | 84.6 | Confident | 22 Ų | 22 | 66 Ų | 66 | 10% | 0.096 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.5 | -165.9 | -59.1 | -84.7 | 0 | 0 | 0 | 111.4 | E822 Q825 N867 V871 H884 S885 | E822-F869 WeakPolarHBondContact O-CZ 3.25Å; Q825-F869 HydrophobicContact CB-CB 4.08Å; Q825-F869 HydrophobicContact CB-CD1 3.99Å; Q825-F869 HydrophobicContact CB-CD2 4.01Å; Q825-F869 HydrophobicContact CB-CE1 4.44Å; Q825-F869 HydrophobicContact CB-CE2 4.46Å; Q825-F869 HydrophobicContact CB-CG 3.74Å; Q825-F869 HydrophobicContact CG-CB 4.14Å; Q825-F869 HydrophobicContact CG-CD1 4.4Å; Q825-F869 HydrophobicContact CG-CG 4.25Å; Q825-F869 VanDerWaalsContact N-CD2 3.34Å; N867-F869 HydrophobicContact CB-CE2 4.21Å; N867-F869 HydrophobicContact CB-CZ 4.33Å; N867-F869 WeakPolarHBondContact O-CD2 3.25Å; N867-F869 VanDerWaalsContact O-CE2 3.24Å; N867-F869 WeakPolarHBondContact O-CE2 3.34Å; F869-V871 PolarHBondContact O-N 3.35Å; F869-H884 CarbonylContact O-C 3.55Å; F869-H884 WeakPolarHBondContact O-CA 3.22Å; F869-S885 PolarHBondContact N-O 3.47Å; F869-S885 PolarHBondContact O-N 3.34Å |
| 870 | T | 90.2 | Very high | 84.5 | Confident | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 116.1 | 175.5 | -52 | 0 | 0 | 0 | 0 | 109.9 | C860 Y883 H884 | C860-T870 PolarHBondContact SG-OG1 3.34Å; T870-Y883 CarbonylContact C-O 3.5Å; T870-Y883 WeakPolarHBondContact CA-O 3.49Å; T870-H884 PolarHBondContact OG1-CE1 2.97Å; T870-H884 PolarHBondContact OG1-ND1 3.21Å |
| 871 | V | 89.6 | Confident | 84.5 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -43.8 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | K828 F831 F869 Y883 S885 | K828-V871 HydrophobicContact CB-CG1 4.34Å; K828-V871 WeakPolarHBondContact CE-O 3.43Å; K828-V871 HydrophobicContact CG-CG1 3.71Å; F831-V871 HydrophobicContact CB-CG1 3.86Å; F831-V871 HydrophobicContact CD1-CG1 4.37Å; F831-V871 HydrophobicContact CD2-CB 4.25Å; F831-V871 HydrophobicContact CD2-CG1 4.23Å; F831-V871 HydrophobicContact CD2-CG2 3.86Å; F831-V871 HydrophobicContact CE2-CG2 4.34Å; F831-V871 HydrophobicContact CG-CB 4.36Å; F831-V871 HydrophobicContact CG-CG1 3.89Å; F831-V871 HydrophobicContact CG-CG2 4.36Å; F869-V871 PolarHBondContact O-N 3.35Å; V871-Y883 PolarHBondContact N-O 2.86Å; V871-S885 WeakPolarHBondContact CG2-OG 3.26Å |
| 872 | A | 86.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y883 | A872-Y883 HydrophobicContact CB-CD2 3.98Å; A872-Y883 HydrophobicContact CB-CG 4.5Å; A872-Y883 PolarHBondContact N-O 3.04Å; A872-Y883 PolarHBondContact O-N 3.26Å |
| 873 | R | 84.8 | Confident | 84.9 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 43% | 0.434 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.9 | 174.3 | 173.4 | 173.9 | 176.2 | -174.1 | -1.2 | 108.5 | D857 E880 L881 L882 | D857-R873 IonicContact OD1-CZ 2.8Å; D857-R873 IonicContact OD1-NH1 3.32Å; D857-R873 PolarHBondContact OD1-NH1 3.36Å; D857-R873 IonicContact OD2-NH1 2.69Å; R873-E880 VanDerWaalsContact CG-OE2 3.23Å; R873-E880 WeakPolarHBondContact CG-OE2 3.47Å; R873-E880 IonicContact CZ-OE1 3.14Å; R873-E880 IonicContact CZ-OE2 3.49Å; R873-E880 VanDerWaalsContact NE-CD 3.3Å; R873-E880 IonicContact NE-OE1 3.41Å; R873-E880 PolarHBondContact NE-OE1 2.64Å; R873-E880 IonicContact NE-OE2 2.63Å; R873-E880 PolarHBondContact NE-OE2 2.76Å; R873-E880 IonicContact NH2-OE1 2.9Å; R873-E880 PolarHBondContact NH2-OE1 3.38Å; R873-E880 IonicContact NH2-OE2 3.09Å; R873-L881 CarbonylContact C-O 3.39Å; R873-L881 WeakPolarHBondContact CA-O 3.32Å; R873-L882 HydrophobicContact CB-CD2 3.94Å; R873-L882 HydrophobicContact CG-CD2 3.67Å |
| 874 | R | 83.9 | Confident | 85.1 | Confident | 152 Ų | 152 | 60.6 Ų | 60.6 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 119.4 | 179.3 | -170.5 | -173.3 | 176.6 | -174.1 | -3.2 | 110.2 | V876 L881 | R874-V876 HydrophobicContact CG-CG2 3.74Å; R874-L881 HydrophobicContact CB-CB 4.36Å; R874-L881 PolarHBondContact N-O 3.19Å; R874-L881 WeakPolarHBondContact O-CB 3.47Å; R874-L881 PolarHBondContact O-N 3.08Å |
| 875 | S | 78.4 | Confident | 85.3 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122 | 172.5 | -32.7 | 0 | 0 | 0 | 0 | 109.3 | Q879 E880 | S875-Q879 CarbonylContact C-O 3.52Å; S875-Q879 WeakPolarHBondContact CA-O 3.31Å; S875-E880 WeakPolarHBondContact CB-OE1 3.41Å; S875-E880 VanDerWaalsContact OG-CD 3.24Å; S875-E880 PolarHBondContact OG-OE1 2.98Å |
| 876 | V | 77.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124.5 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | R874 N878 Q879 L881 | R874-V876 HydrophobicContact CG-CG2 3.74Å; V876-N878 PolarHBondContact O-N 3.45Å; V876-N878 VanDerWaalsContact O-N 3.14Å; V876-Q879 PolarHBondContact N-O 2.91Å; V876-Q879 WeakPolarHBondContact O-CA 3.26Å; V876-Q879 WeakPolarHBondContact O-CB 3.42Å; V876-Q879 PolarHBondContact O-N 2.76Å; V876-Q879 VanDerWaalsContact O-O 3.11Å; V876-L881 HydrophobicContact CG2-CD1 4.19Å |
| 877 | E | 71.5 | Confident | 85.8 | Confident | 185 Ų | 185 | 48.6 Ų | 48.6 | 86% | 0.864 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.1 | 55.7 | 165.6 | -62.1 | -177.2 | 175.3 | 0 | 0 | 115.5 | Q879 | E877-Q879 VanDerWaalsContact C-N 3.29Å; E877-Q879 PolarHBondContact O-N 3.36Å |
| 878 | N | 70.2 | Confident | 85.9 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 59% | 0.594 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 15.2 | -178.4 | -111.9 | 21 | 0 | 0 | 0 | 116 | V876 L902 | V876-N878 PolarHBondContact O-N 3.45Å; V876-N878 VanDerWaalsContact O-N 3.14Å; N878-L902 WeakPolarHBondContact O-CD1 3.25Å; N878-L902 PolarHBondContact O-N 3.11Å; N878-L902 VanDerWaalsContact O-N 3.11Å |
| 879 | Q | 77.4 | Confident | 85.8 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.7 | 174.2 | -51.1 | -172.6 | -10.1 | 0 | 0 | 111 | S875 V876 E877 S900 Q901 | S875-Q879 CarbonylContact C-O 3.52Å; S875-Q879 WeakPolarHBondContact CA-O 3.31Å; V876-Q879 PolarHBondContact N-O 2.91Å; V876-Q879 WeakPolarHBondContact O-CA 3.26Å; V876-Q879 WeakPolarHBondContact O-CB 3.42Å; V876-Q879 PolarHBondContact O-N 2.76Å; V876-Q879 VanDerWaalsContact O-O 3.11Å; E877-Q879 VanDerWaalsContact C-N 3.29Å; E877-Q879 PolarHBondContact O-N 3.36Å; Q879-S900 CarbonylContact C-O 3.59Å; Q879-S900 WeakPolarHBondContact CA-O 3.28Å; Q879-Q901 HydrophobicContact CG-CG 4.16Å |
| 880 | E | 80.7 | Confident | 85.5 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.3 | 171.4 | -84.5 | -82.1 | 179.3 | 0 | 0 | 108.9 | P856 R873 S875 S900 | P856-E880 HydrophobicContact CG-CB 4.17Å; P856-E880 HydrophobicContact CG-CG 3.88Å; R873-E880 VanDerWaalsContact CG-OE2 3.23Å; R873-E880 WeakPolarHBondContact CG-OE2 3.47Å; R873-E880 IonicContact CZ-OE1 3.14Å; R873-E880 IonicContact CZ-OE2 3.49Å; R873-E880 VanDerWaalsContact NE-CD 3.3Å; R873-E880 IonicContact NE-OE1 3.41Å; R873-E880 PolarHBondContact NE-OE1 2.64Å; R873-E880 IonicContact NE-OE2 2.63Å; R873-E880 PolarHBondContact NE-OE2 2.76Å; R873-E880 IonicContact NH2-OE1 2.9Å; R873-E880 PolarHBondContact NH2-OE1 3.38Å; R873-E880 IonicContact NH2-OE2 3.09Å; S875-E880 WeakPolarHBondContact CB-OE1 3.41Å; S875-E880 VanDerWaalsContact OG-CD 3.24Å; S875-E880 PolarHBondContact OG-OE1 2.98Å; E880-S900 PolarHBondContact N-O 3.25Å; E880-S900 PolarHBondContact O-N 3.01Å |
| 881 | L | 85.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.1 | 176.3 | -57.2 | 173.5 | 0 | 0 | 0 | 108.6 | R873 R874 V876 Y883 L898 K899 | R873-L881 CarbonylContact C-O 3.39Å; R873-L881 WeakPolarHBondContact CA-O 3.32Å; R874-L881 HydrophobicContact CB-CB 4.36Å; R874-L881 PolarHBondContact N-O 3.19Å; R874-L881 WeakPolarHBondContact O-CB 3.47Å; R874-L881 PolarHBondContact O-N 3.08Å; V876-L881 HydrophobicContact CG2-CD1 4.19Å; L881-Y883 HydrophobicContact CB-CE2 4.14Å; L881-L898 WeakPolarHBondContact CA-O 3.31Å; L881-K899 HydrophobicContact CD2-CB 4.06Å; L881-K899 HydrophobicContact CD2-CD 3.74Å; L881-K899 HydrophobicContact CD2-CG 3.47Å; L881-K899 VanDerWaalsContact CD2-CG 3.47Å |
| 882 | L | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 177.8 | -56.2 | 177.5 | 0 | 0 | 0 | 109.1 | P856 V859 R873 H884 E897 L898 | P856-L882 HydrophobicContact CB-CD1 4.47Å; V859-L882 HydrophobicContact CB-CD1 4.28Å; V859-L882 HydrophobicContact CG1-CD1 4.06Å; R873-L882 HydrophobicContact CB-CD2 3.94Å; R873-L882 HydrophobicContact CG-CD2 3.67Å; L882-H884 VanDerWaalsContact CB-NE2 3.32Å; L882-H884 WeakPolarHBondContact CB-NE2 3.46Å; L882-E897 CarbonylContact O-C 3.54Å; L882-E897 WeakPolarHBondContact O-CA 3.47Å; L882-L898 HydrophobicContact CB-CB 4.32Å; L882-L898 HydrophobicContact CD1-CD2 4.14Å; L882-L898 PolarHBondContact N-O 3.37Å; L882-L898 PolarHBondContact O-N 3.41Å |
| 883 | Y | 90.4 | Very high | 85.3 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 15% | 0.153 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.2 | 177.4 | -63.5 | -85.4 | 0 | 0 | 0 | 109.2 | F831 T870 V871 A872 L881 S896 E897 | F831-Y883 AromaticContact CE1-CD1 3.89Å; F831-Y883 HydrophobicContact CE1-CD1 3.89Å; F831-Y883 HydrophobicContact CE1-CG 4.23Å; F831-Y883 HydrophobicContact CZ-CD1 4.1Å; F831-Y883 HydrophobicContact CZ-CG 4.44Å; T870-Y883 CarbonylContact C-O 3.5Å; T870-Y883 WeakPolarHBondContact CA-O 3.49Å; V871-Y883 PolarHBondContact N-O 2.86Å; A872-Y883 HydrophobicContact CB-CD2 3.98Å; A872-Y883 HydrophobicContact CB-CG 4.5Å; A872-Y883 PolarHBondContact N-O 3.04Å; A872-Y883 PolarHBondContact O-N 3.26Å; L881-Y883 HydrophobicContact CB-CE2 4.14Å; Y883-S896 CarbonylContact C-O 3.39Å; Y883-S896 WeakPolarHBondContact CA-O 3.42Å; Y883-E897 HydrophobicContact CD1-CB 4.04Å; Y883-E897 HydrophobicContact CD1-CG 4.13Å; Y883-E897 HydrophobicContact CE1-CB 3.95Å; Y883-E897 HydrophobicContact CE1-CG 3.67Å; Y883-E897 WeakPolarHBondContact CE1-OE2 3.3Å; Y883-E897 PolarHBondContact OH-OE2 3.02Å |
| 884 | H | 92.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.7 | -176.2 | -55.5 | -71.3 | 0 | 0 | 0 | 112.4 | F831 L863 V868 F869 T870 L882 L895 S896 | F831-H884 WeakPolarHBondContact CE2-O 3.43Å; L863-H884 VanDerWaalsContact CD1-CE1 3.44Å; L863-H884 WeakPolarHBondContact CD1-CE1 3.36Å; L863-H884 WeakPolarHBondContact CD1-NE2 3.3Å; V868-H884 HydrophobicContact CG1-CB 3.81Å; F869-H884 CarbonylContact O-C 3.55Å; F869-H884 WeakPolarHBondContact O-CA 3.22Å; T870-H884 PolarHBondContact OG1-CE1 2.97Å; T870-H884 PolarHBondContact OG1-ND1 3.21Å; L882-H884 VanDerWaalsContact CB-NE2 3.32Å; L882-H884 WeakPolarHBondContact CB-NE2 3.46Å; H884-L895 WeakPolarHBondContact O-CA 3.43Å; H884-S896 PolarHBondContact N-O 3.46Å; H884-S896 PolarHBondContact O-N 3.28Å |
| 885 | S | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 142 | 168.1 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | G824 M826 F869 V871 | G824-S885 CarbonylContact O-C 3.6Å; G824-S885 WeakPolarHBondContact O-CB 3.34Å; G824-S885 PolarHBondContact O-OG 3.48Å; M826-S885 PolarHBondContact N-OG 2.9Å; M826-S885 VanDerWaalsContact N-OG 3.11Å; F869-S885 PolarHBondContact N-O 3.47Å; F869-S885 PolarHBondContact O-N 3.34Å; V871-S885 WeakPolarHBondContact CG2-OG 3.26Å |
| 886 | L | 93.4 | Very high | 86.3 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 166.1 | 168.7 | 68.3 | 85.3 | 0 | 0 | 0 | 109.7 | F820 V868 L888 V894 | F820-L886 HydrophobicContact CD1-CD1 3.95Å; F820-L886 HydrophobicContact CD1-CD2 4.49Å; F820-L886 HydrophobicContact CE1-CD1 3.93Å; F820-L886 HydrophobicContact CE1-CD2 4.09Å; F820-L886 HydrophobicContact CE2-CD2 4.2Å; F820-L886 HydrophobicContact CZ-CD2 3.94Å; V868-L886 HydrophobicContact CG1-CD2 4.29Å; V868-L886 HydrophobicContact CG2-CB 4.2Å; V868-L886 HydrophobicContact CG2-CD2 3.74Å; L886-L888 HydrophobicContact CD1-CD2 3.85Å; L886-L888 HydrophobicContact CD1-CG 4.31Å; L886-V894 HydrophobicContact CD1-CB 3.62Å; L886-V894 HydrophobicContact CD1-CG1 4.47Å; L886-V894 HydrophobicContact CD1-CG2 3.88Å; L886-V894 HydrophobicContact CG-CB 3.88Å; L886-V894 HydrophobicContact CG-CG1 4.49Å; L886-V894 PolarHBondContact N-O 2.98Å; L886-V894 PolarHBondContact O-N 3.24Å |
| 887 | K | 92.9 | Very high | 86.7 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.9 | 177.7 | -176.8 | 176.9 | 177.3 | -174 | 0 | 109.8 | F820 T821 D823 I892 E893 | F820-K887 WeakPolarHBondContact CA-O 3.22Å; T821-K887 PolarHBondContact N-O 3.35Å; T821-K887 WeakPolarHBondContact OG1-CB 3.34Å; T821-K887 PolarHBondContact OG1-O 3.3Å; D823-K887 IonicContact OD2-NZ 3.08Å; D823-K887 PolarHBondContact OD2-NZ 3.44Å; K887-I892 WeakPolarHBondContact CA-O 3.39Å; K887-E893 HydrophobicContact CD-CG 4.45Å; K887-E893 HydrophobicContact CG-CG 4.31Å |
| 888 | L | 92.9 | Very high | 87.4 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 160.4 | 178.8 | -58.4 | -178.1 | 0 | 0 | 0 | 110.7 | F756 L819 F820 L886 N890 G891 I892 V894 | F756-L888 HydrophobicContact CE1-CB 4.5Å; F756-L888 HydrophobicContact CE1-CD1 3.98Å; F756-L888 HydrophobicContact CZ-CD1 4.36Å; L819-L888 CarbonylContact O-C 3.58Å; L819-L888 WeakPolarHBondContact O-CA 3.39Å; F820-L888 HydrophobicContact CD1-CD2 3.55Å; F820-L888 HydrophobicContact CE1-CD2 3.65Å; L886-L888 HydrophobicContact CD1-CD2 3.85Å; L886-L888 HydrophobicContact CD1-CG 4.31Å; L888-N890 WeakPolarHBondContact CB-OD1 3.13Å; L888-N890 PolarHBondContact O-N 3.19Å; L888-N890 VanDerWaalsContact O-N 3.14Å; L888-G891 WeakPolarHBondContact O-CA 3.41Å; L888-G891 PolarHBondContact O-N 3.11Å; L888-I892 HydrophobicContact CD1-CB 4.36Å; L888-I892 PolarHBondContact N-O 2.88Å; L888-V894 HydrophobicContact CD1-CG2 4.3Å; L888-V894 HydrophobicContact CG-CG2 4.36Å |
| 889 | T | 89.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 33.3 Ų | 33.3 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.8 | 179.2 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | T784 L819 T821 G891 | T784-T889 HydrophobicContact CG2-CG2 3.99Å; L819-T889 HydrophobicContact CD2-CG2 4.49Å; L819-T889 PolarHBondContact O-N 2.65Å; T821-T889 HydrophobicContact CG2-CG2 3.96Å; T889-G891 PolarHBondContact O-N 3.08Å |
| 890 | N | 87.1 | Confident | 88.1 | Confident | 76 Ų | 76 | 30.9 Ų | 30.9 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1 | 173.8 | 64.5 | 3.9 | 0 | 0 | 0 | 113.5 | L888 I892 | L888-N890 WeakPolarHBondContact CB-OD1 3.13Å; L888-N890 PolarHBondContact O-N 3.19Å; L888-N890 VanDerWaalsContact O-N 3.14Å; N890-I892 VanDerWaalsContact ND2-CD1 3.33Å; N890-I892 WeakPolarHBondContact ND2-CD1 3.46Å; N890-I892 WeakPolarHBondContact OD1-CB 3.32Å; N890-I892 VanDerWaalsContact OD1-CG1 3.3Å; N890-I892 WeakPolarHBondContact OD1-CG1 3.47Å; N890-I892 PolarHBondContact OD1-N 3.15Å; N890-I892 VanDerWaalsContact OD1-N 3.13Å |
| 891 | G | 86.1 | Confident | 87.7 | Confident | 40 Ų | 40 | 35 Ų | 35 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 86 | 4.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L888 T889 E893 | L888-G891 WeakPolarHBondContact O-CA 3.41Å; L888-G891 PolarHBondContact O-N 3.11Å; T889-G891 PolarHBondContact O-N 3.08Å; G891-E893 PolarHBondContact O-N 3.4Å |
| 892 | I | 88.2 | Confident | 86.7 | Confident | 93 Ų | 93 | 39.2 Ų | 39.2 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | trans | -70.7 | 126.9 | 173.2 | -63.1 | 176.6 | 0 | 0 | 0 | 109 | K887 L888 N890 V894 | K887-I892 WeakPolarHBondContact CA-O 3.39Å; L888-I892 HydrophobicContact CD1-CB 4.36Å; L888-I892 PolarHBondContact N-O 2.88Å; N890-I892 VanDerWaalsContact ND2-CD1 3.33Å; N890-I892 WeakPolarHBondContact ND2-CD1 3.46Å; N890-I892 WeakPolarHBondContact OD1-CB 3.32Å; N890-I892 VanDerWaalsContact OD1-CG1 3.3Å; N890-I892 WeakPolarHBondContact OD1-CG1 3.47Å; N890-I892 PolarHBondContact OD1-N 3.15Å; N890-I892 VanDerWaalsContact OD1-N 3.13Å; I892-V894 HydrophobicContact CG2-CG2 4.28Å | ||
| 893 | E | 87.1 | Confident | 85.6 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.7 | 173.3 | -64.5 | 175.2 | 170.5 | 0 | 0 | 108.9 | M826 K887 G891 | M826-E893 HydrophobicContact CE-CB 4.14Å; M826-E893 HydrophobicContact CE-CG 4.31Å; M826-E893 WeakPolarHBondContact CE-OE2 3.34Å; K887-E893 HydrophobicContact CD-CG 4.45Å; K887-E893 HydrophobicContact CG-CG 4.31Å; G891-E893 PolarHBondContact O-N 3.4Å |
| 894 | V | 88.6 | Confident | 84.4 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130 | 178.9 | -179 | 0 | 0 | 0 | 0 | 107.8 | L886 L888 I892 F911 | L886-V894 HydrophobicContact CD1-CB 3.62Å; L886-V894 HydrophobicContact CD1-CG1 4.47Å; L886-V894 HydrophobicContact CD1-CG2 3.88Å; L886-V894 HydrophobicContact CG-CB 3.88Å; L886-V894 HydrophobicContact CG-CG1 4.49Å; L886-V894 PolarHBondContact N-O 2.98Å; L886-V894 PolarHBondContact O-N 3.24Å; L888-V894 HydrophobicContact CD1-CG2 4.3Å; L888-V894 HydrophobicContact CG-CG2 4.36Å; I892-V894 HydrophobicContact CG2-CG2 4.28Å; V894-F911 HydrophobicContact CG1-CD1 3.59Å; V894-F911 HydrophobicContact CG1-CE1 4Å |
| 895 | L | 89.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 148.6 | 176.8 | -47.7 | -175 | 0 | 0 | 0 | 108 | M826 F831 A834 W835 I838 H884 F911 | M826-L895 HydrophobicContact CE-CD2 3.64Å; M826-L895 HydrophobicContact SD-CD2 4.04Å; F831-L895 HydrophobicContact CD2-CD1 4.36Å; F831-L895 HydrophobicContact CD2-CD2 3.76Å; F831-L895 HydrophobicContact CD2-CG 4.47Å; F831-L895 HydrophobicContact CE2-CB 3.82Å; F831-L895 HydrophobicContact CE2-CD1 4.22Å; F831-L895 HydrophobicContact CE2-CD2 3.74Å; F831-L895 HydrophobicContact CE2-CG 4.13Å; F831-L895 HydrophobicContact CZ-CB 4.21Å; A834-L895 HydrophobicContact CB-CD1 3.82Å; W835-L895 HydrophobicContact CB-CD1 4.22Å; W835-L895 HydrophobicContact CE3-CB 3.6Å; W835-L895 HydrophobicContact CE3-CD1 3.94Å; W835-L895 HydrophobicContact CE3-CG 4.43Å; W835-L895 HydrophobicContact CZ3-CB 3.62Å; I838-L895 HydrophobicContact CD1-CD1 3.85Å; I838-L895 HydrophobicContact CD1-CG 4.35Å; H884-L895 WeakPolarHBondContact O-CA 3.43Å; L895-F911 VanDerWaalsContact O-OXT 3.14Å |
| 896 | S | 89.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.7 | 170.6 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | Y883 H884 F910 | Y883-S896 CarbonylContact C-O 3.39Å; Y883-S896 WeakPolarHBondContact CA-O 3.42Å; H884-S896 PolarHBondContact N-O 3.46Å; H884-S896 PolarHBondContact O-N 3.28Å; S896-F910 CarbonylContact C-O 3.55Å; S896-F910 WeakPolarHBondContact CA-O 3.4Å; S896-F910 WeakPolarHBondContact CB-O 3.46Å |
| 897 | E | 87.8 | Confident | 80.7 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.8 | 170.9 | 176.6 | -174.8 | 84.2 | 0 | 0 | 108.4 | W835 L882 Y883 K899 V909 F910 | W835-E897 HydrophobicContact CH2-CB 3.78Å; W835-E897 HydrophobicContact CZ2-CB 4.12Å; L882-E897 CarbonylContact O-C 3.54Å; L882-E897 WeakPolarHBondContact O-CA 3.47Å; Y883-E897 HydrophobicContact CD1-CB 4.04Å; Y883-E897 HydrophobicContact CD1-CG 4.13Å; Y883-E897 HydrophobicContact CE1-CB 3.95Å; Y883-E897 HydrophobicContact CE1-CG 3.67Å; Y883-E897 WeakPolarHBondContact CE1-OE2 3.3Å; Y883-E897 PolarHBondContact OH-OE2 3.02Å; E897-K899 WeakPolarHBondContact OE1-CE 3.23Å; E897-K899 IonicContact OE1-NZ 3.19Å; E897-K899 PolarHBondContact OE1-NZ 3.42Å; E897-V909 CarbonylContact O-C 3.56Å; E897-V909 WeakPolarHBondContact O-CA 3.35Å; E897-F910 HydrophobicContact CB-CB 4.21Å; E897-F910 PolarHBondContact N-O 3.09Å; E897-F910 WeakPolarHBondContact O-CD2 3.4Å; E897-F910 PolarHBondContact O-N 3.06Å |
| 898 | L | 86 | Confident | 80 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.4 | 178 | -178.1 | 162.7 | 0 | 0 | 0 | 109.3 | V859 L863 L881 L882 L907 T908 V909 | V859-L898 HydrophobicContact CG1-CD1 3.83Å; L863-L898 HydrophobicContact CD1-CD1 4.31Å; L881-L898 WeakPolarHBondContact CA-O 3.31Å; L882-L898 HydrophobicContact CB-CB 4.32Å; L882-L898 HydrophobicContact CD1-CD2 4.14Å; L882-L898 PolarHBondContact N-O 3.37Å; L882-L898 PolarHBondContact O-N 3.41Å; L898-L907 HydrophobicContact CD1-CD1 4.13Å; L898-L907 HydrophobicContact CD2-CB 4.49Å; L898-L907 HydrophobicContact CD2-CD1 4.08Å; L898-L907 HydrophobicContact CD2-CD2 3.8Å; L898-L907 HydrophobicContact CD2-CG 4.36Å; L898-L907 HydrophobicContact CG-CD1 4.41Å; L898-T908 CarbonylContact C-O 3.48Å; L898-T908 WeakPolarHBondContact CA-O 3.39Å; L898-V909 HydrophobicContact CB-CG2 4.47Å; L898-V909 HydrophobicContact CD1-CG2 4.18Å; L898-V909 HydrophobicContact CG-CG2 4.13Å |
| 899 | K | 84.3 | Confident | 79.4 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.7 | 177.1 | -50.6 | -162.6 | 167.3 | 124.7 | 0 | 109.9 | L881 E897 L907 T908 F910 | L881-K899 HydrophobicContact CD2-CB 4.06Å; L881-K899 HydrophobicContact CD2-CD 3.74Å; L881-K899 HydrophobicContact CD2-CG 3.47Å; L881-K899 VanDerWaalsContact CD2-CG 3.47Å; E897-K899 WeakPolarHBondContact OE1-CE 3.23Å; E897-K899 IonicContact OE1-NZ 3.19Å; E897-K899 PolarHBondContact OE1-NZ 3.42Å; K899-L907 WeakPolarHBondContact O-CA 3.36Å; K899-T908 PolarHBondContact N-O 3.49Å; K899-T908 PolarHBondContact O-N 3.3Å; K899-F910 HydrophobicContact CD-CD2 4.23Å; K899-F910 HydrophobicContact CD-CE2 3.45Å; K899-F910 VanDerWaalsContact CD-CE2 3.45Å; K899-F910 HydrophobicContact CD-CZ 4.1Å; K899-F910 HydrophobicContact CG-CD2 4.07Å; K899-F910 HydrophobicContact CG-CE2 3.63Å |
| 900 | S | 76.9 | Confident | 78.9 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | Q879 E880 L907 | Q879-S900 CarbonylContact C-O 3.59Å; Q879-S900 WeakPolarHBondContact CA-O 3.28Å; E880-S900 PolarHBondContact N-O 3.25Å; E880-S900 PolarHBondContact O-N 3.01Å; S900-L907 WeakPolarHBondContact OG-CD2 3.48Å |
| 901 | Q | 73.2 | Confident | 78.3 | Confident | 100 Ų | 100 | 52.4 Ų | 52.4 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.6 | 170.9 | -62.9 | -172.3 | -12.3 | 0 | 0 | 109.4 | Q879 N903 S904 | Q879-Q901 HydrophobicContact CG-CG 4.16Å; Q901-N903 PolarHBondContact O-N 3.36Å; Q901-S904 PolarHBondContact O-N 3.07Å; Q901-S904 VanDerWaalsContact O-N 3.07Å |
| 902 | L | 64.4 | Low | 77.9 | Confident | 106 Ų | 106 | 53 Ų | 53 | 56% | 0.555 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.3 | -173.4 | -94.5 | 125.6 | 0 | 0 | 0 | 115.3 | N878 | N878-L902 WeakPolarHBondContact O-CD1 3.25Å; N878-L902 PolarHBondContact O-N 3.11Å; N878-L902 VanDerWaalsContact O-N 3.11Å |
| 903 | N | 63.5 | Low | 77.3 | Confident | 138 Ų | 138 | 50.9 Ų | 50.9 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 7.4 | 179.9 | -64.9 | -31.2 | 0 | 0 | 0 | 114.3 | Q901 | Q901-N903 PolarHBondContact O-N 3.36Š|
| 904 | S | 65.2 | Low | 76.8 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | trans | -109.5 | 135.7 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | Q901 E906 | Q901-S904 PolarHBondContact O-N 3.07Å; Q901-S904 VanDerWaalsContact O-N 3.07Å; S904-E906 PolarHBondContact O-N 3.31Å; S904-E906 WeakPolarHBondContact OG-CB 3.17Å; S904-E906 PolarHBondContact OG-N 3.43Å | ||
| 905 | P | 62.6 | Low | 76.1 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -74.2 | 0.7 | 169.2 | 32.2 | -34.8 | 0 | 0 | 0 | 113 | L851 | L851-P905 PolarHBondContact N-O 2.88Å; L851-P905 WeakPolarHBondContact O-CB 3.35Å |
| 906 | E | 66.4 | Low | 75.3 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | trans | -95.8 | 127.9 | -178.8 | -164.5 | 174.4 | -167.8 | 0 | 0 | 110.8 | A847 S904 | A847-E906 WeakPolarHBondContact CB-OE1 3.23Å; S904-E906 PolarHBondContact O-N 3.31Å; S904-E906 WeakPolarHBondContact OG-CB 3.17Å; S904-E906 PolarHBondContact OG-N 3.43Å | ||
| 907 | L | 72.3 | Confident | 74.3 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.7 | 168.3 | -65.5 | -179.1 | 0 | 0 | 0 | 109 | V848 L851 V859 L898 K899 S900 | V848-L907 HydrophobicContact CB-CB 4.37Å; V848-L907 PolarHBondContact N-O 3.33Å; V848-L907 PolarHBondContact O-N 3.21Å; L851-L907 HydrophobicContact CD1-CB 3.85Å; L851-L907 HydrophobicContact CD1-CD1 3.24Å; L851-L907 HydrophobicContact CD1-CG 3.4Å; V859-L907 HydrophobicContact CG2-CD1 4.32Å; L898-L907 HydrophobicContact CD1-CD1 4.13Å; L898-L907 HydrophobicContact CD2-CB 4.49Å; L898-L907 HydrophobicContact CD2-CD1 4.08Å; L898-L907 HydrophobicContact CD2-CD2 3.8Å; L898-L907 HydrophobicContact CD2-CG 4.36Å; L898-L907 HydrophobicContact CG-CD1 4.41Å; K899-L907 WeakPolarHBondContact O-CA 3.36Å; S900-L907 WeakPolarHBondContact OG-CD2 3.48Å |
| 908 | T | 78.4 | Confident | 73.4 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 18% | 0.184 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.5 | 171.5 | -48.1 | 0 | 0 | 0 | 0 | 108.9 | Q845 F846 L898 K899 F910 | Q845-T908 HydrophobicContact CG-CG2 3.52Å; F846-T908 WeakPolarHBondContact O-CA 3.37Å; L898-T908 CarbonylContact C-O 3.48Å; L898-T908 WeakPolarHBondContact CA-O 3.39Å; K899-T908 PolarHBondContact N-O 3.49Å; K899-T908 PolarHBondContact O-N 3.3Å; T908-F910 HydrophobicContact CG2-CD2 4.22Å; T908-F910 HydrophobicContact CG2-CE2 3.37Å; T908-F910 HydrophobicContact CG2-CZ 3.61Å |
| 909 | V | 81.6 | Confident | 72.4 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.109 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.6 | 178.3 | -174 | 0 | 0 | 0 | 0 | 108.8 | Q845 F846 V848 E897 L898 F911 | Q845-V909 CarbonylContact C-O 3.47Å; Q845-V909 WeakPolarHBondContact CA-O 3.43Å; F846-V909 PolarHBondContact N-O 3.38Å; F846-V909 PolarHBondContact O-N 2.65Å; V848-V909 HydrophobicContact CG2-CG2 4.06Å; E897-V909 CarbonylContact O-C 3.56Å; E897-V909 WeakPolarHBondContact O-CA 3.35Å; L898-V909 HydrophobicContact CB-CG2 4.47Å; L898-V909 HydrophobicContact CD1-CG2 4.18Å; L898-V909 HydrophobicContact CG-CG2 4.13Å; V909-F911 HydrophobicContact CB-CE2 4.45Å; V909-F911 HydrophobicContact CG1-CD2 4.06Å; V909-F911 HydrophobicContact CG1-CE2 3.6Å; V909-F911 HydrophobicContact CG1-CZ 3.9Å |
| 910 | F | 78.7 | Confident | 71.4 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.4 | 173.2 | -60.1 | -99.5 | 0 | 0 | 0 | 107 | E843 V844 Q845 S896 E897 K899 T908 | E843-F910 VanDerWaalsContact OE1-CD1 3.24Å; E843-F910 WeakPolarHBondContact OE1-CD1 3.38Å; V844-F910 WeakPolarHBondContact O-CA 3.4Å; Q845-F910 HydrophobicContact CB-CD1 3.97Å; Q845-F910 HydrophobicContact CB-CE1 3.9Å; Q845-F910 VanDerWaalsContact CD-CE1 3.49Å; Q845-F910 HydrophobicContact CG-CD1 4.02Å; Q845-F910 HydrophobicContact CG-CE1 3.6Å; Q845-F910 HydrophobicContact CG-CE2 4.4Å; Q845-F910 HydrophobicContact CG-CZ 3.8Å; Q845-F910 VanDerWaalsContact OE1-CE1 3.31Å; S896-F910 CarbonylContact C-O 3.55Å; S896-F910 WeakPolarHBondContact CA-O 3.4Å; S896-F910 WeakPolarHBondContact CB-O 3.46Å; E897-F910 HydrophobicContact CB-CB 4.21Å; E897-F910 PolarHBondContact N-O 3.09Å; E897-F910 WeakPolarHBondContact O-CD2 3.4Å; E897-F910 PolarHBondContact O-N 3.06Å; K899-F910 HydrophobicContact CD-CD2 4.23Å; K899-F910 HydrophobicContact CD-CE2 3.45Å; K899-F910 VanDerWaalsContact CD-CE2 3.45Å; K899-F910 HydrophobicContact CD-CZ 4.1Å; K899-F910 HydrophobicContact CG-CD2 4.07Å; K899-F910 HydrophobicContact CG-CE2 3.63Å; T908-F910 HydrophobicContact CG2-CD2 4.22Å; T908-F910 HydrophobicContact CG2-CE2 3.37Å; T908-F910 HydrophobicContact CG2-CZ 3.61Å |
| 911 | F | 73.6 | Confident | 70.9 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | trans | -107.9 | 0 | 172.9 | -74.8 | -79.7 | 0 | 0 | 0 | 110.6 | E843 V844 F846 V894 L895 V909 | E843-F911 VanDerWaalsContact CA-O 3.3Å; E843-F911 WeakPolarHBondContact CA-O 3.29Å; V844-F911 PolarHBondContact N-O 3.13Å; V844-F911 PolarHBondContact O-N 2.68Å; F846-F911 AromaticContact CD2-CD2 3.78Å; F846-F911 HydrophobicContact CD2-CD2 3.78Å; F846-F911 HydrophobicContact CD2-CE2 4.09Å; F846-F911 AromaticContact CE2-CD2 3.89Å; F846-F911 HydrophobicContact CE2-CD2 3.89Å; F846-F911 HydrophobicContact CE2-CE2 4.41Å; V894-F911 HydrophobicContact CG1-CD1 3.59Å; V894-F911 HydrophobicContact CG1-CE1 4Å; L895-F911 VanDerWaalsContact O-OXT 3.14Å; V909-F911 HydrophobicContact CB-CE2 4.45Å; V909-F911 HydrophobicContact CG1-CD2 4.06Å; V909-F911 HydrophobicContact CG1-CE2 3.6Å; V909-F911 HydrophobicContact CG1-CZ 3.9Å |
Retrieved 911 of 911 residues in 5034.8 ms
(Link to these results)