| 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 | K | 39.6 | Very low | 58.9 | Low | 269 Ų | 269 | 105.8 Ų | 105.8 | 100% | 1.17 | 55% | 0.552 | S | S | * | * | 0 | 84.5 | 0 | -157 | 178.5 | -171.4 | -178.6 | 0 | 107 | |||||
| 2 | M | 42.8 | Very low | 59.6 | Low | 157 Ų | 157 | 110.7 Ų | 110.7 | 77% | 0.773 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.9 | 172.1 | -82.9 | 170.3 | 71.1 | 0 | 0 | 108 | ||
| 3 | A | 50.3 | Low | 60.8 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 77% | 0.769 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 135.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 4 | E | 53.7 | Low | 61.7 | Low | 105 Ų | 105 | 102.4 Ų | 102.4 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 122 | 166.3 | -128 | 165.5 | 105.4 | 0 | 0 | 108.1 | K69 F71 | E4-K69 WeakPolarHBondContact OE1-CE 3.31Å; E4-K69 IonicContact OE1-NZ 3.64Å; E4-K69 PolarHBondContact OE1-NZ 3.28Å; E4-K69 WeakPolarHBondContact OE2-CD 3.24Å; E4-K69 WeakPolarHBondContact OE2-CE 3.11Å; E4-K69 IonicContact OE2-NZ 2.72Å; E4-K69 PolarHBondContact OE2-NZ 2.9Å; E4-F71 HydrophobicContact CB-CE2 4.45Å; E4-F71 HydrophobicContact CG-CD2 3.86Å; E4-F71 HydrophobicContact CG-CE2 3.28Å; E4-F71 HydrophobicContact CG-CZ 4.05Å |
| 5 | P | 61.3 | Low | 62.3 | Low | 29 Ų | 29 | 104.1 Ų | 104.1 | 19% | 0.188 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 148 | 175.1 | 26.6 | -32.6 | 0 | 0 | 0 | 108.5 | F27 N31 F66 F71 | P5-F27 HydrophobicContact CB-CZ 4.35Å; P5-N31 WeakPolarHBondContact CB-OD1 3.42Å; P5-N31 HydrophobicContact CG-CB 4.17Å; P5-F66 HydrophobicContact CG-CE1 4.32Å; P5-F66 WeakPolarHBondContact O-CE1 3.01Å; P5-F71 HydrophobicContact CG-CD1 3.24Å; P5-F71 HydrophobicContact CG-CE1 3.2Å; P5-F71 HydrophobicContact CG-CG 3.94Å; P5-F71 HydrophobicContact CG-CZ 3.88Å |
| 6 | A | 57.3 | Low | 63.1 | Low | 83 Ų | 83 | 100.3 Ų | 100.3 | 69% | 0.686 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -78 | 149.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | E8 | A6-E8 PolarHBondContact O-N 3.31Å; A6-E8 VanDerWaalsContact O-N 3.13Å |
| 7 | R | 67.4 | Low | 63.8 | Low | 141 Ų | 141 | 103.4 Ų | 103.4 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | trans | -68.6 | 110.7 | 173.3 | -76.5 | -175.2 | 172.7 | 177.8 | -3.2 | 109.1 | Y62 F66 | R7-Y62 WeakPolarHBondContact CA-OH 3.4Å; R7-F66 HydrophobicContact CB-CE1 4.26Å; R7-F66 HydrophobicContact CB-CZ 4.46Å; R7-F66 HydrophobicContact CG-CB 4.39Å; R7-F66 HydrophobicContact CG-CD1 3.47Å; R7-F66 VanDerWaalsContact CG-CD1 3.47Å; R7-F66 HydrophobicContact CG-CD2 4.14Å; R7-F66 HydrophobicContact CG-CE1 3.54Å; R7-F66 HydrophobicContact CG-CE2 4.24Å; R7-F66 HydrophobicContact CG-CG 3.76Å; R7-F66 HydrophobicContact CG-CZ 3.93Å | ||
| 8 | E | 64.7 | Low | 64.5 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | trans | -73 | -33.6 | 176.7 | -86.6 | -171.6 | 68 | 0 | 0 | 113.2 | A6 F27 Y62 | A6-E8 PolarHBondContact O-N 3.31Å; A6-E8 VanDerWaalsContact O-N 3.13Å; E8-F27 HydrophobicContact CB-CE2 4.5Å; E8-F27 HydrophobicContact CG-CE2 4.17Å; E8-F27 WeakPolarHBondContact OE2-CD2 3.29Å; E8-F27 WeakPolarHBondContact OE2-CE2 3.48Å; E8-Y62 PolarHBondContact N-OH 2.98Å | ||
| 9 | W | 77 | Confident | 65.1 | Low | 46 Ų | 46 | 101.4 Ų | 101.4 | 17% | 0.174 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -127.5 | 144.6 | -177.5 | -55.5 | -65.2 | 0 | 0 | 0 | 113.3 | Q13 L14 L19 D23 F27 Y62 | W9-Q13 HydrophobicContact CB-CB 4.36Å; W9-L14 HydrophobicContact CB-CD1 4.38Å; W9-L14 HydrophobicContact CB-CD2 4.13Å; W9-L14 HydrophobicContact CB-CG 3.84Å; W9-L14 HydrophobicContact CE3-CD2 4.29Å; W9-L19 HydrophobicContact CB-CD2 4.39Å; W9-L19 HydrophobicContact CD2-CD1 4.22Å; W9-L19 HydrophobicContact CD2-CD2 3.91Å; W9-L19 HydrophobicContact CE3-CD2 4.36Å; W9-L19 HydrophobicContact CG-CD1 4.4Å; W9-L19 HydrophobicContact CG-CD2 3.89Å; W9-L19 HydrophobicContact CZ2-CD1 4.13Å; W9-D23 HydrophobicContact CH2-CB 4.42Å; W9-F27 HydrophobicContact CH2-CB 4.05Å; W9-F27 HydrophobicContact CH2-CD2 4.41Å; W9-F27 HydrophobicContact CH2-CG 4.42Å; W9-F27 HydrophobicContact CZ3-CB 3.71Å; W9-F27 HydrophobicContact CZ3-CD2 4.14Å; W9-F27 AromaticContact CZ3-CG 3.88Å; W9-F27 HydrophobicContact CZ3-CG 3.88Å; W9-Y62 HydrophobicContact CE3-CD2 4.4Å; W9-Y62 AromaticContact CE3-CE2 3.71Å; W9-Y62 HydrophobicContact CE3-CE2 3.71Å; W9-Y62 HydrophobicContact CZ3-CE2 4.02Å; W9-Y62 PolarHBondContact N-OH 2.95Å |
| 10 | S | 68.6 | Low | 66.1 | Low | 53 Ų | 53 | 99.6 Ų | 99.6 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | trans | -81.1 | 163.2 | 170.8 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | E12 Q13 L14 | S10-E12 PolarHBondContact O-N 2.95Å; S10-Q13 PolarHBondContact O-N 2.81Å; S10-Q13 VanDerWaalsContact O-N 3.11Å; S10-Q13 WeakPolarHBondContact OG-CG 3.3Å; S10-Q13 PolarHBondContact OG-N 2.75Å; S10-Q13 PolarHBondContact OG-OE1 2.85Å; S10-L14 WeakPolarHBondContact O-CG 3.44Å; S10-L14 PolarHBondContact O-N 2.97Å | ||
| 11 | D | 65.4 | Low | 66.8 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -33.8 | -178.6 | -162.8 | -105.8 | 0 | 0 | 0 | 112.7 | K15 N63 | D11-K15 WeakPolarHBondContact O-CD 3.35Å; D11-K15 WeakPolarHBondContact O-CG 3.27Å; D11-K15 PolarHBondContact O-N 2.88Å; D11-K15 WeakPolarHBondContact OD1-CE 3.26Å; D11-K15 IonicContact OD1-NZ 2.66Å; D11-K15 PolarHBondContact OD1-NZ 3.12Å; D11-N63 PolarHBondContact OD2-ND2 2.72Å |
| 12 | E | 67.1 | Low | 69.1 | Low | 164 Ų | 164 | 91 Ų | 91 | 77% | 0.766 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.7 | -40 | 176 | -66.9 | 179 | 103.5 | 0 | 0 | 112 | S10 K15 S16 | S10-E12 PolarHBondContact O-N 2.95Å; E12-K15 PolarHBondContact O-N 3.36Å; E12-S16 PolarHBondContact O-N 2.82Å |
| 13 | Q | 74.5 | Confident | 71 | Confident | 105 Ų | 105 | 87 Ų | 87 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.1 | -35 | 176.5 | -70.7 | 176.9 | -70.8 | 0 | 0 | 112.3 | W9 S10 K15 S16 L19 | W9-Q13 HydrophobicContact CB-CB 4.36Å; S10-Q13 PolarHBondContact O-N 2.81Å; S10-Q13 VanDerWaalsContact O-N 3.11Å; S10-Q13 WeakPolarHBondContact OG-CG 3.3Å; S10-Q13 PolarHBondContact OG-N 2.75Å; S10-Q13 PolarHBondContact OG-OE1 2.85Å; Q13-K15 VanDerWaalsContact C-N 3.28Å; Q13-K15 PolarHBondContact O-N 2.95Å; Q13-S16 PolarHBondContact O-N 3.48Å; Q13-L19 WeakPolarHBondContact O-CB 3.2Å |
| 14 | L | 74 | Confident | 72.6 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.6 | -31.5 | 176.2 | -76.2 | 159.8 | 0 | 0 | 0 | 112.6 | W9 S10 L19 I24 K55 V59 Y62 | W9-L14 HydrophobicContact CB-CD1 4.38Å; W9-L14 HydrophobicContact CB-CD2 4.13Å; W9-L14 HydrophobicContact CB-CG 3.84Å; W9-L14 HydrophobicContact CE3-CD2 4.29Å; S10-L14 WeakPolarHBondContact O-CG 3.44Å; S10-L14 PolarHBondContact O-N 2.97Å; L14-L19 HydrophobicContact CD2-CD2 3.85Å; L14-L19 HydrophobicContact CG-CD2 4.39Å; L14-I24 HydrophobicContact CD2-CD1 3.98Å; L14-I24 HydrophobicContact CD2-CG1 4.07Å; L14-I24 HydrophobicContact CD2-CG2 4.07Å; L14-K55 VanDerWaalsContact O-CE 3.3Å; L14-K55 WeakPolarHBondContact O-CE 3.16Å; L14-V59 HydrophobicContact CB-CB 4.26Å; L14-V59 HydrophobicContact CB-CG1 3.76Å; L14-V59 HydrophobicContact CB-CG2 3.77Å; L14-V59 HydrophobicContact CD1-CG1 4.32Å; L14-V59 VanDerWaalsContact O-CG2 3.28Å; L14-V59 WeakPolarHBondContact O-CG2 3.28Å; L14-Y62 HydrophobicContact CD1-CD1 3.32Å; L14-Y62 HydrophobicContact CD1-CE1 3.69Å; L14-Y62 HydrophobicContact CD1-CG 4.04Å; L14-Y62 HydrophobicContact CD2-CD1 4.12Å; L14-Y62 HydrophobicContact CD2-CD2 4.44Å; L14-Y62 HydrophobicContact CD2-CG 4.05Å; L14-Y62 HydrophobicContact CG-CD1 4.36Å |
| 15 | K | 70.6 | Confident | 74.2 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -83.4 | -21.9 | 176.5 | -71.7 | 170.5 | 178.2 | 167.1 | 0 | 113.1 | D11 E12 Q13 V59 | D11-K15 WeakPolarHBondContact O-CD 3.35Å; D11-K15 WeakPolarHBondContact O-CG 3.27Å; D11-K15 PolarHBondContact O-N 2.88Å; D11-K15 WeakPolarHBondContact OD1-CE 3.26Å; D11-K15 IonicContact OD1-NZ 2.66Å; D11-K15 PolarHBondContact OD1-NZ 3.12Å; E12-K15 PolarHBondContact O-N 3.36Å; Q13-K15 VanDerWaalsContact C-N 3.28Å; Q13-K15 PolarHBondContact O-N 2.95Å; K15-V59 HydrophobicContact CG-CG1 4.33Å; K15-V59 HydrophobicContact CG-CG2 4.35Å |
| 16 | S | 75.8 | Confident | 75.3 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -65.3 | 142.5 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | E12 Q13 D18 L19 K55 | E12-S16 PolarHBondContact O-N 2.82Å; Q13-S16 PolarHBondContact O-N 3.48Å; S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 2.79Å; S16-D18 PolarHBondContact OG-OD2 3.05Å; S16-L19 PolarHBondContact O-N 2.91Å; S16-K55 VanDerWaalsContact O-CE 3.22Å; S16-K55 WeakPolarHBondContact O-CE 3.31Å; S16-K55 PolarHBondContact O-NZ 2.81Å |
| 17 | D | 75.1 | Confident | 76.6 | Confident | 154 Ų | 154 | 78.8 Ų | 78.8 | 82% | 0.824 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.5 | 175.3 | -99.1 | -75.1 | 0 | 0 | 0 | 113.3 | L19 | D17-L19 PolarHBondContact O-N 2.9Š|
| 18 | D | 75.6 | Confident | 77.3 | Confident | 147 Ų | 147 | 72.1 Ų | 72.1 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26 | 178.1 | -62.5 | -75.5 | 0 | 0 | 0 | 113.7 | S16 P20 | S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 2.79Å; S16-D18 PolarHBondContact OG-OD2 3.05Å; D18-P20 WeakPolarHBondContact O-CD 3.39Å |
| 19 | L | 76.8 | Confident | 78.2 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -87.4 | 116.6 | -178.5 | -169.4 | 67 | 0 | 0 | 0 | 111.8 | W9 Q13 L14 S16 D17 K21 I24 K55 | W9-L19 HydrophobicContact CB-CD2 4.39Å; W9-L19 HydrophobicContact CD2-CD1 4.22Å; W9-L19 HydrophobicContact CD2-CD2 3.91Å; W9-L19 HydrophobicContact CE3-CD2 4.36Å; W9-L19 HydrophobicContact CG-CD1 4.4Å; W9-L19 HydrophobicContact CG-CD2 3.89Å; W9-L19 HydrophobicContact CZ2-CD1 4.13Å; Q13-L19 WeakPolarHBondContact O-CB 3.2Å; L14-L19 HydrophobicContact CD2-CD2 3.85Å; L14-L19 HydrophobicContact CG-CD2 4.39Å; S16-L19 PolarHBondContact O-N 2.91Å; D17-L19 PolarHBondContact O-N 2.9Å; L19-K21 PolarHBondContact O-N 2.86Å; L19-I24 HydrophobicContact CD2-CD1 3.77Å; L19-I24 HydrophobicContact CD2-CG1 3.65Å; L19-I24 HydrophobicContact CG-CD1 4.22Å; L19-I24 HydrophobicContact CG-CG1 4.05Å; L19-K55 PolarHBondContact O-NZ 3.01Å |
| 20 | P | 83.7 | Confident | 78.2 | Confident | 65 Ų | 65 | 71 Ų | 71 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | trans | -68.7 | 135 | -176.8 | -14.1 | 27.9 | 0 | 0 | 0 | 111.5 | D18 K22 D23 I24 | D18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-K22 PolarHBondContact O-N 2.84Å; P20-D23 VanDerWaalsContact CB-OD2 3.31Å; P20-D23 WeakPolarHBondContact CB-OD2 3.21Å; P20-D23 VanDerWaalsContact CG-OD2 3.23Å; P20-D23 WeakPolarHBondContact CG-OD2 3.4Å; P20-D23 PolarHBondContact O-N 2.95Å; P20-I24 PolarHBondContact O-N 2.84Å | ||
| 21 | K | 82.6 | Confident | 78.8 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.7 | -34.1 | 175.6 | -70.4 | -178.3 | -179 | 179.5 | 0 | 112.9 | L19 D23 I24 I25 A53 K55 L58 | L19-K21 PolarHBondContact O-N 2.86Å; K21-D23 VanDerWaalsContact C-N 3.33Å; K21-D23 PolarHBondContact O-N 3.24Å; K21-I24 PolarHBondContact O-N 2.67Å; K21-I25 WeakPolarHBondContact O-CD1 3.26Å; K21-I25 WeakPolarHBondContact O-CG1 3.41Å; K21-I25 PolarHBondContact O-N 3.1Å; K21-A53 PolarHBondContact NZ-O 2.77Å; K21-K55 HydrophobicContact CG-CD 3.82Å; K21-L58 HydrophobicContact CB-CD1 3.66Å; K21-L58 HydrophobicContact CD-CD1 4.27Å; K21-L58 HydrophobicContact CG-CD1 3.85Å |
| 22 | K | 86 | Confident | 79.4 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | -178 | -65.6 | 176.3 | -176.6 | 165.8 | 0 | 112.1 | P20 K26 I46 A50 | P20-K22 PolarHBondContact O-N 2.84Å; K22-K26 VanDerWaalsContact O-CB 3.29Å; K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 PolarHBondContact O-N 3.42Å; K22-I46 HydrophobicContact CB-CG2 3.9Å; K22-I46 HydrophobicContact CG-CG2 4.17Å; K22-A50 HydrophobicContact CG-CB 3.91Å |
| 23 | D | 83.3 | Confident | 79.9 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.1 | -40.7 | 179.2 | -70 | -69.8 | 0 | 0 | 0 | 111.3 | W9 P20 K21 I25 K26 F27 | W9-D23 HydrophobicContact CH2-CB 4.42Å; P20-D23 VanDerWaalsContact CB-OD2 3.31Å; P20-D23 WeakPolarHBondContact CB-OD2 3.21Å; P20-D23 VanDerWaalsContact CG-OD2 3.23Å; P20-D23 WeakPolarHBondContact CG-OD2 3.4Å; P20-D23 PolarHBondContact O-N 2.95Å; K21-D23 VanDerWaalsContact C-N 3.33Å; K21-D23 PolarHBondContact O-N 3.24Å; D23-I25 PolarHBondContact O-N 3.01Å; D23-K26 PolarHBondContact O-N 3.46Å; D23-F27 WeakPolarHBondContact O-CB 3.49Å; D23-F27 PolarHBondContact O-N 3.16Å |
| 24 | I | 83.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.4 | -49.6 | 170.5 | 0 | 0 | 0 | 110.5 | L14 L19 P20 K21 F27 L28 L58 Y62 | L14-I24 HydrophobicContact CD2-CD1 3.98Å; L14-I24 HydrophobicContact CD2-CG1 4.07Å; L14-I24 HydrophobicContact CD2-CG2 4.07Å; L19-I24 HydrophobicContact CD2-CD1 3.77Å; L19-I24 HydrophobicContact CD2-CG1 3.65Å; L19-I24 HydrophobicContact CG-CD1 4.22Å; L19-I24 HydrophobicContact CG-CG1 4.05Å; P20-I24 PolarHBondContact O-N 2.84Å; K21-I24 PolarHBondContact O-N 2.67Å; I24-F27 PolarHBondContact O-N 3.26Å; I24-L28 HydrophobicContact CG2-CD1 4.13Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CG 3.19Å; I24-L28 PolarHBondContact O-N 3.13Å; I24-L58 HydrophobicContact CB-CB 4.43Å; I24-L58 HydrophobicContact CD1-CB 4.5Å; I24-L58 HydrophobicContact CG2-CB 3.94Å; I24-Y62 HydrophobicContact CG2-CD2 4.38Å |
| 25 | I | 87.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177.8 | -65.1 | 159.2 | 0 | 0 | 0 | 110.7 | K21 D23 L28 Q29 L42 I46 V49 A50 L58 | K21-I25 WeakPolarHBondContact O-CD1 3.26Å; K21-I25 WeakPolarHBondContact O-CG1 3.41Å; K21-I25 PolarHBondContact O-N 3.1Å; D23-I25 PolarHBondContact O-N 3.01Å; I25-L28 PolarHBondContact O-N 3.35Å; I25-Q29 HydrophobicContact CG2-CG 4.27Å; I25-Q29 WeakPolarHBondContact O-CB 3.47Å; I25-Q29 WeakPolarHBondContact O-CG 2.95Å; I25-Q29 PolarHBondContact O-N 2.94Å; I25-L42 HydrophobicContact CG1-CD2 4.46Å; I25-I46 HydrophobicContact CB-CG2 4.16Å; I25-I46 HydrophobicContact CG2-CB 4.43Å; I25-I46 HydrophobicContact CG2-CG1 4.24Å; I25-I46 HydrophobicContact CG2-CG2 4.07Å; I25-V49 HydrophobicContact CD1-CB 4.28Å; I25-V49 HydrophobicContact CD1-CG1 3.86Å; I25-V49 HydrophobicContact CG1-CG1 4.15Å; I25-V49 HydrophobicContact CG2-CB 4.24Å; I25-V49 HydrophobicContact CG2-CG1 3.91Å; I25-A50 HydrophobicContact CD1-CB 3.69Å; I25-L58 HydrophobicContact CD1-CD1 3.87Å; I25-L58 HydrophobicContact CD1-CD2 4.08Å; I25-L58 HydrophobicContact CG1-CD1 3.76Å; I25-L58 HydrophobicContact CG1-CD2 3.36Å; I25-L58 HydrophobicContact CG1-CG 4.2Å |
| 26 | K | 84.9 | Confident | 79.9 | Confident | 124 Ų | 124 | 57 Ų | 57 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.1 | -172.9 | -177.5 | 177 | -168.5 | 0 | 110.9 | K22 D23 L28 Q29 D30 I46 | K22-K26 VanDerWaalsContact O-CB 3.29Å; K22-K26 WeakPolarHBondContact O-CB 3.43Å; K22-K26 PolarHBondContact O-N 3.42Å; D23-K26 PolarHBondContact O-N 3.46Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 PolarHBondContact O-N 3.46Å; K26-Q29 PolarHBondContact O-N 3.35Å; K26-D30 WeakPolarHBondContact O-CB 3.31Å; K26-D30 PolarHBondContact O-N 3.15Å; K26-I46 HydrophobicContact CB-CD1 3.9Å; K26-I46 HydrophobicContact CG-CD1 3.94Å |
| 27 | F | 84.6 | Confident | 80.1 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 176.9 | -178.7 | -82.6 | 0 | 0 | 0 | 111.2 | P5 E8 W9 D23 I24 Q29 D30 N31 Y62 L65 F66 | P5-F27 HydrophobicContact CB-CZ 4.35Å; E8-F27 HydrophobicContact CB-CE2 4.5Å; E8-F27 HydrophobicContact CG-CE2 4.17Å; E8-F27 WeakPolarHBondContact OE2-CD2 3.29Å; E8-F27 WeakPolarHBondContact OE2-CE2 3.48Å; W9-F27 HydrophobicContact CH2-CB 4.05Å; W9-F27 HydrophobicContact CH2-CD2 4.41Å; W9-F27 HydrophobicContact CH2-CG 4.42Å; W9-F27 HydrophobicContact CZ3-CB 3.71Å; W9-F27 HydrophobicContact CZ3-CD2 4.14Å; W9-F27 AromaticContact CZ3-CG 3.88Å; W9-F27 HydrophobicContact CZ3-CG 3.88Å; D23-F27 WeakPolarHBondContact O-CB 3.49Å; D23-F27 PolarHBondContact O-N 3.16Å; I24-F27 PolarHBondContact O-N 3.26Å; F27-Q29 PolarHBondContact O-N 3.09Å; F27-D30 PolarHBondContact O-N 3.09Å; F27-N31 HydrophobicContact CE1-CB 4.05Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.34Å; F27-N31 HydrophobicContact CZ-CB 4.22Å; F27-N31 WeakPolarHBondContact O-CB 3.15Å; F27-N31 PolarHBondContact O-N 2.86Å; F27-N31 PolarHBondContact O-ND2 3.25Å; F27-Y62 AromaticContact CD1-CD2 3.76Å; F27-Y62 HydrophobicContact CD1-CD2 3.76Å; F27-Y62 AromaticContact CD1-CE2 3.36Å; F27-Y62 HydrophobicContact CD1-CE2 3.36Å; F27-Y62 HydrophobicContact CE1-CD2 4.15Å; F27-Y62 AromaticContact CE1-CE2 3.5Å; F27-Y62 HydrophobicContact CE1-CE2 3.5Å; F27-Y62 VanDerWaalsContact CE1-CE2 3.5Å; F27-Y62 HydrophobicContact CG-CE2 4.04Å; F27-Y62 HydrophobicContact CZ-CE2 4.25Å; F27-L65 HydrophobicContact CE1-CD2 4.38Å; F27-F66 AromaticContact CE1-CE2 3.55Å; F27-F66 HydrophobicContact CE1-CE2 3.55Å; F27-F66 AromaticContact CE1-CZ 3.54Å; F27-F66 HydrophobicContact CE1-CZ 3.54Å; F27-F66 HydrophobicContact CZ-CE2 4.06Å; F27-F66 AromaticContact CZ-CZ 3.53Å; F27-F66 HydrophobicContact CZ-CZ 3.53Å |
| 28 | L | 82.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 176.7 | -76.5 | 170 | 0 | 0 | 0 | 110.6 | I24 I25 K26 D30 N31 A32 F36 L37 L42 A61 Y62 L65 | I24-L28 HydrophobicContact CG2-CD1 4.13Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CG 3.19Å; I24-L28 PolarHBondContact O-N 3.13Å; I25-L28 PolarHBondContact O-N 3.35Å; K26-L28 VanDerWaalsContact C-N 3.35Å; K26-L28 PolarHBondContact O-N 3.46Å; L28-D30 VanDerWaalsContact C-N 3.31Å; L28-D30 PolarHBondContact O-N 3.48Å; L28-N31 PolarHBondContact O-N 2.92Å; L28-A32 WeakPolarHBondContact O-CA 3.03Å; L28-A32 WeakPolarHBondContact O-CB 2.97Å; L28-A32 PolarHBondContact O-N 3.36Å; L28-F36 HydrophobicContact CD2-CE1 4.05Å; L28-L37 HydrophobicContact CB-CD2 4.22Å; L28-L42 HydrophobicContact CB-CD1 4.21Å; L28-L42 HydrophobicContact CD1-CD1 3.53Å; L28-L42 HydrophobicContact CG-CD1 4.42Å; L28-A61 HydrophobicContact CD1-CB 3.94Å; L28-Y62 HydrophobicContact CD2-CD2 4.41Å; L28-Y62 HydrophobicContact CG-CD2 4.49Å; L28-L65 HydrophobicContact CD2-CB 3.9Å; L28-L65 HydrophobicContact CD2-CD2 3.58Å; L28-L65 HydrophobicContact CD2-CG 4.35Å |
| 29 | Q | 83.6 | Confident | 80.1 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -33.7 | -179.7 | -73.8 | -178 | 3.1 | 0 | 0 | 114.1 | I25 K26 F27 L37 L42 G44 | I25-Q29 HydrophobicContact CG2-CG 4.27Å; I25-Q29 WeakPolarHBondContact O-CB 3.47Å; I25-Q29 WeakPolarHBondContact O-CG 2.95Å; I25-Q29 PolarHBondContact O-N 2.94Å; K26-Q29 PolarHBondContact O-N 3.35Å; F27-Q29 PolarHBondContact O-N 3.09Å; Q29-L37 HydrophobicContact CB-CD1 4.25Å; Q29-L37 HydrophobicContact CB-CD2 4.4Å; Q29-L37 HydrophobicContact CG-CD1 4.23Å; Q29-L37 HydrophobicContact CG-CD2 3.99Å; Q29-L42 WeakPolarHBondContact CG-O 3.37Å; Q29-L42 PolarHBondContact NE2-O 2.93Å; Q29-G44 PolarHBondContact NE2-O 3Å |
| 30 | D | 77.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.2 | -36.9 | -178.5 | -158.9 | -114.5 | 0 | 0 | 0 | 111.8 | K26 F27 L28 K72 | K26-D30 WeakPolarHBondContact O-CB 3.31Å; K26-D30 PolarHBondContact O-N 3.15Å; F27-D30 PolarHBondContact O-N 3.09Å; L28-D30 VanDerWaalsContact C-N 3.31Å; L28-D30 PolarHBondContact O-N 3.48Å; D30-K72 WeakPolarHBondContact O-CD 3.42Å |
| 31 | N | 80.5 | Confident | 79.9 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -104.7 | -21.3 | -171.2 | -67.5 | -81.5 | 0 | 0 | 0 | 114.4 | P5 F27 L28 L65 F71 K72 | P5-N31 WeakPolarHBondContact CB-OD1 3.42Å; P5-N31 HydrophobicContact CG-CB 4.17Å; F27-N31 HydrophobicContact CE1-CB 4.05Å; F27-N31 WeakPolarHBondContact CE2-ND2 3.34Å; F27-N31 HydrophobicContact CZ-CB 4.22Å; F27-N31 WeakPolarHBondContact O-CB 3.15Å; F27-N31 PolarHBondContact O-N 2.86Å; F27-N31 PolarHBondContact O-ND2 3.25Å; L28-N31 PolarHBondContact O-N 2.92Å; N31-L65 HydrophobicContact CB-CD2 4.37Å; N31-F71 CarbonylContact O-C 3.41Å; N31-F71 WeakPolarHBondContact O-CA 3.32Å; N31-F71 WeakPolarHBondContact O-CB 3.46Å; N31-K72 PolarHBondContact O-N 3.33Å |
| 32 | A | 77.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 151 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L28 F36 L37 L65 | L28-A32 WeakPolarHBondContact O-CA 3.03Å; L28-A32 WeakPolarHBondContact O-CB 2.97Å; L28-A32 PolarHBondContact O-N 3.36Å; A32-F36 HydrophobicContact CB-CB 4.24Å; A32-F36 HydrophobicContact CB-CD1 3.54Å; A32-F36 HydrophobicContact CB-CE1 4.35Å; A32-F36 HydrophobicContact CB-CG 4.19Å; A32-L37 HydrophobicContact CB-CD2 3.92Å; A32-L37 HydrophobicContact CB-CG 4.02Å; A32-L65 HydrophobicContact CB-CD1 3.46Å; A32-L65 VanDerWaalsContact CB-CD1 3.46Å; A32-L65 HydrophobicContact CB-CD2 3.85Å; A32-L65 HydrophobicContact CB-CG 4.25Å |
| 33 | A | 77.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -60.9 | 149.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S35 F36 L37 R70 | A33-S35 PolarHBondContact O-N 3.48Å; A33-F36 WeakPolarHBondContact O-CB 3.47Å; A33-F36 PolarHBondContact O-N 3.21Å; A33-L37 PolarHBondContact O-N 2.77Å; A33-L37 VanDerWaalsContact O-N 3.12Å; A33-R70 HydrophobicContact CB-CB 4.49Å; A33-R70 WeakPolarHBondContact CB-O 3.18Å; A33-R70 PolarHBondContact N-O 3.34Å | ||
| 34 | H | 73.2 | Confident | 78.6 | Confident | 130 Ų | 130 | 51.3 Ų | 51.3 | 60% | 0.602 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60 | -36.1 | -177 | -170.7 | -85.5 | 0 | 0 | 0 | 112.1 | L37 N38 L43 | H34-L37 PolarHBondContact O-N 2.93Å; H34-N38 PolarHBondContact O-N 2.9Å; H34-N38 VanDerWaalsContact O-N 3.08Å; H34-L43 VanDerWaalsContact CE1-CD1 3.49Å; H34-L43 WeakPolarHBondContact CE1-CD1 3.42Å; H34-L43 WeakPolarHBondContact NE2-CD2 3.29Å |
| 35 | S | 66.8 | Low | 78.6 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.2 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | A33 L37 N38 E39 | A33-S35 PolarHBondContact O-N 3.48Å; S35-L37 PolarHBondContact O-N 3.04Å; S35-N38 WeakPolarHBondContact O-CB 3.21Å; S35-N38 PolarHBondContact O-N 2.91Å; S35-E39 PolarHBondContact O-N 2.91Å |
| 36 | F | 80.2 | Confident | 78.3 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.3 | -176.6 | -91.8 | 0 | 0 | 0 | 112.1 | L28 A32 A33 N38 E39 H40 A61 Q64 L65 R70 | L28-F36 HydrophobicContact CD2-CE1 4.05Å; A32-F36 HydrophobicContact CB-CB 4.24Å; A32-F36 HydrophobicContact CB-CD1 3.54Å; A32-F36 HydrophobicContact CB-CE1 4.35Å; A32-F36 HydrophobicContact CB-CG 4.19Å; A33-F36 WeakPolarHBondContact O-CB 3.47Å; A33-F36 PolarHBondContact O-N 3.21Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 3.33Å; F36-E39 PolarHBondContact O-N 3Å; F36-H40 AromaticContact CE1-CD2 3.72Å; F36-H40 AromaticContact CE2-CD2 3.69Å; F36-H40 AromaticContact CE2-NE2 3.56Å; F36-H40 AromaticContact CZ-CD2 3.41Å; F36-H40 VanDerWaalsContact CZ-CD2 3.41Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.34Å; F36-H40 AromaticContact CZ-NE2 3.49Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.43Å; F36-H40 PolarHBondContact O-CD2 2.78Å; F36-H40 PolarHBondContact O-N 2.84Å; F36-A61 HydrophobicContact CE1-CB 4.32Å; F36-A61 HydrophobicContact CZ-CB 4.28Å; F36-A61 WeakPolarHBondContact CZ-O 3.31Å; F36-Q64 HydrophobicContact CE2-CB 4.17Å; F36-Q64 HydrophobicContact CZ-CB 4.17Å; F36-L65 HydrophobicContact CD1-CD1 4.2Å; F36-L65 HydrophobicContact CE1-CB 3.91Å; F36-L65 HydrophobicContact CE1-CD1 4.38Å; F36-L65 HydrophobicContact CG-CD1 4.4Å; F36-L65 HydrophobicContact CZ-CB 3.91Å; F36-R70 HydrophobicContact CB-CB 4.38Å; F36-R70 HydrophobicContact CD2-CB 4.37Å |
| 37 | L | 79.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.6 | -63.2 | 170.5 | 0 | 0 | 0 | 112.2 | L28 Q29 A32 A33 H34 S35 K41 L42 L43 | L28-L37 HydrophobicContact CB-CD2 4.22Å; Q29-L37 HydrophobicContact CB-CD1 4.25Å; Q29-L37 HydrophobicContact CB-CD2 4.4Å; Q29-L37 HydrophobicContact CG-CD1 4.23Å; Q29-L37 HydrophobicContact CG-CD2 3.99Å; A32-L37 HydrophobicContact CB-CD2 3.92Å; A32-L37 HydrophobicContact CB-CG 4.02Å; A33-L37 PolarHBondContact O-N 2.77Å; A33-L37 VanDerWaalsContact O-N 3.12Å; H34-L37 PolarHBondContact O-N 2.93Å; S35-L37 PolarHBondContact O-N 3.04Å; L37-K41 PolarHBondContact O-N 3.09Å; L37-L42 HydrophobicContact CB-CB 4.46Å; L37-L42 HydrophobicContact CD2-CB 3.91Å; L37-L42 WeakPolarHBondContact O-CA 3.47Å; L37-L42 PolarHBondContact O-N 3.49Å; L37-L43 HydrophobicContact CB-CD2 3.59Å; L37-L43 HydrophobicContact CB-CG 3.7Å; L37-L43 HydrophobicContact CD1-CD2 4.11Å; L37-L43 PolarHBondContact O-N 3.17Å |
| 38 | N | 76.1 | Confident | 77.9 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 178.7 | -165 | 35.9 | 0 | 0 | 0 | 111.6 | H34 S35 F36 H40 K41 L43 | H34-N38 PolarHBondContact O-N 2.9Å; H34-N38 VanDerWaalsContact O-N 3.08Å; S35-N38 WeakPolarHBondContact O-CB 3.21Å; S35-N38 PolarHBondContact O-N 2.91Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 3.33Å; N38-H40 VanDerWaalsContact C-N 3.33Å; N38-H40 PolarHBondContact O-N 2.82Å; N38-K41 PolarHBondContact O-N 3.23Å; N38-L43 VanDerWaalsContact CA-CD1 3.47Å; N38-L43 HydrophobicContact CB-CD1 3.41Å; N38-L43 VanDerWaalsContact CB-CD1 3.41Å; N38-L43 HydrophobicContact CB-CG 4.28Å |
| 39 | E | 74.8 | Confident | 77.6 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.5 | -43.9 | -177.4 | -172.6 | 165.6 | 91.4 | 0 | 0 | 112 | S35 F36 K41 | S35-E39 PolarHBondContact O-N 2.91Å; F36-E39 PolarHBondContact O-N 3Å; E39-K41 PolarHBondContact O-N 3.34Å |
| 40 | H | 77.7 | Confident | 77.6 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 6.4 | 177 | -69.7 | -73 | 0 | 0 | 0 | 114 | F36 N38 L42 A61 Q64 | F36-H40 AromaticContact CE1-CD2 3.72Å; F36-H40 AromaticContact CE2-CD2 3.69Å; F36-H40 AromaticContact CE2-NE2 3.56Å; F36-H40 AromaticContact CZ-CD2 3.41Å; F36-H40 VanDerWaalsContact CZ-CD2 3.41Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.34Å; F36-H40 AromaticContact CZ-NE2 3.49Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.43Å; F36-H40 PolarHBondContact O-CD2 2.78Å; F36-H40 PolarHBondContact O-N 2.84Å; N38-H40 VanDerWaalsContact C-N 3.33Å; N38-H40 PolarHBondContact O-N 2.82Å; H40-L42 HydrophobicContact CB-CD1 3.75Å; H40-L42 HydrophobicContact CB-CG 3.68Å; H40-L42 PolarHBondContact O-N 3.18Å; H40-A61 HydrophobicContact CB-CB 4.22Å; H40-Q64 PolarHBondContact CE1-OE1 3.17Å; H40-Q64 PolarHBondContact NE2-OE1 3.1Å |
| 41 | K | 78 | Confident | 77.9 | Confident | 173 Ų | 173 | 65.8 Ų | 65.8 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.4 | -175.5 | -54 | -179.9 | -178.4 | -178.6 | 0 | 112.5 | L37 N38 E39 | L37-K41 PolarHBondContact O-N 3.09Å; N38-K41 PolarHBondContact O-N 3.23Å; E39-K41 PolarHBondContact O-N 3.34Å |
| 42 | L | 82.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -94.4 | 3.6 | 176.8 | -56.1 | 179.3 | 0 | 0 | 0 | 111.9 | I25 L28 Q29 L37 H40 V49 A53 L58 A61 | I25-L42 HydrophobicContact CG1-CD2 4.46Å; L28-L42 HydrophobicContact CB-CD1 4.21Å; L28-L42 HydrophobicContact CD1-CD1 3.53Å; L28-L42 HydrophobicContact CG-CD1 4.42Å; Q29-L42 WeakPolarHBondContact CG-O 3.37Å; Q29-L42 PolarHBondContact NE2-O 2.93Å; L37-L42 HydrophobicContact CB-CB 4.46Å; L37-L42 HydrophobicContact CD2-CB 3.91Å; L37-L42 WeakPolarHBondContact O-CA 3.47Å; L37-L42 PolarHBondContact O-N 3.49Å; H40-L42 HydrophobicContact CB-CD1 3.75Å; H40-L42 HydrophobicContact CB-CG 3.68Å; H40-L42 PolarHBondContact O-N 3.18Å; L42-V49 HydrophobicContact CB-CG1 4.48Å; L42-V49 HydrophobicContact CD2-CG1 3.57Å; L42-A53 HydrophobicContact CD2-CB 4.5Å; L42-L58 HydrophobicContact CD1-CD2 4.41Å; L42-L58 HydrophobicContact CD2-CD2 3.44Å; L42-L58 VanDerWaalsContact CD2-CD2 3.44Å; L42-A61 HydrophobicContact CD1-CB 4Å | ||
| 43 | L | 71.3 | Confident | 77.8 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | trans | -75.3 | 141.3 | 171.3 | -75.6 | 175.2 | 0 | 0 | 0 | 111.9 | H34 L37 N38 | H34-L43 VanDerWaalsContact CE1-CD1 3.49Å; H34-L43 WeakPolarHBondContact CE1-CD1 3.42Å; H34-L43 WeakPolarHBondContact NE2-CD2 3.29Å; L37-L43 HydrophobicContact CB-CD2 3.59Å; L37-L43 HydrophobicContact CB-CG 3.7Å; L37-L43 HydrophobicContact CD1-CD2 4.11Å; L37-L43 PolarHBondContact O-N 3.17Å; N38-L43 VanDerWaalsContact CA-CD1 3.47Å; N38-L43 HydrophobicContact CB-CD1 3.41Å; N38-L43 VanDerWaalsContact CB-CD1 3.41Å; N38-L43 HydrophobicContact CB-CG 4.28Å | ||
| 44 | G | 72.4 | Confident | 78.1 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 103.6 | -165.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q29 I46 | Q29-G44 PolarHBondContact NE2-O 3Å; G44-I46 PolarHBondContact O-N 2.8Å |
| 45 | N | 82 | Confident | 78.4 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | trans | -68.1 | 124.7 | -171.4 | -167 | -50.5 | 0 | 0 | 0 | 111.7 | K47 N48 V49 | N45-K47 PolarHBondContact O-N 2.88Å; N45-K47 PolarHBondContact OD1-N 3.34Å; N45-N48 WeakPolarHBondContact O-CA 3.07Å; N45-N48 WeakPolarHBondContact O-CB 3.34Å; N45-N48 PolarHBondContact O-N 2.92Å; N45-V49 PolarHBondContact O-N 2.91Å | ||
| 46 | I | 81.6 | Confident | 78.8 | Confident | 45 Ų | 45 | 77 Ų | 77 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -50 | -37.7 | -178.6 | -59.1 | 162.3 | 0 | 0 | 0 | 112.2 | K22 I25 K26 G44 N48 A50 | K22-I46 HydrophobicContact CB-CG2 3.9Å; K22-I46 HydrophobicContact CG-CG2 4.17Å; I25-I46 HydrophobicContact CB-CG2 4.16Å; I25-I46 HydrophobicContact CG2-CB 4.43Å; I25-I46 HydrophobicContact CG2-CG1 4.24Å; I25-I46 HydrophobicContact CG2-CG2 4.07Å; K26-I46 HydrophobicContact CB-CD1 3.9Å; K26-I46 HydrophobicContact CG-CD1 3.94Å; G44-I46 PolarHBondContact O-N 2.8Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3.03Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 2.96Å |
| 47 | K | 80.6 | Confident | 78.7 | Confident | 141 Ų | 141 | 81.8 Ų | 81.8 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.9 | -31.7 | 179.1 | -67.6 | -178.1 | -177.3 | 176.4 | 0 | 112.9 | N45 K51 | N45-K47 PolarHBondContact O-N 2.88Å; N45-K47 PolarHBondContact OD1-N 3.34Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å |
| 48 | N | 79.9 | Confident | 78.8 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -80.7 | -45.5 | 177.8 | -69.8 | -11.1 | 0 | 0 | 0 | 110.4 | N45 I46 A50 K51 T52 | N45-N48 WeakPolarHBondContact O-CA 3.07Å; N45-N48 WeakPolarHBondContact O-CB 3.34Å; N45-N48 PolarHBondContact O-N 2.92Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3.03Å; N48-A50 VanDerWaalsContact C-N 3.28Å; N48-A50 PolarHBondContact O-N 3.19Å; N48-K51 WeakPolarHBondContact O-CB 3.31Å; N48-K51 PolarHBondContact O-N 2.96Å; N48-T52 PolarHBondContact O-N 3.07Å; N48-T52 PolarHBondContact O-OG1 3.03Å |
| 49 | V | 77.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | I25 L42 N45 K51 T52 A53 | I25-V49 HydrophobicContact CD1-CB 4.28Å; I25-V49 HydrophobicContact CD1-CG1 3.86Å; I25-V49 HydrophobicContact CG1-CG1 4.15Å; I25-V49 HydrophobicContact CG2-CB 4.24Å; I25-V49 HydrophobicContact CG2-CG1 3.91Å; L42-V49 HydrophobicContact CB-CG1 4.48Å; L42-V49 HydrophobicContact CD2-CG1 3.57Å; N45-V49 PolarHBondContact O-N 2.91Å; V49-K51 PolarHBondContact O-N 2.99Å; V49-T52 PolarHBondContact O-N 2.66Å; V49-T52 PolarHBondContact O-OG1 2.96Å; V49-A53 HydrophobicContact CG1-CB 4.24Å; V49-A53 WeakPolarHBondContact O-CB 3.35Å; V49-A53 PolarHBondContact O-N 2.72Å |
| 50 | A | 82.8 | Confident | 79 | Confident | 17 Ų | 17 | 74 Ų | 74 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -22.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K22 I25 I46 N48 | K22-A50 HydrophobicContact CG-CB 3.91Å; I25-A50 HydrophobicContact CD1-CB 3.69Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 2.96Å; N48-A50 VanDerWaalsContact C-N 3.28Å; N48-A50 PolarHBondContact O-N 3.19Å |
| 51 | K | 83.3 | Confident | 79.1 | Confident | 177 Ų | 177 | 72 Ų | 72 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -80.4 | -31.8 | 174.8 | -71.9 | 174.9 | -179.9 | -177.1 | 0 | 111.9 | K47 N48 V49 | K47-K51 WeakPolarHBondContact O-CG 3.43Å; N48-K51 WeakPolarHBondContact O-CB 3.31Å; N48-K51 PolarHBondContact O-N 2.96Å; V49-K51 PolarHBondContact O-N 2.99Å |
| 52 | T | 77.4 | Confident | 79.1 | Confident | 115 Ų | 115 | 63.8 Ų | 63.8 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -94.8 | -28.4 | -177.4 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | N48 V49 | N48-T52 PolarHBondContact O-N 3.07Å; N48-T52 PolarHBondContact O-OG1 3.03Å; V49-T52 PolarHBondContact O-N 2.66Å; V49-T52 PolarHBondContact O-OG1 2.96Å |
| 53 | A | 79.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -87.7 | 132.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K21 L42 V49 L58 | K21-A53 PolarHBondContact NZ-O 2.77Å; L42-A53 HydrophobicContact CD2-CB 4.5Å; V49-A53 HydrophobicContact CG1-CB 4.24Å; V49-A53 WeakPolarHBondContact O-CB 3.35Å; V49-A53 PolarHBondContact O-N 2.72Å; A53-L58 HydrophobicContact CB-CD1 4.48Å; A53-L58 HydrophobicContact CB-CD2 4Å; A53-L58 HydrophobicContact CB-CG 4.23Å |
| 54 | K | 84.6 | Confident | 78.9 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | trans | -79.1 | 149 | 173.9 | -65.3 | -175.6 | 179.8 | -178.7 | 0 | 110.5 | E56 Q57 L58 | K54-E56 VanDerWaalsContact C-N 3.33Å; K54-E56 PolarHBondContact O-N 2.7Å; K54-Q57 HydrophobicContact CB-CB 4.41Å; K54-Q57 HydrophobicContact CB-CG 4.06Å; K54-Q57 WeakPolarHBondContact O-CB 3.29Å; K54-Q57 PolarHBondContact O-N 3.2Å; K54-Q57 VanDerWaalsContact O-N 3.11Å; K54-L58 PolarHBondContact O-N 3.26Å | ||
| 55 | K | 79.4 | Confident | 79.2 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.7 | -48.8 | -178.7 | -170.6 | 109.2 | 168.7 | -159.9 | 0 | 110.6 | L14 S16 L19 K21 Q57 L58 V59 | L14-K55 VanDerWaalsContact O-CE 3.3Å; L14-K55 WeakPolarHBondContact O-CE 3.16Å; S16-K55 VanDerWaalsContact O-CE 3.22Å; S16-K55 WeakPolarHBondContact O-CE 3.31Å; S16-K55 PolarHBondContact O-NZ 2.81Å; L19-K55 PolarHBondContact O-NZ 3.01Å; K21-K55 HydrophobicContact CG-CD 3.82Å; K55-Q57 VanDerWaalsContact C-N 3.27Å; K55-Q57 PolarHBondContact O-N 2.83Å; K55-L58 WeakPolarHBondContact O-CA 3.41Å; K55-L58 WeakPolarHBondContact O-CB 3.45Å; K55-L58 PolarHBondContact O-N 2.94Å; K55-V59 WeakPolarHBondContact O-CG2 3.24Å; K55-V59 PolarHBondContact O-N 2.91Å |
| 56 | E | 74 | Confident | 78.5 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.4 | -38 | 178 | -69.4 | 156 | 85.6 | 0 | 0 | 113 | K54 L58 V59 I60 | K54-E56 VanDerWaalsContact C-N 3.33Å; K54-E56 PolarHBondContact O-N 2.7Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.27Å; E56-V59 PolarHBondContact O-N 2.81Å; E56-I60 WeakPolarHBondContact O-CD1 3.3Å; E56-I60 VanDerWaalsContact O-CG1 3.24Å; E56-I60 WeakPolarHBondContact O-CG1 3.37Å; E56-I60 PolarHBondContact O-N 2.72Å |
| 57 | Q | 79.2 | Confident | 77.4 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177 | -67.9 | -70.5 | -69.2 | 0 | 0 | 111.7 | K54 K55 A61 | K54-Q57 HydrophobicContact CB-CB 4.41Å; K54-Q57 HydrophobicContact CB-CG 4.06Å; K54-Q57 WeakPolarHBondContact O-CB 3.29Å; K54-Q57 PolarHBondContact O-N 3.2Å; K54-Q57 VanDerWaalsContact O-N 3.11Å; K55-Q57 VanDerWaalsContact C-N 3.27Å; K55-Q57 PolarHBondContact O-N 2.83Å; Q57-A61 WeakPolarHBondContact O-CB 3.07Å; Q57-A61 PolarHBondContact O-N 2.78Å |
| 58 | L | 81.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 175.4 | -60.9 | 173.1 | 0 | 0 | 0 | 112.1 | K21 I24 I25 L42 A53 K54 K55 E56 Y62 | K21-L58 HydrophobicContact CB-CD1 3.66Å; K21-L58 HydrophobicContact CD-CD1 4.27Å; K21-L58 HydrophobicContact CG-CD1 3.85Å; I24-L58 HydrophobicContact CB-CB 4.43Å; I24-L58 HydrophobicContact CD1-CB 4.5Å; I24-L58 HydrophobicContact CG2-CB 3.94Å; I25-L58 HydrophobicContact CD1-CD1 3.87Å; I25-L58 HydrophobicContact CD1-CD2 4.08Å; I25-L58 HydrophobicContact CG1-CD1 3.76Å; I25-L58 HydrophobicContact CG1-CD2 3.36Å; I25-L58 HydrophobicContact CG1-CG 4.2Å; L42-L58 HydrophobicContact CD1-CD2 4.41Å; L42-L58 HydrophobicContact CD2-CD2 3.44Å; L42-L58 VanDerWaalsContact CD2-CD2 3.44Å; A53-L58 HydrophobicContact CB-CD1 4.48Å; A53-L58 HydrophobicContact CB-CD2 4Å; A53-L58 HydrophobicContact CB-CG 4.23Å; K54-L58 PolarHBondContact O-N 3.26Å; K55-L58 WeakPolarHBondContact O-CA 3.41Å; K55-L58 WeakPolarHBondContact O-CB 3.45Å; K55-L58 PolarHBondContact O-N 2.94Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 3.27Å; L58-Y62 VanDerWaalsContact O-CB 3.3Å; L58-Y62 WeakPolarHBondContact O-CB 3.37Å; L58-Y62 PolarHBondContact O-N 2.88Å |
| 59 | V | 77.7 | Confident | 75.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | L14 K15 K55 E56 Y62 N63 | L14-V59 HydrophobicContact CB-CB 4.26Å; L14-V59 HydrophobicContact CB-CG1 3.76Å; L14-V59 HydrophobicContact CB-CG2 3.77Å; L14-V59 HydrophobicContact CD1-CG1 4.32Å; L14-V59 VanDerWaalsContact O-CG2 3.28Å; L14-V59 WeakPolarHBondContact O-CG2 3.28Å; K15-V59 HydrophobicContact CG-CG1 4.33Å; K15-V59 HydrophobicContact CG-CG2 4.35Å; K55-V59 WeakPolarHBondContact O-CG2 3.24Å; K55-V59 PolarHBondContact O-N 2.91Å; E56-V59 PolarHBondContact O-N 2.81Å; V59-Y62 PolarHBondContact O-N 3.32Å; V59-N63 PolarHBondContact O-N 3.27Å; V59-N63 PolarHBondContact O-ND2 2.77Å |
| 60 | I | 76.4 | Confident | 75.2 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 177.9 | -67.2 | 163.3 | 0 | 0 | 0 | 110.1 | E56 Y62 N63 Q64 | E56-I60 WeakPolarHBondContact O-CD1 3.3Å; E56-I60 VanDerWaalsContact O-CG1 3.24Å; E56-I60 WeakPolarHBondContact O-CG1 3.37Å; E56-I60 PolarHBondContact O-N 2.72Å; I60-Y62 PolarHBondContact O-N 2.87Å; I60-N63 PolarHBondContact O-N 3.09Å; I60-Q64 HydrophobicContact CG2-CG 4.29Å; I60-Q64 VanDerWaalsContact O-CB 3.28Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.32Å; I60-Q64 WeakPolarHBondContact O-CG 3.46Å; I60-Q64 PolarHBondContact O-N 2.58Å |
| 61 | A | 79.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 F36 H40 L42 Q57 N63 Q64 L65 | L28-A61 HydrophobicContact CD1-CB 3.94Å; F36-A61 HydrophobicContact CE1-CB 4.32Å; F36-A61 HydrophobicContact CZ-CB 4.28Å; F36-A61 WeakPolarHBondContact CZ-O 3.31Å; H40-A61 HydrophobicContact CB-CB 4.22Å; L42-A61 HydrophobicContact CD1-CB 4Å; Q57-A61 WeakPolarHBondContact O-CB 3.07Å; Q57-A61 PolarHBondContact O-N 2.78Å; A61-N63 PolarHBondContact O-N 3.15Å; A61-Q64 PolarHBondContact O-N 2.85Å; A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 PolarHBondContact O-N 3.11Å |
| 62 | Y | 79.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 176.3 | -177.7 | -86 | 0 | 0 | 0 | 111.7 | R7 E8 W9 L14 I24 F27 L28 L58 V59 I60 Q64 L65 F66 | R7-Y62 WeakPolarHBondContact CA-OH 3.4Å; E8-Y62 PolarHBondContact N-OH 2.98Å; W9-Y62 HydrophobicContact CE3-CD2 4.4Å; W9-Y62 AromaticContact CE3-CE2 3.71Å; W9-Y62 HydrophobicContact CE3-CE2 3.71Å; W9-Y62 HydrophobicContact CZ3-CE2 4.02Å; W9-Y62 PolarHBondContact N-OH 2.95Å; L14-Y62 HydrophobicContact CD1-CD1 3.32Å; L14-Y62 HydrophobicContact CD1-CE1 3.69Å; L14-Y62 HydrophobicContact CD1-CG 4.04Å; L14-Y62 HydrophobicContact CD2-CD1 4.12Å; L14-Y62 HydrophobicContact CD2-CD2 4.44Å; L14-Y62 HydrophobicContact CD2-CG 4.05Å; L14-Y62 HydrophobicContact CG-CD1 4.36Å; I24-Y62 HydrophobicContact CG2-CD2 4.38Å; F27-Y62 AromaticContact CD1-CD2 3.76Å; F27-Y62 HydrophobicContact CD1-CD2 3.76Å; F27-Y62 AromaticContact CD1-CE2 3.36Å; F27-Y62 HydrophobicContact CD1-CE2 3.36Å; F27-Y62 HydrophobicContact CE1-CD2 4.15Å; F27-Y62 AromaticContact CE1-CE2 3.5Å; F27-Y62 HydrophobicContact CE1-CE2 3.5Å; F27-Y62 VanDerWaalsContact CE1-CE2 3.5Å; F27-Y62 HydrophobicContact CG-CE2 4.04Å; F27-Y62 HydrophobicContact CZ-CE2 4.25Å; L28-Y62 HydrophobicContact CD2-CD2 4.41Å; L28-Y62 HydrophobicContact CG-CD2 4.49Å; L58-Y62 VanDerWaalsContact O-CB 3.3Å; L58-Y62 WeakPolarHBondContact O-CB 3.37Å; L58-Y62 PolarHBondContact O-N 2.88Å; V59-Y62 PolarHBondContact O-N 3.32Å; I60-Y62 PolarHBondContact O-N 2.87Å; Y62-Q64 PolarHBondContact O-N 2.83Å; Y62-L65 WeakPolarHBondContact O-CB 3.33Å; Y62-L65 PolarHBondContact O-N 3.26Å; Y62-F66 HydrophobicContact CD1-CD2 4.42Å; Y62-F66 HydrophobicContact CD1-CE2 4.3Å; Y62-F66 HydrophobicContact CD2-CE2 4.18Å; Y62-F66 HydrophobicContact CE1-CD2 4.14Å; Y62-F66 AromaticContact CE1-CE2 3.79Å; Y62-F66 HydrophobicContact CE1-CE2 3.79Å; Y62-F66 AromaticContact CE2-CE2 3.66Å; Y62-F66 HydrophobicContact CE2-CE2 3.66Å; Y62-F66 HydrophobicContact CE2-CZ 4.32Å; Y62-F66 HydrophobicContact CG-CE2 4.49Å; Y62-F66 AromaticContact CZ-CE2 3.43Å; Y62-F66 VanDerWaalsContact CZ-CE2 3.43Å; Y62-F66 AromaticContact CZ-CZ 3.99Å; Y62-F66 WeakPolarHBondContact O-CD2 3.33Å |
| 63 | N | 76.9 | Confident | 72.6 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.7 | -75 | -40.6 | 0 | 0 | 0 | 112.3 | D11 V59 I60 A61 L65 F66 V67 | D11-N63 PolarHBondContact OD2-ND2 2.72Å; V59-N63 PolarHBondContact O-N 3.27Å; V59-N63 PolarHBondContact O-ND2 2.77Å; I60-N63 PolarHBondContact O-N 3.09Å; A61-N63 PolarHBondContact O-N 3.15Å; N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 2.75Å; N63-F66 PolarHBondContact O-N 3.05Å; N63-V67 WeakPolarHBondContact O-CB 3.48Å; N63-V67 VanDerWaalsContact O-CG2 3.26Å; N63-V67 WeakPolarHBondContact O-CG2 3.15Å; N63-V67 PolarHBondContact O-N 3.31Å |
| 64 | Q | 71.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 177.4 | -79.1 | -178.5 | -40.9 | 0 | 0 | 112.1 | F36 H40 I60 A61 Y62 F66 V67 S68 | F36-Q64 HydrophobicContact CE2-CB 4.17Å; F36-Q64 HydrophobicContact CZ-CB 4.17Å; H40-Q64 PolarHBondContact CE1-OE1 3.17Å; H40-Q64 PolarHBondContact NE2-OE1 3.1Å; I60-Q64 HydrophobicContact CG2-CG 4.29Å; I60-Q64 VanDerWaalsContact O-CB 3.28Å; I60-Q64 WeakPolarHBondContact O-CB 3.45Å; I60-Q64 VanDerWaalsContact O-CG 3.32Å; I60-Q64 WeakPolarHBondContact O-CG 3.46Å; I60-Q64 PolarHBondContact O-N 2.58Å; A61-Q64 PolarHBondContact O-N 2.85Å; Y62-Q64 PolarHBondContact O-N 2.83Å; Q64-F66 PolarHBondContact O-N 3.11Å; Q64-V67 PolarHBondContact O-N 3.34Å; Q64-S68 WeakPolarHBondContact O-CB 3.3Å; Q64-S68 PolarHBondContact O-N 3.14Å; Q64-S68 PolarHBondContact O-OG 3.21Å |
| 65 | L | 79.2 | Confident | 68.9 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 175.6 | 174.8 | 61.3 | 0 | 0 | 0 | 111.8 | F27 L28 N31 A32 F36 A61 Y62 N63 S68 K69 R70 F71 | F27-L65 HydrophobicContact CE1-CD2 4.38Å; L28-L65 HydrophobicContact CD2-CB 3.9Å; L28-L65 HydrophobicContact CD2-CD2 3.58Å; L28-L65 HydrophobicContact CD2-CG 4.35Å; N31-L65 HydrophobicContact CB-CD2 4.37Å; A32-L65 HydrophobicContact CB-CD1 3.46Å; A32-L65 VanDerWaalsContact CB-CD1 3.46Å; A32-L65 HydrophobicContact CB-CD2 3.85Å; A32-L65 HydrophobicContact CB-CG 4.25Å; F36-L65 HydrophobicContact CD1-CD1 4.2Å; F36-L65 HydrophobicContact CE1-CB 3.91Å; F36-L65 HydrophobicContact CE1-CD1 4.38Å; F36-L65 HydrophobicContact CG-CD1 4.4Å; F36-L65 HydrophobicContact CZ-CB 3.91Å; A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 PolarHBondContact O-N 3.11Å; Y62-L65 WeakPolarHBondContact O-CB 3.33Å; Y62-L65 PolarHBondContact O-N 3.26Å; N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 2.75Å; L65-S68 PolarHBondContact O-OG 2.83Å; L65-K69 VanDerWaalsContact O-CA 3.3Å; L65-K69 WeakPolarHBondContact O-CA 3.49Å; L65-K69 PolarHBondContact O-N 2.88Å; L65-R70 HydrophobicContact CD1-CB 4.42Å; L65-R70 WeakPolarHBondContact CD1-O 3.5Å; L65-R70 PolarHBondContact O-N 3.2Å; L65-F71 HydrophobicContact CD1-CD1 4.01Å; L65-F71 HydrophobicContact CD1-CE1 4.21Å; L65-F71 HydrophobicContact CD2-CD1 4.19Å; L65-F71 HydrophobicContact CD2-CE1 4.06Å; L65-F71 HydrophobicContact CG-CD1 4.01Å; L65-F71 HydrophobicContact CG-CE1 3.75Å |
| 66 | F | 66.1 | Low | 66.9 | Low | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77 | -28.8 | -178.5 | -71.9 | -99.3 | 0 | 0 | 0 | 113.2 | P5 R7 F27 Y62 N63 Q64 K69 F71 | P5-F66 HydrophobicContact CG-CE1 4.32Å; P5-F66 WeakPolarHBondContact O-CE1 3.01Å; R7-F66 HydrophobicContact CB-CE1 4.26Å; R7-F66 HydrophobicContact CB-CZ 4.46Å; R7-F66 HydrophobicContact CG-CB 4.39Å; R7-F66 HydrophobicContact CG-CD1 3.47Å; R7-F66 VanDerWaalsContact CG-CD1 3.47Å; R7-F66 HydrophobicContact CG-CD2 4.14Å; R7-F66 HydrophobicContact CG-CE1 3.54Å; R7-F66 HydrophobicContact CG-CE2 4.24Å; R7-F66 HydrophobicContact CG-CG 3.76Å; R7-F66 HydrophobicContact CG-CZ 3.93Å; F27-F66 AromaticContact CE1-CE2 3.55Å; F27-F66 HydrophobicContact CE1-CE2 3.55Å; F27-F66 AromaticContact CE1-CZ 3.54Å; F27-F66 HydrophobicContact CE1-CZ 3.54Å; F27-F66 HydrophobicContact CZ-CE2 4.06Å; F27-F66 AromaticContact CZ-CZ 3.53Å; F27-F66 HydrophobicContact CZ-CZ 3.53Å; Y62-F66 HydrophobicContact CD1-CD2 4.42Å; Y62-F66 HydrophobicContact CD1-CE2 4.3Å; Y62-F66 HydrophobicContact CD2-CE2 4.18Å; Y62-F66 HydrophobicContact CE1-CD2 4.14Å; Y62-F66 AromaticContact CE1-CE2 3.79Å; Y62-F66 HydrophobicContact CE1-CE2 3.79Å; Y62-F66 AromaticContact CE2-CE2 3.66Å; Y62-F66 HydrophobicContact CE2-CE2 3.66Å; Y62-F66 HydrophobicContact CE2-CZ 4.32Å; Y62-F66 HydrophobicContact CG-CE2 4.49Å; Y62-F66 AromaticContact CZ-CE2 3.43Å; Y62-F66 VanDerWaalsContact CZ-CE2 3.43Å; Y62-F66 AromaticContact CZ-CZ 3.99Å; Y62-F66 WeakPolarHBondContact O-CD2 3.33Å; N63-F66 PolarHBondContact O-N 3.05Å; Q64-F66 PolarHBondContact O-N 3.11Å; F66-K69 WeakPolarHBondContact O-CG 3.32Å; F66-F71 HydrophobicContact CB-CZ 4.36Å; F66-F71 AromaticContact CD1-CE1 3.96Å; F66-F71 HydrophobicContact CD1-CE1 3.96Å; F66-F71 AromaticContact CD1-CZ 3.6Å; F66-F71 HydrophobicContact CD1-CZ 3.6Å; F66-F71 HydrophobicContact CD2-CE1 4.48Å; F66-F71 HydrophobicContact CE1-CE1 4.09Å; F66-F71 HydrophobicContact CE1-CZ 4.09Å; F66-F71 HydrophobicContact CG-CE1 4.2Å; F66-F71 AromaticContact CG-CZ 3.95Å; F66-F71 HydrophobicContact CG-CZ 3.95Å; F66-F71 HydrophobicContact CZ-CE1 4.41Å |
| 67 | V | 59.3 | Low | 65.2 | Low | 112 Ų | 112 | 63 Ų | 63 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.1 | -43.4 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | N63 Q64 K69 | N63-V67 WeakPolarHBondContact O-CB 3.48Å; N63-V67 VanDerWaalsContact O-CG2 3.26Å; N63-V67 WeakPolarHBondContact O-CG2 3.15Å; N63-V67 PolarHBondContact O-N 3.31Å; Q64-V67 PolarHBondContact O-N 3.34Å; V67-K69 VanDerWaalsContact C-N 3.29Å |
| 68 | S | 58.9 | Low | 62.9 | Low | 54 Ų | 54 | 66.7 Ų | 66.7 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -80.9 | -11.1 | 179.6 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | Q64 L65 R70 | Q64-S68 WeakPolarHBondContact O-CB 3.3Å; Q64-S68 PolarHBondContact O-N 3.14Å; Q64-S68 PolarHBondContact O-OG 3.21Å; L65-S68 PolarHBondContact O-OG 2.83Å; S68-R70 WeakPolarHBondContact O-CG 3.08Å; S68-R70 PolarHBondContact O-N 3.13Å; S68-R70 WeakPolarHBondContact OG-CG 3.38Å |
| 69 | K | 65.5 | Low | 60.3 | Low | 111 Ų | 111 | 73.4 Ų | 73.4 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 29.2 | -175.3 | -60.1 | -171.9 | 174.5 | -152.6 | 0 | 113.7 | E4 L65 F66 V67 F71 | E4-K69 WeakPolarHBondContact OE1-CE 3.31Å; E4-K69 IonicContact OE1-NZ 3.64Å; E4-K69 PolarHBondContact OE1-NZ 3.28Å; E4-K69 WeakPolarHBondContact OE2-CD 3.24Å; E4-K69 WeakPolarHBondContact OE2-CE 3.11Å; E4-K69 IonicContact OE2-NZ 2.72Å; E4-K69 PolarHBondContact OE2-NZ 2.9Å; L65-K69 VanDerWaalsContact O-CA 3.3Å; L65-K69 WeakPolarHBondContact O-CA 3.49Å; L65-K69 PolarHBondContact O-N 2.88Å; F66-K69 WeakPolarHBondContact O-CG 3.32Å; V67-K69 VanDerWaalsContact C-N 3.29Å; K69-F71 VanDerWaalsContact CA-CE2 3.49Å; K69-F71 HydrophobicContact CB-CD2 4.19Å; K69-F71 HydrophobicContact CB-CE2 3.88Å; K69-F71 HydrophobicContact CG-CE2 4.17Å; K69-F71 WeakPolarHBondContact O-CD2 3.48Å; K69-F71 PolarHBondContact O-N 2.78Å |
| 70 | R | 67.4 | Low | 58.6 | Low | 88 Ų | 88 | 78.5 Ų | 78.5 | 33% | 0.332 | 43% | 0.431 | S | S | . | . | trans | -80.8 | 58.5 | -177.4 | -64.4 | -166.9 | 92.5 | 100.1 | 8.9 | 111.2 | A33 F36 L65 S68 | A33-R70 HydrophobicContact CB-CB 4.49Å; A33-R70 WeakPolarHBondContact CB-O 3.18Å; A33-R70 PolarHBondContact N-O 3.34Å; F36-R70 HydrophobicContact CB-CB 4.38Å; F36-R70 HydrophobicContact CD2-CB 4.37Å; L65-R70 HydrophobicContact CD1-CB 4.42Å; L65-R70 WeakPolarHBondContact CD1-O 3.5Å; L65-R70 PolarHBondContact O-N 3.2Å; S68-R70 WeakPolarHBondContact O-CG 3.08Å; S68-R70 PolarHBondContact O-N 3.13Å; S68-R70 WeakPolarHBondContact OG-CG 3.38Å | ||
| 71 | F | 74 | Confident | 56.4 | Low | 21 Ų | 21 | 80.5 Ų | 80.5 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 153.8 | -179.6 | -55.6 | -70.9 | 0 | 0 | 0 | 111.7 | E4 P5 N31 L65 F66 K69 G73 T74 | E4-F71 HydrophobicContact CB-CE2 4.45Å; E4-F71 HydrophobicContact CG-CD2 3.86Å; E4-F71 HydrophobicContact CG-CE2 3.28Å; E4-F71 HydrophobicContact CG-CZ 4.05Å; P5-F71 HydrophobicContact CG-CD1 3.24Å; P5-F71 HydrophobicContact CG-CE1 3.2Å; P5-F71 HydrophobicContact CG-CG 3.94Å; P5-F71 HydrophobicContact CG-CZ 3.88Å; N31-F71 CarbonylContact O-C 3.41Å; N31-F71 WeakPolarHBondContact O-CA 3.32Å; N31-F71 WeakPolarHBondContact O-CB 3.46Å; L65-F71 HydrophobicContact CD1-CD1 4.01Å; L65-F71 HydrophobicContact CD1-CE1 4.21Å; L65-F71 HydrophobicContact CD2-CD1 4.19Å; L65-F71 HydrophobicContact CD2-CE1 4.06Å; L65-F71 HydrophobicContact CG-CD1 4.01Å; L65-F71 HydrophobicContact CG-CE1 3.75Å; F66-F71 HydrophobicContact CB-CZ 4.36Å; F66-F71 AromaticContact CD1-CE1 3.96Å; F66-F71 HydrophobicContact CD1-CE1 3.96Å; F66-F71 AromaticContact CD1-CZ 3.6Å; F66-F71 HydrophobicContact CD1-CZ 3.6Å; F66-F71 HydrophobicContact CD2-CE1 4.48Å; F66-F71 HydrophobicContact CE1-CE1 4.09Å; F66-F71 HydrophobicContact CE1-CZ 4.09Å; F66-F71 HydrophobicContact CG-CE1 4.2Å; F66-F71 AromaticContact CG-CZ 3.95Å; F66-F71 HydrophobicContact CG-CZ 3.95Å; F66-F71 HydrophobicContact CZ-CE1 4.41Å; K69-F71 VanDerWaalsContact CA-CE2 3.49Å; K69-F71 HydrophobicContact CB-CD2 4.19Å; K69-F71 HydrophobicContact CB-CE2 3.88Å; K69-F71 HydrophobicContact CG-CE2 4.17Å; K69-F71 WeakPolarHBondContact O-CD2 3.48Å; K69-F71 PolarHBondContact O-N 2.78Å; F71-G73 PolarHBondContact O-N 3.27Å; F71-T74 PolarHBondContact O-OG1 2.75Å |
| 72 | K | 62.8 | Low | 54.3 | Low | 116 Ų | 116 | 87.9 Ų | 87.9 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 123.6 | -179.2 | -167.8 | 175.2 | 179.4 | 179.4 | 0 | 110.3 | D30 N31 | D30-K72 WeakPolarHBondContact O-CD 3.42Å; N31-K72 PolarHBondContact O-N 3.33Å |
| 73 | G | 51.8 | Low | 52.2 | Low | 57 Ų | 57 | 95.3 Ų | 95.3 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117 | 3.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F71 | F71-G73 PolarHBondContact O-N 3.27Š|
| 74 | T | 47.3 | Very low | 49.9 | Very low | 97 Ų | 97 | 99.1 Ų | 99.1 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | trans | -93.2 | 2.2 | 172.2 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | F71 | F71-T74 PolarHBondContact O-OG1 2.75Š| ||
| 75 | D | 40 | Very low | 47.8 | Very low | 79 Ų | 79 | 104 Ų | 104 | 42% | 0.422 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -97.6 | 136.5 | 169.8 | -57.6 | -80.7 | 0 | 0 | 0 | 108.6 | V77 | D75-V77 PolarHBondContact O-N 2.97Š|
| 76 | P | 37.5 | Very low | 45.5 | Very low | 112 Ų | 112 | 108.6 Ų | 108.6 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | -56.4 | 128.5 | 164.8 | -16.5 | 28.7 | 0 | 0 | 0 | 108.8 | E78 | P76-E78 PolarHBondContact O-N 3.03Å; P76-E78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | V | 36.9 | Very low | 43.7 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 87% | 0.873 | 64% | 0.636 | S | S | * | * | trans | -60.2 | 108.7 | 164.3 | -113.6 | 0 | 0 | 0 | 0 | 107.2 | D75 | D75-V77 PolarHBondContact O-N 2.97Š| ||
| 78 | E | 32.5 | Very low | 42.2 | Very low | 184 Ų | 184 | 118.9 Ų | 118.9 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -120.5 | 95.1 | 151.9 | -93.8 | 169.6 | 97.2 | 0 | 0 | 108.5 | P76 | P76-E78 PolarHBondContact O-N 3.03Å; P76-E78 VanDerWaalsContact O-N 3.08Å | ||
| 79 | D | 25.7 | Very low | 41.2 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | trans | -50.3 | 135.2 | 153.9 | -162.7 | -110.8 | 0 | 0 | 0 | 109.8 | ||||
| 80 | V | 40.8 | Very low | 39.3 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | trans | -7.3 | 127.7 | 164.8 | -145.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 81 | T | 31.6 | Very low | 37.6 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | 175.4 | 123.4 | 116.9 | 33.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 82 | E | 34.7 | Very low | 35.4 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | 42.6 | 119.7 | 138.2 | -75.4 | -179.6 | 65.9 | 0 | 0 | 124 | ||||
| 83 | Q | 35.1 | Very low | 34.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | 58.6 | 131.7 | 133.1 | -45.7 | -174.7 | 67.4 | 0 | 0 | 117.7 | ||||
| 84 | V | 29.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | -173.7 | 143.6 | 55.9 | -103.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 85 | K | 27.5 | Very low | 32.7 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 59.7 | 103 | 136.4 | -64.6 | 177.4 | 179 | 178.2 | 0 | 122.3 | ||||
| 86 | A | 31.3 | Very low | 32.2 | Very low | 95 Ų | 95 | 149.2 Ų | 149.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 33.8 | 119.6 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 87 | V | 27.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | -161 | 108.2 | 129.8 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 88 | K | 27.9 | Very low | 32 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | 59.3 | 119 | 104.7 | -152.4 | 171.4 | -178.5 | 179.9 | 0 | 117 | |||||
| 89 | V | 37.4 | Very low | 31.8 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -75.8 | 144.6 | -176.9 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 90 | E | 26.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -159 | 151.5 | 133.7 | -138.2 | 157 | 83.2 | 0 | 0 | 113.7 | ||||
| 91 | E | 31.6 | Very low | 32.1 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -51.4 | 166.5 | -176 | -76.9 | 168.8 | 56.4 | 0 | 0 | 116.5 | ||||
| 92 | K | 27.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -166.2 | 173.4 | 32.1 | -130.2 | 154.4 | -179.9 | 147.3 | 0 | 109 | ||||
| 93 | P | 36.8 | Very low | 33 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 137.3 | -157.6 | 34.4 | -33 | 0 | 0 | 0 | 113.2 | ||||
| 94 | K | 26.3 | Very low | 33.8 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -119.5 | 112.9 | 163.9 | -91.1 | -175.6 | 176.2 | 178 | 0 | 110.3 | ||||
| 95 | E | 41.7 | Very low | 35.2 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -41.6 | 127 | 154.6 | -171.9 | 171.3 | 94.2 | 0 | 0 | 110.5 | ||||
| 96 | V | 30.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -129 | 108.1 | 170.3 | -178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 97 | K | 35.4 | Very low | 39.6 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | -63 | 167.1 | 159.7 | -75.3 | 178.2 | 175.2 | 175.4 | 0 | 110 | ||||
| 98 | A | 34.7 | Very low | 42.3 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | trans | 84.6 | 144.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 99 | E | 28.6 | Very low | 44.9 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | cis | -167 | 161.9 | -0.6 | -108.8 | 162.5 | 139 | 0 | 0 | 103.1 | V101 | E99-V101 PolarHBondContact O-N 3.02Š| ||
| 100 | V | 41.1 | Very low | 47.1 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 92% | 0.921 | 66% | 0.662 | S | S | * | * | trans | -67 | 103.1 | -179.7 | -167.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 101 | V | 31.7 | Very low | 49.5 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | trans | -116.4 | 121.1 | 172.9 | -167 | 0 | 0 | 0 | 0 | 108.2 | E99 E103 | E99-V101 PolarHBondContact O-N 3.02Å; V101-E103 HydrophobicContact CG1-CG 4Å; V101-E103 PolarHBondContact O-N 3.14Å | ||
| 102 | D | 44.8 | Very low | 51.7 | Low | 168 Ų | 168 | 113.9 Ų | 113.9 | 90% | 0.898 | 63% | 0.626 | S | S | * | * | trans | -59.6 | 88.9 | 170.2 | -169.8 | -110.2 | 0 | 0 | 0 | 109.3 | ||||
| 103 | E | 39.8 | Very low | 53.8 | Low | 152 Ų | 152 | 110.5 Ų | 110.5 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | trans | -141.9 | 91.2 | 178.6 | -80.2 | -167.9 | 107.9 | 0 | 0 | 111.3 | V101 | V101-E103 HydrophobicContact CG1-CG 4Å; V101-E103 PolarHBondContact O-N 3.14Å | ||
| 104 | G | 51.2 | Low | 55.6 | Low | 64 Ų | 64 | 110.7 Ų | 110.7 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 78 | 169.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 105 | P | 58.9 | Low | 58.1 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -59.4 | 147.7 | 179 | 25.3 | -33.2 | 0 | 0 | 0 | 110.7 | K107 | P105-K107 PolarHBondContact O-N 3.43Š|
| 106 | P | 71.1 | Confident | 60.1 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 53% | 0.532 | 56% | 0.563 | S | S | . | * | trans | -53.1 | 128.4 | 179.7 | 19.4 | -30.5 | 0 | 0 | 0 | 110.4 | Y108 W193 | P106-Y108 HydrophobicContact CB-CD1 3.7Å; P106-Y108 HydrophobicContact CB-CE1 3.56Å; P106-Y108 PolarHBondContact O-N 3.05Å; P106-W193 HydrophobicContact CB-CH2 4.37Å; P106-W193 HydrophobicContact CB-CZ3 4.44Å | ||
| 107 | K | 80.6 | Confident | 62.4 | Low | 64 Ų | 64 | 97.3 Ų | 97.3 | 28% | 0.278 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -83.1 | 34.7 | 178.8 | -52.4 | -167.2 | 179.1 | -167.2 | 0 | 111.7 | P105 E190 E192 W193 | P105-K107 PolarHBondContact O-N 3.43Å; K107-E190 HydrophobicContact CB-CB 4.01Å; K107-E190 HydrophobicContact CB-CG 4.21Å; K107-E190 VanDerWaalsContact O-CB 3.3Å; K107-E190 WeakPolarHBondContact O-CB 3.36Å; K107-E190 WeakPolarHBondContact O-CG 3.48Å; K107-E190 PolarHBondContact O-N 3.2Å; K107-E192 HydrophobicContact CD-CB 3.84Å; K107-E192 HydrophobicContact CD-CG 4.41Å; K107-E192 VanDerWaalsContact CD-OE2 3.28Å; K107-E192 WeakPolarHBondContact CD-OE2 3.33Å; K107-E192 WeakPolarHBondContact CE-OE2 3.1Å; K107-E192 IonicContact NZ-OE1 2.75Å; K107-E192 PolarHBondContact NZ-OE1 3.27Å; K107-E192 IonicContact NZ-OE2 2.74Å; K107-E192 PolarHBondContact NZ-OE2 3.35Å; K107-W193 HydrophobicContact CB-CB 4.41Å; K107-W193 HydrophobicContact CB-CD2 3.97Å; K107-W193 HydrophobicContact CB-CG 3.84Å |
| 108 | Y | 84.9 | Confident | 64.5 | Low | 37 Ų | 37 | 94.9 Ų | 94.9 | 15% | 0.145 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.6 | 173.3 | 77.3 | -80.1 | 0 | 0 | 0 | 110.2 | P106 K110 E174 A175 E188 W193 | P106-Y108 HydrophobicContact CB-CD1 3.7Å; P106-Y108 HydrophobicContact CB-CE1 3.56Å; P106-Y108 PolarHBondContact O-N 3.05Å; Y108-K110 HydrophobicContact CE2-CB 4.47Å; Y108-E174 HydrophobicContact CE1-CB 3.76Å; Y108-A175 HydrophobicContact CD2-CB 3.89Å; Y108-A175 HydrophobicContact CE2-CB 3.57Å; Y108-E188 CarbonylContact C-O 3.57Å; Y108-E188 WeakPolarHBondContact CA-O 3.44Å; Y108-E188 WeakPolarHBondContact CB-O 3.13Å; Y108-W193 AromaticContact CD1-CE3 3.69Å; Y108-W193 HydrophobicContact CD1-CE3 3.69Å; Y108-W193 AromaticContact CD1-CZ3 3.47Å; Y108-W193 HydrophobicContact CD1-CZ3 3.47Å; Y108-W193 VanDerWaalsContact CD1-CZ3 3.47Å; Y108-W193 HydrophobicContact CE1-CE3 4.32Å; Y108-W193 AromaticContact CE1-CZ3 3.67Å; Y108-W193 HydrophobicContact CE1-CZ3 3.67Å |
| 109 | T | 81.3 | Confident | 66.6 | Low | 82 Ų | 82 | 96.2 Ų | 96.2 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.2 | 172.1 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | L187 E188 | T109-L187 CarbonylContact O-C 3.54Å; T109-L187 WeakPolarHBondContact O-CA 3.48Å; T109-E188 PolarHBondContact N-O 3.03Å; T109-E188 PolarHBondContact O-N 2.89Å |
| 110 | K | 84 | Confident | 69.2 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.5 | 172.1 | 178.3 | 178.1 | 84.8 | 156.4 | 0 | 109.9 | Y108 T178 M179 E183 A185 R186 L187 | Y108-K110 HydrophobicContact CE2-CB 4.47Å; K110-T178 WeakPolarHBondContact CD-OG1 3.16Å; K110-T178 WeakPolarHBondContact CE-OG1 3.5Å; K110-T178 PolarHBondContact NZ-O 3.43Å; K110-T178 PolarHBondContact NZ-OG1 3.26Å; K110-M179 HydrophobicContact CD-CG 4.15Å; K110-E183 IonicContact NZ-OE1 3.09Å; K110-E183 PolarHBondContact NZ-OE1 2.81Å; K110-E183 VanDerWaalsContact NZ-OE1 3.09Å; K110-A185 HydrophobicContact CD-CB 4.16Å; K110-A185 HydrophobicContact CG-CB 4.02Å; K110-R186 WeakPolarHBondContact CA-O 3.39Å; K110-L187 HydrophobicContact CB-CD2 3.8Å; K110-L187 HydrophobicContact CD-CD2 3.99Å; K110-L187 HydrophobicContact CG-CD2 3.56Å |
| 111 | A | 77.6 | Confident | 71.3 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L113 A185 R186 | A111-L113 PolarHBondContact O-N 2.87Å; A111-A185 CarbonylContact O-C 3.54Å; A111-A185 VanDerWaalsContact O-CA 3.3Å; A111-A185 WeakPolarHBondContact O-CA 3.45Å; A111-R186 PolarHBondContact N-O 3.03Å; A111-R186 PolarHBondContact O-N 3.11Å |
| 112 | V | 77.5 | Confident | 73.9 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 42% | 0.418 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.5 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | K115 E183 | V112-K115 HydrophobicContact CG1-CG 4.15Å; V112-E183 HydrophobicContact CG1-CG 3.88Å; V112-E183 WeakPolarHBondContact CG2-OE1 3.09Å |
| 113 | L | 72.5 | Confident | 75.8 | Confident | 99 Ų | 99 | 84.9 Ų | 84.9 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -42.5 | 177 | -67.3 | 168.4 | 0 | 0 | 0 | 111 | A111 T184 R186 E214 | A111-L113 PolarHBondContact O-N 2.87Å; L113-T184 WeakPolarHBondContact CA-O 3.33Å; L113-T184 HydrophobicContact CB-CG2 4.47Å; L113-T184 WeakPolarHBondContact CB-O 3.22Å; L113-T184 HydrophobicContact CD1-CG2 4.36Å; L113-T184 PolarHBondContact N-O 2.95Å; L113-R186 HydrophobicContact CD1-CB 3.95Å; L113-R186 HydrophobicContact CG-CB 4.22Å; L113-E214 HydrophobicContact CD1-CG 4.37Å; L113-E214 WeakPolarHBondContact CD1-OE1 3.3Å |
| 114 | K | 74.6 | Confident | 78 | Confident | 122 Ų | 122 | 84.9 Ų | 84.9 | 53% | 0.53 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124.2 | 176.8 | -174.2 | -175.3 | 174.3 | -169.9 | 0 | 108.7 | E183 T184 | K114-E183 WeakPolarHBondContact O-CA 3.48Å; K114-E183 WeakPolarHBondContact O-CG 3.45Å; K114-T184 PolarHBondContact N-O 3.43Å; K114-T184 PolarHBondContact O-N 3.03Å |
| 115 | K | 78.7 | Confident | 79.5 | Confident | 149 Ų | 149 | 83.1 Ų | 83.1 | 65% | 0.648 | 44% | 0.436 | S | S | * | . | trans | -67.7 | 134.8 | 177.8 | -67 | 171.2 | 179.4 | 168.9 | 0 | 109.6 | V112 | V112-K115 HydrophobicContact CG1-CG 4.15Š| ||
| 116 | G | 82.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 80 Ų | 80 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | trans | -83.1 | -157.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | K118 S180 K181 | G116-K118 PolarHBondContact O-N 3.18Å; G116-S180 WeakPolarHBondContact CA-OG 3.34Å; G116-K181 CarbonylContact C-O 3.52Å; G116-K181 VanDerWaalsContact CA-O 3.29Å; G116-K181 WeakPolarHBondContact CA-O 3.49Å | ||
| 117 | D | 79 | Confident | 81.4 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | trans | -74 | -10.6 | -179.9 | 66.9 | 19.4 | 0 | 0 | 0 | 114.5 | T119 N120 K181 | D117-T119 PolarHBondContact O-N 3.18Å; D117-T119 PolarHBondContact O-OG1 3.29Å; D117-T119 PolarHBondContact OD1-N 3.08Å; D117-N120 PolarHBondContact OD1-N 3.35Å; D117-N120 WeakPolarHBondContact OD2-CB 3.3Å; D117-N120 PolarHBondContact OD2-OD1 2.74Å; D117-K181 PolarHBondContact N-O 2.88Å; D117-K181 WeakPolarHBondContact OD2-CB 3.11Å | ||
| 118 | K | 80.8 | Confident | 81.8 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 50.2 | 22.4 | -176.8 | -58.5 | -177.9 | 173.7 | -173 | 0 | 114.7 | G116 F121 S180 | G116-K118 PolarHBondContact O-N 3.18Å; K118-F121 VanDerWaalsContact C-CE2 3.4Å; K118-F121 HydrophobicContact CB-CZ 4.46Å; K118-F121 WeakPolarHBondContact O-CE2 3.43Å; K118-S180 VanDerWaalsContact N-CB 3.27Å; K118-S180 PolarHBondContact N-OG 2.99Å |
| 119 | T | 78.7 | Confident | 81.8 | Confident | 107 Ų | 107 | 74 Ų | 74 | 66% | 0.656 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -127.7 | -42.9 | -173.9 | -51.7 | 0 | 0 | 0 | 0 | 110 | D117 F121 | D117-T119 PolarHBondContact O-N 3.18Å; D117-T119 PolarHBondContact O-OG1 3.29Å; D117-T119 PolarHBondContact OD1-N 3.08Å; T119-F121 PolarHBondContact O-N 2.91Å |
| 120 | N | 82.3 | Confident | 82 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | trans | -99.6 | 91.6 | -179.6 | -64.3 | 99.2 | 0 | 0 | 0 | 109.6 | D117 S180 K181 | D117-N120 PolarHBondContact OD1-N 3.35Å; D117-N120 WeakPolarHBondContact OD2-CB 3.3Å; D117-N120 PolarHBondContact OD2-OD1 2.74Å; N120-S180 CarbonylContact O-C 3.57Å; N120-S180 WeakPolarHBondContact O-CA 2.94Å; N120-K181 HydrophobicContact CB-CB 3.94Å; N120-K181 PolarHBondContact O-N 2.86Å | ||
| 121 | F | 84.3 | Confident | 82.1 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 40% | 0.395 | 35% | 0.353 | S | S | . | . | trans | -97.6 | 136.5 | 171.8 | -60.1 | -88 | 0 | 0 | 0 | 109.8 | K118 T119 M179 | K118-F121 VanDerWaalsContact C-CE2 3.4Å; K118-F121 HydrophobicContact CB-CZ 4.46Å; K118-F121 WeakPolarHBondContact O-CE2 3.43Å; T119-F121 PolarHBondContact O-N 2.91Å; F121-M179 WeakPolarHBondContact CD1-O 3.16Å | ||
| 122 | P | 87.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.032 | 34% | 0.34 | C | S | . | . | trans | -72 | 142.3 | 178.8 | 31.7 | -33.3 | 0 | 0 | 0 | 111 | V128 V163 L176 L177 M179 L217 V220 | P122-V128 HydrophobicContact CB-CG1 3.39Å; P122-V128 HydrophobicContact CG-CG1 3.96Å; P122-V163 HydrophobicContact CB-CG1 4.02Å; P122-L176 WeakPolarHBondContact CG-O 3.48Å; P122-L177 VanDerWaalsContact O-CD2 3.3Å; P122-L177 WeakPolarHBondContact O-CD2 3.28Å; P122-M179 WeakPolarHBondContact CD-O 3.41Å; P122-L217 HydrophobicContact CG-CD2 4.39Å; P122-V220 HydrophobicContact CB-CG1 3.69Å; P122-V220 HydrophobicContact CB-CG2 3.99Å; P122-V220 HydrophobicContact CG-CG2 4.42Å | ||
| 123 | K | 84.8 | Confident | 82.6 | Confident | 150 Ų | 150 | 65.5 Ų | 65.5 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | trans | -105.3 | 159.6 | 176.1 | -60.4 | 175.8 | -176.4 | 174 | 0 | 110.2 | G125 D126 V163 | K123-G125 PolarHBondContact O-N 3.38Å; K123-G125 VanDerWaalsContact O-N 3.12Å; K123-D126 WeakPolarHBondContact CB-OD2 3.23Å; K123-D126 PolarHBondContact N-OD2 3.15Å; K123-D126 VanDerWaalsContact O-CB 3.26Å; K123-D126 WeakPolarHBondContact O-CB 3.47Å; K123-D126 PolarHBondContact O-N 2.78Å; K123-V163 WeakPolarHBondContact O-CG1 3.48Å | ||
| 124 | K | 85.1 | Confident | 83.1 | Confident | 151 Ų | 151 | 60.8 Ų | 60.8 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 120 | 174.2 | 173.7 | 160.5 | 175.3 | 159.7 | 0 | 110.6 | G164 L165 | K124-G164 VanDerWaalsContact CD-O 3.29Å; K124-G164 WeakPolarHBondContact CD-O 3.17Å; K124-G164 WeakPolarHBondContact CE-O 3.49Å; K124-G164 WeakPolarHBondContact CG-O 3.49Å; K124-G164 PolarHBondContact NZ-O 3.05Å; K124-L165 HydrophobicContact CG-CD2 4.39Å |
| 125 | G | 84 | Confident | 83.2 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | -18 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K123 V163 | K123-G125 PolarHBondContact O-N 3.38Å; K123-G125 VanDerWaalsContact O-N 3.12Å; G125-V163 PolarHBondContact N-O 2.85Å |
| 126 | D | 83.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 150.1 | 177.4 | -66.6 | -5.8 | 0 | 0 | 0 | 110.5 | K123 K162 V163 V220 D221 | K123-D126 WeakPolarHBondContact CB-OD2 3.23Å; K123-D126 PolarHBondContact N-OD2 3.15Å; K123-D126 VanDerWaalsContact O-CB 3.26Å; K123-D126 WeakPolarHBondContact O-CB 3.47Å; K123-D126 PolarHBondContact O-N 2.78Å; D126-K162 VanDerWaalsContact O-CA 3.26Å; D126-K162 WeakPolarHBondContact O-CA 3.37Å; D126-V163 PolarHBondContact O-N 3.34Å; D126-V220 HydrophobicContact CB-CG1 4.28Å; D126-D221 CarbonylContact C-O 3.6Å |
| 127 | T | 86.7 | Confident | 82.7 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.1 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 109 | F161 D221 | T127-F161 WeakPolarHBondContact CA-O 3.13Å; T127-D221 PolarHBondContact N-O 3.05Å; T127-D221 PolarHBondContact O-N 3.3Å |
| 128 | V | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.9 | 175.4 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | P122 S160 F161 V163 L217 S219 V220 | P122-V128 HydrophobicContact CB-CG1 3.39Å; P122-V128 HydrophobicContact CG-CG1 3.96Å; V128-S160 WeakPolarHBondContact O-CA 3.42Å; V128-F161 HydrophobicContact CG2-CD1 4.11Å; V128-F161 HydrophobicContact CG2-CD2 4.33Å; V128-F161 HydrophobicContact CG2-CE1 3.8Å; V128-F161 HydrophobicContact CG2-CE2 4.02Å; V128-F161 HydrophobicContact CG2-CG 4.39Å; V128-F161 HydrophobicContact CG2-CZ 3.78Å; V128-F161 WeakPolarHBondContact CG2-O 3.33Å; V128-F161 PolarHBondContact N-O 3.45Å; V128-F161 PolarHBondContact O-N 3Å; V128-V163 HydrophobicContact CG1-CB 4.38Å; V128-V163 HydrophobicContact CG1-CG1 4.19Å; V128-V163 HydrophobicContact CG2-CB 4.37Å; V128-L217 HydrophobicContact CB-CD1 3.89Å; V128-L217 HydrophobicContact CG1-CD1 4.23Å; V128-S219 WeakPolarHBondContact CA-O 3.4Å; V128-V220 HydrophobicContact CG1-CG2 4.32Å |
| 129 | S | 85.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.9 | 170.5 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | L159 S160 V218 S219 | S129-L159 CarbonylContact C-O 3.52Å; S129-L159 VanDerWaalsContact CA-O 3.31Å; S129-L159 WeakPolarHBondContact CA-O 3.44Å; S129-S160 PolarHBondContact OG-OG 3.34Å; S129-V218 WeakPolarHBondContact O-CA 3.45Å; S129-V218 WeakPolarHBondContact O-CB 3.41Å; S129-V218 PolarHBondContact O-N 2.72Å; S129-S219 WeakPolarHBondContact CB-OG 3.45Å; S129-S219 PolarHBondContact N-O 2.9Å; S129-S219 PolarHBondContact O-N 3.1Å; S129-S219 PolarHBondContact OG-OG 3.44Å |
| 130 | C | 84.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 152.8 | -176.8 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | N145 L159 V215 E216 L217 | C130-N145 PolarHBondContact O-ND2 2.83Å; C130-L159 PolarHBondContact N-O 3.28Å; C130-L159 PolarHBondContact O-N 2.78Å; C130-V215 HydrophobicContact CB-CG1 3.85Å; C130-E216 CarbonylContact C-O 3.58Å; C130-E216 WeakPolarHBondContact CA-O 3.31Å; C130-E216 VanDerWaalsContact CB-O 3.24Å; C130-E216 WeakPolarHBondContact CB-O 3.43Å; C130-L217 HydrophobicContact CB-CD1 4.36Å |
| 131 | W | 85.7 | Confident | 81.2 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.4 | 163.7 | -62.8 | 112 | 0 | 0 | 0 | 109.7 | N145 I146 T156 K157 P158 V215 E216 V218 | W131-N145 VanDerWaalsContact CA-OD1 3.31Å; W131-N145 WeakPolarHBondContact CA-OD1 3.38Å; W131-N145 WeakPolarHBondContact CZ3-O 3.48Å; W131-I146 HydrophobicContact CB-CD1 4.34Å; W131-I146 HydrophobicContact CB-CG1 4.06Å; W131-T156 HydrophobicContact CH2-CG2 3.75Å; W131-T156 WeakPolarHBondContact CH2-O 3.21Å; W131-T156 HydrophobicContact CZ3-CG2 3.74Å; W131-K157 WeakPolarHBondContact CH2-O 3.5Å; W131-K157 WeakPolarHBondContact CZ3-O 3.37Å; W131-P158 HydrophobicContact CD2-CB 4.18Å; W131-P158 HydrophobicContact CH2-CB 4.31Å; W131-P158 VanDerWaalsContact CH2-N 3.29Å; W131-P158 HydrophobicContact CZ2-CB 3.97Å; W131-P158 HydrophobicContact CZ2-CG 4.39Å; W131-V215 CarbonylContact O-C 3.55Å; W131-V215 VanDerWaalsContact O-CA 3.31Å; W131-V215 WeakPolarHBondContact O-CA 3.3Å; W131-E216 HydrophobicContact CB-CB 4.29Å; W131-E216 VanDerWaalsContact CD1-OE1 3.32Å; W131-E216 PolarHBondContact N-O 3.07Å; W131-E216 PolarHBondContact O-N 3.45Å; W131-V218 HydrophobicContact CG-CG2 4.33Å |
| 132 | Y | 84.3 | Confident | 80.8 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 155.2 | 175.4 | 72.9 | -85.7 | 0 | 0 | 0 | 113.7 | D143 T144 N145 L159 W172 F213 E214 | Y132-D143 HydrophobicContact CE2-CB 4.19Å; Y132-D143 WeakPolarHBondContact CE2-OD1 3.47Å; Y132-D143 PolarHBondContact OH-OD1 2.93Å; Y132-T144 WeakPolarHBondContact O-CA 3.5Å; Y132-T144 PolarHBondContact O-OG1 3.05Å; Y132-N145 HydrophobicContact CD1-CB 4.19Å; Y132-N145 VanDerWaalsContact CD1-CG 3.43Å; Y132-N145 VanDerWaalsContact CD1-ND2 3.32Å; Y132-N145 WeakPolarHBondContact CD1-ND2 3.35Å; Y132-N145 HydrophobicContact CE1-CB 3.75Å; Y132-N145 VanDerWaalsContact CE1-CG 3.48Å; Y132-N145 WeakPolarHBondContact CE1-ND2 3.13Å; Y132-N145 PolarHBondContact N-OD1 3.23Å; Y132-N145 PolarHBondContact O-N 3.26Å; Y132-N145 VanDerWaalsContact O-N 3.09Å; Y132-N145 PolarHBondContact O-OD1 3.49Å; Y132-L159 HydrophobicContact CD1-CD2 4.23Å; Y132-L159 HydrophobicContact CE1-CB 4.17Å; Y132-L159 HydrophobicContact CE1-CD2 3.57Å; Y132-L159 HydrophobicContact CE1-CG 4.48Å; Y132-W172 AromaticContact CD1-CH2 3.63Å; Y132-W172 HydrophobicContact CD1-CH2 3.63Å; Y132-W172 HydrophobicContact CD1-CZ2 4.44Å; Y132-W172 HydrophobicContact CD1-CZ3 4.47Å; Y132-W172 HydrophobicContact CD2-CH2 4.01Å; Y132-W172 HydrophobicContact CD2-CZ2 4.01Å; Y132-W172 HydrophobicContact CE1-CH2 4.36Å; Y132-W172 AromaticContact CG-CH2 3.43Å; Y132-W172 HydrophobicContact CG-CH2 3.43Å; Y132-W172 VanDerWaalsContact CG-CH2 3.43Å; Y132-W172 AromaticContact CG-CZ2 3.84Å; Y132-W172 HydrophobicContact CG-CZ2 3.84Å; Y132-F213 HydrophobicContact CD2-CD1 4.15Å; Y132-F213 HydrophobicContact CD2-CE1 4.39Å; Y132-E214 CarbonylContact C-O 3.33Å; Y132-E214 WeakPolarHBondContact CA-O 3.22Å |
| 133 | T | 82.1 | Confident | 80.3 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 118.6 | 165.2 | -62.9 | 0 | 0 | 0 | 0 | 107.7 | V141 T144 I146 F213 E214 | T133-V141 HydrophobicContact CG2-CG1 3.81Å; T133-V141 HydrophobicContact CG2-CG2 3.95Å; T133-T144 PolarHBondContact OG1-OG1 3.23Å; T133-I146 WeakPolarHBondContact OG1-CD1 3.44Å; T133-F213 VanDerWaalsContact O-CA 3.32Å; T133-F213 WeakPolarHBondContact O-CA 3.49Å; T133-E214 PolarHBondContact N-O 3.18Å; T133-E214 PolarHBondContact O-N 3.25Å |
| 134 | G | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V141 F142 D143 I212 | G134-V141 CarbonylContact O-C 3.52Å; G134-V141 WeakPolarHBondContact O-CA 3.35Å; G134-F142 WeakPolarHBondContact O-CD1 3.12Å; G134-F142 PolarHBondContact O-N 3.12Å; G134-D143 WeakPolarHBondContact CA-O 3.09Å; G134-D143 PolarHBondContact N-O 2.85Å; G134-D143 PolarHBondContact O-N 3.05Å; G134-I212 CarbonylContact C-O 3.51Å; G134-I212 WeakPolarHBondContact CA-O 3.21Å |
| 135 | S | 76.1 | Confident | 79.7 | Confident | 22 Ų | 22 | 39 Ų | 39 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150 | 172.9 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | T140 F142 I212 | S135-T140 CarbonylContact C-O 3.59Å; S135-T140 WeakPolarHBondContact CA-O 3.45Å; S135-F142 WeakPolarHBondContact O-CE1 3.47Å; S135-I212 PolarHBondContact N-O 3.35Å; S135-I212 WeakPolarHBondContact O-CA 3.47Å; S135-I212 WeakPolarHBondContact O-CB 3.32Å; S135-I212 PolarHBondContact O-N 3.3Å; S135-I212 VanDerWaalsContact O-O 3.05Å |
| 136 | L | 78.8 | Confident | 79.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 170.3 | 167.8 | -62.1 | -179.3 | 0 | 0 | 0 | 109.2 | D138 G139 T140 F142 I205 P206 A209 L211 | L136-D138 WeakPolarHBondContact CB-OD1 3.05Å; L136-D138 PolarHBondContact O-N 3.4Å; L136-D138 VanDerWaalsContact O-N 3.15Å; L136-G139 WeakPolarHBondContact O-CA 3.41Å; L136-G139 PolarHBondContact O-N 3Å; L136-T140 PolarHBondContact N-O 3.3Å; L136-F142 HydrophobicContact CD2-CD1 3.8Å; L136-F142 HydrophobicContact CD2-CE1 4.11Å; L136-F142 HydrophobicContact CG-CD1 3.88Å; L136-I205 HydrophobicContact CD2-CG1 4.37Å; L136-I205 HydrophobicContact CD2-CG2 4.16Å; L136-P206 HydrophobicContact CD1-CG 4.44Å; L136-A209 HydrophobicContact CD2-CB 4.06Å; L136-L211 HydrophobicContact CD2-CD2 3.71Å |
| 137 | E | 72.7 | Confident | 78.6 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.5 | 178.2 | -65.3 | -175.6 | 92.1 | 0 | 0 | 113.9 | G139 K210 I212 | E137-G139 PolarHBondContact O-N 2.61Å; E137-K210 HydrophobicContact CG-CB 3.88Å; E137-K210 HydrophobicContact CG-CD 4.17Å; E137-K210 HydrophobicContact CG-CG 4.3Å; E137-K210 WeakPolarHBondContact OE2-CB 3.48Å; E137-I212 HydrophobicContact CG-CD1 4.29Å |
| 138 | D | 70.3 | Confident | 77.2 | Confident | 95 Ų | 95 | 42.4 Ų | 42.4 | 51% | 0.508 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1 | 173.3 | 70.8 | -11.5 | 0 | 0 | 0 | 112.9 | L136 T140 | L136-D138 WeakPolarHBondContact CB-OD1 3.05Å; L136-D138 PolarHBondContact O-N 3.4Å; L136-D138 VanDerWaalsContact O-N 3.15Å; D138-T140 PolarHBondContact O-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CA 3.48Å; D138-T140 WeakPolarHBondContact OD1-CB 3.3Å; D138-T140 PolarHBondContact OD1-N 3.42Å; D138-T140 PolarHBondContact OD1-OG1 3.28Å; D138-T140 VanDerWaalsContact OD1-OG1 3.1Å; D138-T140 WeakPolarHBondContact OD2-CB 3.44Å; D138-T140 PolarHBondContact OD2-OG1 2.86Å |
| 139 | G | 68.5 | Low | 75.6 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | trans | 80 | -0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L136 E137 V141 | L136-G139 WeakPolarHBondContact O-CA 3.41Å; L136-G139 PolarHBondContact O-N 3Å; E137-G139 PolarHBondContact O-N 2.61Å; G139-V141 PolarHBondContact O-N 3.46Å | ||
| 140 | T | 73.4 | Confident | 73.9 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | trans | -62 | 110.6 | 174 | -64.9 | 0 | 0 | 0 | 0 | 108.6 | S135 L136 D138 F142 | S135-T140 CarbonylContact C-O 3.59Å; S135-T140 WeakPolarHBondContact CA-O 3.45Å; L136-T140 PolarHBondContact N-O 3.3Å; D138-T140 PolarHBondContact O-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CA 3.48Å; D138-T140 WeakPolarHBondContact OD1-CB 3.3Å; D138-T140 PolarHBondContact OD1-N 3.42Å; D138-T140 PolarHBondContact OD1-OG1 3.28Å; D138-T140 VanDerWaalsContact OD1-OG1 3.1Å; D138-T140 WeakPolarHBondContact OD2-CB 3.44Å; D138-T140 PolarHBondContact OD2-OG1 2.86Å; T140-F142 PolarHBondContact O-N 3.36Å | ||
| 141 | V | 75.8 | Confident | 72.4 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 47% | 0.473 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 111.8 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 108 | T133 G134 G139 T144 | T133-V141 HydrophobicContact CG2-CG1 3.81Å; T133-V141 HydrophobicContact CG2-CG2 3.95Å; G134-V141 CarbonylContact O-C 3.52Å; G134-V141 WeakPolarHBondContact O-CA 3.35Å; G139-V141 PolarHBondContact O-N 3.46Å; V141-T144 HydrophobicContact CG1-CG2 4.25Å |
| 142 | F | 76.1 | Confident | 70.8 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -25.7 | 176.6 | 62.3 | -96.6 | 0 | 0 | 0 | 111.6 | G134 S135 L136 T140 I205 L211 F213 | G134-F142 WeakPolarHBondContact O-CD1 3.12Å; G134-F142 PolarHBondContact O-N 3.12Å; S135-F142 WeakPolarHBondContact O-CE1 3.47Å; L136-F142 HydrophobicContact CD2-CD1 3.8Å; L136-F142 HydrophobicContact CD2-CE1 4.11Å; L136-F142 HydrophobicContact CG-CD1 3.88Å; T140-F142 PolarHBondContact O-N 3.36Å; F142-I205 HydrophobicContact CB-CG1 4.24Å; F142-I205 HydrophobicContact CD2-CD1 3.66Å; F142-I205 HydrophobicContact CD2-CG1 4.11Å; F142-I205 HydrophobicContact CE2-CD1 3.86Å; F142-I205 HydrophobicContact CG-CD1 4.1Å; F142-I205 HydrophobicContact CG-CG1 4.05Å; F142-I205 HydrophobicContact CZ-CD1 4.41Å; F142-L211 HydrophobicContact CE1-CB 4.44Å; F142-L211 HydrophobicContact CE1-CD2 3.79Å; F142-L211 HydrophobicContact CZ-CB 4.31Å; F142-L211 HydrophobicContact CZ-CD1 4.1Å; F142-L211 HydrophobicContact CZ-CD2 3.94Å; F142-L211 HydrophobicContact CZ-CG 4.35Å; F142-F213 AromaticContact CE2-CE1 3.93Å; F142-F213 HydrophobicContact CE2-CE1 3.93Å; F142-F213 AromaticContact CE2-CZ 3.94Å; F142-F213 HydrophobicContact CE2-CZ 3.94Å; F142-F213 HydrophobicContact CZ-CD1 4.47Å; F142-F213 AromaticContact CZ-CE1 3.6Å; F142-F213 HydrophobicContact CZ-CE1 3.6Å; F142-F213 HydrophobicContact CZ-CE2 4.19Å; F142-F213 AromaticContact CZ-CZ 3.46Å; F142-F213 HydrophobicContact CZ-CZ 3.46Å; F142-F213 VanDerWaalsContact CZ-CZ 3.46Å |
| 143 | D | 76.6 | Confident | 69.3 | Low | 62 Ų | 62 | 66.7 Ų | 66.7 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 141.1 | 179.8 | -156.6 | -74.6 | 0 | 0 | 0 | 111.1 | Y132 G134 | Y132-D143 HydrophobicContact CE2-CB 4.19Å; Y132-D143 WeakPolarHBondContact CE2-OD1 3.47Å; Y132-D143 PolarHBondContact OH-OD1 2.93Å; G134-D143 WeakPolarHBondContact CA-O 3.09Å; G134-D143 PolarHBondContact N-O 2.85Å; G134-D143 PolarHBondContact O-N 3.05Å |
| 144 | T | 81.5 | Confident | 67.9 | Low | 66 Ų | 66 | 74.9 Ų | 74.9 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 135.8 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | Y132 T133 V141 I146 | Y132-T144 WeakPolarHBondContact O-CA 3.5Å; Y132-T144 PolarHBondContact O-OG1 3.05Å; T133-T144 PolarHBondContact OG1-OG1 3.23Å; V141-T144 HydrophobicContact CG1-CG2 4.25Å; T144-I146 PolarHBondContact OG1-N 3.13Å; T144-I146 VanDerWaalsContact OG1-N 3.17Å |
| 145 | N | 77.7 | Confident | 66.9 | Low | 28 Ų | 28 | 83.3 Ų | 83.3 | 15% | 0.15 | 46% | 0.462 | C | S | . | . | trans | -99.1 | 2.3 | 170 | 75.4 | -5.9 | 0 | 0 | 0 | 112 | C130 W131 Y132 P147 L159 | C130-N145 PolarHBondContact O-ND2 2.83Å; W131-N145 VanDerWaalsContact CA-OD1 3.31Å; W131-N145 WeakPolarHBondContact CA-OD1 3.38Å; W131-N145 WeakPolarHBondContact CZ3-O 3.48Å; Y132-N145 HydrophobicContact CD1-CB 4.19Å; Y132-N145 VanDerWaalsContact CD1-CG 3.43Å; Y132-N145 VanDerWaalsContact CD1-ND2 3.32Å; Y132-N145 WeakPolarHBondContact CD1-ND2 3.35Å; Y132-N145 HydrophobicContact CE1-CB 3.75Å; Y132-N145 VanDerWaalsContact CE1-CG 3.48Å; Y132-N145 WeakPolarHBondContact CE1-ND2 3.13Å; Y132-N145 PolarHBondContact N-OD1 3.23Å; Y132-N145 PolarHBondContact O-N 3.26Å; Y132-N145 VanDerWaalsContact O-N 3.09Å; Y132-N145 PolarHBondContact O-OD1 3.49Å; N145-P147 WeakPolarHBondContact O-CD 3.17Å; N145-L159 VanDerWaalsContact ND2-CB 3.29Å; N145-L159 WeakPolarHBondContact ND2-CB 3.08Å; N145-L159 PolarHBondContact ND2-N 3.42Å | ||
| 146 | I | 74.1 | Confident | 66.6 | Low | 76 Ų | 76 | 85 Ų | 85 | 39% | 0.39 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -81.5 | 119.9 | -179.1 | -55.7 | -176.2 | 0 | 0 | 0 | 109.3 | W131 T133 T144 | W131-I146 HydrophobicContact CB-CD1 4.34Å; W131-I146 HydrophobicContact CB-CG1 4.06Å; T133-I146 WeakPolarHBondContact OG1-CD1 3.44Å; T144-I146 PolarHBondContact OG1-N 3.13Å; T144-I146 VanDerWaalsContact OG1-N 3.17Å |
| 147 | P | 68.4 | Low | 66.6 | Low | 24 Ų | 24 | 93 Ų | 93 | 16% | 0.156 | 51% | 0.505 | C | S | . | . | trans | -72.3 | 136.3 | -177.9 | 27.2 | -33 | 0 | 0 | 0 | 112.1 | N145 G149 K152 K153 T156 | N145-P147 WeakPolarHBondContact O-CD 3.17Å; P147-G149 PolarHBondContact O-N 2.75Å; P147-K152 HydrophobicContact CB-CB 3.84Å; P147-K153 HydrophobicContact CG-CB 4.01Å; P147-K153 HydrophobicContact CG-CG 4.25Å; P147-T156 HydrophobicContact CB-CG2 4.43Å; P147-T156 WeakPolarHBondContact CB-OG1 3.4Å; P147-T156 HydrophobicContact CG-CG2 4.23Å | ||
| 148 | A | 57.7 | Low | 67.1 | Low | 91 Ų | 91 | 90 Ų | 90 | 75% | 0.752 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -68.7 | 102.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 149 | G | 53.9 | Low | 67.7 | Low | 47 Ų | 47 | 88.7 Ų | 88.7 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 110.6 | 138.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | P147 K151 K152 K153 | P147-G149 PolarHBondContact O-N 2.75Å; G149-K151 PolarHBondContact O-N 3.42Å; G149-K151 VanDerWaalsContact O-N 3.14Å; G149-K152 PolarHBondContact O-N 2.99Å; G149-K153 PolarHBondContact O-N 3.36Å |
| 150 | A | 51.1 | Low | 68.5 | Low | 89 Ų | 89 | 89.6 Ų | 89.6 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 151 | K | 51.7 | Low | 69 | Low | 197 Ų | 197 | 87.6 Ų | 87.6 | 86% | 0.857 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -32.6 | 176.7 | -68.4 | -175.1 | -178.7 | 177.6 | 0 | 112.8 | G149 | G149-K151 PolarHBondContact O-N 3.42Å; G149-K151 VanDerWaalsContact O-N 3.14Å |
| 152 | K | 53.4 | Low | 69.3 | Low | 132 Ų | 132 | 89.1 Ų | 89.1 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -78.7 | -27.3 | 177.6 | -68.7 | -173.6 | -178 | 174.7 | 0 | 112.2 | P147 G149 K154 Q155 T156 | P147-K152 HydrophobicContact CB-CB 3.84Å; G149-K152 PolarHBondContact O-N 2.99Å; K152-K154 PolarHBondContact O-N 2.91Å; K152-K154 VanDerWaalsContact O-N 3.11Å; K152-Q155 PolarHBondContact O-N 3.26Å; K152-T156 PolarHBondContact O-N 3.08Å; K152-T156 PolarHBondContact O-OG1 3.39Å; K152-T156 VanDerWaalsContact O-OG1 3.1Å |
| 153 | K | 51.6 | Low | 69.6 | Low | 108 Ų | 108 | 87.5 Ų | 87.5 | 47% | 0.47 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -56.7 | -25.3 | 175.5 | -160.5 | 174.3 | -178.4 | 176.3 | 0 | 114.5 | P147 G149 | P147-K153 HydrophobicContact CG-CB 4.01Å; P147-K153 HydrophobicContact CG-CG 4.25Å; G149-K153 PolarHBondContact O-N 3.36Å |
| 154 | K | 54.5 | Low | 69.7 | Low | 198 Ų | 198 | 84.9 Ų | 84.9 | 86% | 0.861 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -81.6 | -19.1 | 176 | -74.3 | -171.6 | 176.5 | -176.2 | 0 | 114.6 | K152 | K152-K154 PolarHBondContact O-N 2.91Å; K152-K154 VanDerWaalsContact O-N 3.11Å |
| 155 | Q | 60.7 | Low | 69.6 | Low | 176 Ų | 176 | 85.8 Ų | 85.8 | 82% | 0.822 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -20.4 | -179.2 | -71.9 | -171.7 | -23.3 | 0 | 0 | 113 | K152 | K152-Q155 PolarHBondContact O-N 3.26Š|
| 156 | T | 70.4 | Confident | 69.5 | Low | 57 Ų | 57 | 87.3 Ų | 87.3 | 35% | 0.35 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -81 | 137.5 | 174.7 | -49.4 | 0 | 0 | 0 | 0 | 110.2 | W131 P147 K152 | W131-T156 HydrophobicContact CH2-CG2 3.75Å; W131-T156 WeakPolarHBondContact CH2-O 3.21Å; W131-T156 HydrophobicContact CZ3-CG2 3.74Å; P147-T156 HydrophobicContact CB-CG2 4.43Å; P147-T156 WeakPolarHBondContact CB-OG1 3.4Å; P147-T156 HydrophobicContact CG-CG2 4.23Å; K152-T156 PolarHBondContact O-N 3.08Å; K152-T156 PolarHBondContact O-OG1 3.39Å; K152-T156 VanDerWaalsContact O-OG1 3.1Å |
| 157 | K | 78.6 | Confident | 69.5 | Low | 183 Ų | 183 | 91 Ų | 91 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 142.3 | 174.4 | -65.8 | -178.4 | -179.7 | 179.6 | 0 | 110.1 | W131 | W131-K157 WeakPolarHBondContact CH2-O 3.5Å; W131-K157 WeakPolarHBondContact CZ3-O 3.37Å |
| 158 | P | 82.7 | Confident | 70 | Confident | 35 Ų | 35 | 91.7 Ų | 91.7 | 23% | 0.227 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 156.2 | 172.3 | 26.1 | -33.3 | 0 | 0 | 0 | 110.4 | W131 S160 V218 | W131-P158 HydrophobicContact CD2-CB 4.18Å; W131-P158 HydrophobicContact CH2-CB 4.31Å; W131-P158 VanDerWaalsContact CH2-N 3.29Å; W131-P158 HydrophobicContact CZ2-CB 3.97Å; W131-P158 HydrophobicContact CZ2-CG 4.39Å; P158-S160 PolarHBondContact O-N 3.49Å; P158-V218 HydrophobicContact CB-CG2 4.4Å |
| 159 | L | 83.1 | Confident | 71.1 | Confident | 67 Ų | 67 | 88.6 Ų | 88.6 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.9 | 173 | 175.2 | 67.7 | 0 | 0 | 0 | 108.1 | S129 C130 Y132 N145 F161 | S129-L159 CarbonylContact C-O 3.52Å; S129-L159 VanDerWaalsContact CA-O 3.31Å; S129-L159 WeakPolarHBondContact CA-O 3.44Å; C130-L159 PolarHBondContact N-O 3.28Å; C130-L159 PolarHBondContact O-N 2.78Å; Y132-L159 HydrophobicContact CD1-CD2 4.23Å; Y132-L159 HydrophobicContact CE1-CB 4.17Å; Y132-L159 HydrophobicContact CE1-CD2 3.57Å; Y132-L159 HydrophobicContact CE1-CG 4.48Å; N145-L159 VanDerWaalsContact ND2-CB 3.29Å; N145-L159 WeakPolarHBondContact ND2-CB 3.08Å; N145-L159 PolarHBondContact ND2-N 3.42Å; L159-F161 HydrophobicContact CD2-CD1 4.14Å; L159-F161 HydrophobicContact CD2-CE1 4.3Å; L159-F161 HydrophobicContact CG-CD1 4.1Å |
| 160 | S | 85.8 | Confident | 72.5 | Confident | 67 Ų | 67 | 92.5 Ų | 92.5 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | V128 S129 P158 | V128-S160 WeakPolarHBondContact O-CA 3.42Å; S129-S160 PolarHBondContact OG-OG 3.34Å; P158-S160 PolarHBondContact O-N 3.49Å |
| 161 | F | 83.3 | Confident | 73.9 | Confident | 25 Ų | 25 | 88.2 Ų | 88.2 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.9 | 177.4 | 67.7 | -82.8 | 0 | 0 | 0 | 111.5 | T127 V128 L159 K167 V168 W172 L176 | T127-F161 WeakPolarHBondContact CA-O 3.13Å; V128-F161 HydrophobicContact CG2-CD1 4.11Å; V128-F161 HydrophobicContact CG2-CD2 4.33Å; V128-F161 HydrophobicContact CG2-CE1 3.8Å; V128-F161 HydrophobicContact CG2-CE2 4.02Å; V128-F161 HydrophobicContact CG2-CG 4.39Å; V128-F161 HydrophobicContact CG2-CZ 3.78Å; V128-F161 WeakPolarHBondContact CG2-O 3.33Å; V128-F161 PolarHBondContact N-O 3.45Å; V128-F161 PolarHBondContact O-N 3Å; L159-F161 HydrophobicContact CD2-CD1 4.14Å; L159-F161 HydrophobicContact CD2-CE1 4.3Å; L159-F161 HydrophobicContact CG-CD1 4.1Å; F161-K167 HydrophobicContact CD2-CB 4.43Å; F161-V168 HydrophobicContact CD2-CG1 3.83Å; F161-V168 HydrophobicContact CD2-CG2 4.43Å; F161-V168 HydrophobicContact CE1-CG1 4.28Å; F161-V168 HydrophobicContact CE2-CB 4.26Å; F161-V168 HydrophobicContact CE2-CG1 3.55Å; F161-V168 HydrophobicContact CE2-CG2 3.64Å; F161-V168 HydrophobicContact CG-CG1 4.3Å; F161-V168 HydrophobicContact CZ-CG1 3.76Å; F161-V168 HydrophobicContact CZ-CG2 4.13Å; F161-W172 HydrophobicContact CE1-CE3 4.36Å; F161-W172 HydrophobicContact CE1-CZ3 4.12Å; F161-W172 AromaticContact CZ-CE3 3.97Å; F161-W172 HydrophobicContact CZ-CE3 3.97Å; F161-W172 HydrophobicContact CZ-CZ3 4.19Å; F161-L176 HydrophobicContact CE1-CD1 4.3Å; F161-L176 HydrophobicContact CE2-CD1 4.23Å; F161-L176 HydrophobicContact CZ-CD1 3.42Å; F161-L176 VanDerWaalsContact CZ-CD1 3.42Å |
| 162 | K | 83 | Confident | 75.5 | Confident | 109 Ų | 109 | 79.3 Ų | 79.3 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.3 | 176.6 | -65.7 | -170.4 | 175.8 | -163.6 | 0 | 111.6 | D126 L165 | D126-K162 VanDerWaalsContact O-CA 3.26Å; D126-K162 WeakPolarHBondContact O-CA 3.37Å; K162-L165 HydrophobicContact CB-CD1 3.78Å; K162-L165 HydrophobicContact CD-CD1 3.98Å |
| 163 | V | 82.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 153.3 | 179.9 | 72.3 | 0 | 0 | 0 | 0 | 111.6 | P122 K123 G125 D126 V128 L165 L176 L177 | P122-V163 HydrophobicContact CB-CG1 4.02Å; K123-V163 WeakPolarHBondContact O-CG1 3.48Å; G125-V163 PolarHBondContact N-O 2.85Å; D126-V163 PolarHBondContact O-N 3.34Å; V128-V163 HydrophobicContact CG1-CB 4.38Å; V128-V163 HydrophobicContact CG1-CG1 4.19Å; V128-V163 HydrophobicContact CG2-CB 4.37Å; V163-L165 VanDerWaalsContact C-N 3.3Å; V163-L165 PolarHBondContact O-N 3.4Å; V163-L176 HydrophobicContact CG2-CB 4.1Å; V163-L177 HydrophobicContact CG1-CD2 3.84Å; V163-L177 HydrophobicContact CG2-CD2 3.98Å; V163-L177 HydrophobicContact CG2-CG 3.98Å |
| 164 | G | 77.1 | Confident | 78.3 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 7% | 0.072 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 4.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | K124 D173 | K124-G164 VanDerWaalsContact CD-O 3.29Å; K124-G164 WeakPolarHBondContact CD-O 3.17Å; K124-G164 WeakPolarHBondContact CE-O 3.49Å; K124-G164 WeakPolarHBondContact CG-O 3.49Å; K124-G164 PolarHBondContact NZ-O 3.05Å; G164-D173 WeakPolarHBondContact CA-OD1 3.46Å; G164-D173 PolarHBondContact N-OD1 3.46Å; G164-D173 VanDerWaalsContact N-OD1 3.16Å; G164-D173 PolarHBondContact N-OD2 2.97Å |
| 165 | L | 80 | Confident | 79.8 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 45% | 0.45 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -117.9 | 10.7 | -172.2 | -61 | -175.5 | 0 | 0 | 0 | 113.4 | K124 K162 V163 K167 D173 | K124-L165 HydrophobicContact CG-CD2 4.39Å; K162-L165 HydrophobicContact CB-CD1 3.78Å; K162-L165 HydrophobicContact CD-CD1 3.98Å; V163-L165 VanDerWaalsContact C-N 3.3Å; V163-L165 PolarHBondContact O-N 3.4Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 HydrophobicContact CB-CG 4.38Å; L165-K167 PolarHBondContact O-N 3.26Å; L165-D173 PolarHBondContact N-OD1 3.37Å |
| 166 | G | 75.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 66.3 | 27.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V168 | G166-V168 VanDerWaalsContact C-N 3.27Š|
| 167 | K | 74.3 | Confident | 81.8 | Confident | 155 Ų | 155 | 54.4 Ų | 54.4 | 67% | 0.674 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -76.7 | -17.7 | 174.1 | -67.7 | -59.7 | -174.2 | -175.5 | 0 | 112.9 | F161 L165 | F161-K167 HydrophobicContact CD2-CB 4.43Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 HydrophobicContact CB-CG 4.38Å; L165-K167 PolarHBondContact O-N 3.26Å |
| 168 | V | 79 | Confident | 81.9 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -130.1 | 172 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 109.3 | F161 G166 W172 D173 | F161-V168 HydrophobicContact CD2-CG1 3.83Å; F161-V168 HydrophobicContact CD2-CG2 4.43Å; F161-V168 HydrophobicContact CE1-CG1 4.28Å; F161-V168 HydrophobicContact CE2-CB 4.26Å; F161-V168 HydrophobicContact CE2-CG1 3.55Å; F161-V168 HydrophobicContact CE2-CG2 3.64Å; F161-V168 HydrophobicContact CG-CG1 4.3Å; F161-V168 HydrophobicContact CZ-CG1 3.76Å; F161-V168 HydrophobicContact CZ-CG2 4.13Å; G166-V168 VanDerWaalsContact C-N 3.27Å; V168-W172 HydrophobicContact CB-CB 4.04Å; V168-W172 HydrophobicContact CG1-CE3 4.42Å; V168-W172 HydrophobicContact CG2-CB 3.65Å; V168-D173 HydrophobicContact CG2-CB 4.15Å |
| 169 | I | 82.1 | Confident | 81.9 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | trans | -57.3 | 147.9 | 176 | 61.8 | 173.8 | 0 | 0 | 0 | 111.1 | G171 W172 D173 I189 A194 Y195 L211 F213 | I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.33Å; I169-W172 HydrophobicContact CD1-CG 4.49Å; I169-W172 HydrophobicContact CG1-CB 3.89Å; I169-W172 HydrophobicContact CG1-CG 3.97Å; I169-W172 WeakPolarHBondContact O-CB 3.49Å; I169-W172 PolarHBondContact O-N 3.43Å; I169-D173 PolarHBondContact O-N 2.75Å; I169-D173 VanDerWaalsContact O-N 3.13Å; I169-I189 HydrophobicContact CD1-CD1 3.8Å; I169-I189 HydrophobicContact CD1-CG2 4.33Å; I169-I189 HydrophobicContact CG1-CD1 4.4Å; I169-A194 HydrophobicContact CD1-CB 3.87Å; I169-Y195 HydrophobicContact CG2-CE1 4.11Å; I169-L211 HydrophobicContact CD1-CD1 4.18Å; I169-F213 HydrophobicContact CD1-CE2 3.93Å; I169-F213 HydrophobicContact CD1-CZ 4.33Å | ||
| 170 | R | 81.8 | Confident | 81.9 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.6 | -41 | -173.2 | -176.3 | 176.2 | 177.3 | 176.1 | -1.6 | 112.8 | W172 D173 E174 W193 | R170-W172 VanDerWaalsContact C-N 3.27Å; R170-W172 PolarHBondContact O-N 3.33Å; R170-D173 PolarHBondContact O-N 3.48Å; R170-E174 PolarHBondContact O-N 2.87Å; R170-E174 VanDerWaalsContact O-N 3.1Å; R170-W193 HydrophobicContact CB-CB 4.35Å; R170-W193 HydrophobicContact CB-CD2 4.47Å; R170-W193 HydrophobicContact CB-CG 4.38Å; R170-W193 HydrophobicContact CG-CD2 3.99Å; R170-W193 HydrophobicContact CG-CE3 3.95Å; R170-W193 HydrophobicContact CG-CG 4.35Å; R170-W193 HydrophobicContact CG-CZ3 4.35Å; R170-W193 PolarHBondContact N-O 3.11Å |
| 171 | G | 81.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -32.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I169 A175 W193 | I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.33Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 2.96Å; G171-A175 VanDerWaalsContact O-N 3.09Å; G171-W193 PolarHBondContact N-O 3.39Å |
| 172 | W | 84.8 | Confident | 81.7 | Confident | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -45.9 | 174 | -97.3 | 60.5 | 0 | 0 | 0 | 111.8 | Y132 F161 V168 I169 R170 E174 A175 L176 I189 F213 V215 | Y132-W172 AromaticContact CD1-CH2 3.63Å; Y132-W172 HydrophobicContact CD1-CH2 3.63Å; Y132-W172 HydrophobicContact CD1-CZ2 4.44Å; Y132-W172 HydrophobicContact CD1-CZ3 4.47Å; Y132-W172 HydrophobicContact CD2-CH2 4.01Å; Y132-W172 HydrophobicContact CD2-CZ2 4.01Å; Y132-W172 HydrophobicContact CE1-CH2 4.36Å; Y132-W172 AromaticContact CG-CH2 3.43Å; Y132-W172 HydrophobicContact CG-CH2 3.43Å; Y132-W172 VanDerWaalsContact CG-CH2 3.43Å; Y132-W172 AromaticContact CG-CZ2 3.84Å; Y132-W172 HydrophobicContact CG-CZ2 3.84Å; F161-W172 HydrophobicContact CE1-CE3 4.36Å; F161-W172 HydrophobicContact CE1-CZ3 4.12Å; F161-W172 AromaticContact CZ-CE3 3.97Å; F161-W172 HydrophobicContact CZ-CE3 3.97Å; F161-W172 HydrophobicContact CZ-CZ3 4.19Å; V168-W172 HydrophobicContact CB-CB 4.04Å; V168-W172 HydrophobicContact CG1-CE3 4.42Å; V168-W172 HydrophobicContact CG2-CB 3.65Å; I169-W172 HydrophobicContact CD1-CG 4.49Å; I169-W172 HydrophobicContact CG1-CB 3.89Å; I169-W172 HydrophobicContact CG1-CG 3.97Å; I169-W172 WeakPolarHBondContact O-CB 3.49Å; I169-W172 PolarHBondContact O-N 3.43Å; R170-W172 VanDerWaalsContact C-N 3.27Å; R170-W172 PolarHBondContact O-N 3.33Å; W172-E174 VanDerWaalsContact C-N 3.32Å; W172-E174 PolarHBondContact O-N 2.96Å; W172-A175 PolarHBondContact O-N 3.31Å; W172-L176 HydrophobicContact CD2-CD1 4.37Å; W172-L176 HydrophobicContact CE3-CD1 3.6Å; W172-L176 HydrophobicContact CZ3-CD1 4.15Å; W172-L176 VanDerWaalsContact O-CB 3.31Å; W172-L176 WeakPolarHBondContact O-CB 3.41Å; W172-L176 WeakPolarHBondContact O-CG 3.13Å; W172-L176 PolarHBondContact O-N 2.75Å; W172-I189 HydrophobicContact CG-CD1 4.31Å; W172-F213 AromaticContact CD1-CD2 3.95Å; W172-F213 AromaticContact CD1-CE2 3.97Å; W172-F213 AromaticContact CE2-CD1 3.8Å; W172-F213 AromaticContact CE2-CG 3.8Å; W172-F213 HydrophobicContact CZ2-CB 4.05Å; W172-F213 AromaticContact CZ2-CD1 3.49Å; W172-F213 HydrophobicContact CZ2-CD1 3.49Å; W172-F213 VanDerWaalsContact CZ2-CD1 3.49Å; W172-F213 AromaticContact CZ2-CE1 3.96Å; W172-F213 HydrophobicContact CZ2-CE1 3.96Å; W172-F213 AromaticContact CZ2-CG 3.84Å; W172-F213 HydrophobicContact CZ2-CG 3.84Å; W172-F213 AromaticContact NE1-CD1 3.52Å; W172-F213 AromaticContact NE1-CD2 3.12Å; W172-F213 AromaticContact NE1-CE1 3.73Å; W172-F213 AromaticContact NE1-CE2 3.34Å; W172-F213 VanDerWaalsContact NE1-CE2 3.34Å; W172-F213 AromaticContact NE1-CG 3.18Å; W172-F213 AromaticContact NE1-CZ 3.62Å; W172-V215 HydrophobicContact CH2-CG1 4.41Å; W172-V215 HydrophobicContact CH2-CG2 3.92Å; W172-V215 HydrophobicContact CZ2-CG2 3.65Å |
| 173 | D | 82 | Confident | 81.7 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | -176.8 | -145.1 | -131.8 | 0 | 0 | 0 | 110.5 | G164 L165 V168 I169 R170 L177 | G164-D173 WeakPolarHBondContact CA-OD1 3.46Å; G164-D173 PolarHBondContact N-OD1 3.46Å; G164-D173 VanDerWaalsContact N-OD1 3.16Å; G164-D173 PolarHBondContact N-OD2 2.97Å; L165-D173 PolarHBondContact N-OD1 3.37Å; V168-D173 HydrophobicContact CG2-CB 4.15Å; I169-D173 PolarHBondContact O-N 2.75Å; I169-D173 VanDerWaalsContact O-N 3.13Å; R170-D173 PolarHBondContact O-N 3.48Å; D173-L177 WeakPolarHBondContact O-CD1 3.32Å; D173-L177 VanDerWaalsContact O-CG 3.27Å; D173-L177 WeakPolarHBondContact O-CG 3.26Å |
| 174 | E | 82.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.7 | -43.4 | 177.6 | -67.7 | -73.2 | 101.5 | 0 | 0 | 112.5 | Y108 R170 W172 L176 W193 | Y108-E174 HydrophobicContact CE1-CB 3.76Å; R170-E174 PolarHBondContact O-N 2.87Å; R170-E174 VanDerWaalsContact O-N 3.1Å; W172-E174 VanDerWaalsContact C-N 3.32Å; W172-E174 PolarHBondContact O-N 2.96Å; E174-L176 PolarHBondContact O-N 2.66Å; E174-W193 HydrophobicContact CB-CZ3 4.35Å; E174-W193 HydrophobicContact CG-CZ3 3.98Å |
| 175 | A | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y108 G171 W172 L177 T178 L187 | Y108-A175 HydrophobicContact CD2-CB 3.89Å; Y108-A175 HydrophobicContact CE2-CB 3.57Å; G171-A175 WeakPolarHBondContact O-CB 3.49Å; G171-A175 PolarHBondContact O-N 2.96Å; G171-A175 VanDerWaalsContact O-N 3.09Å; W172-A175 PolarHBondContact O-N 3.31Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.32Å; A175-T178 PolarHBondContact O-N 2.94Å; A175-T178 VanDerWaalsContact O-N 3.09Å; A175-T178 PolarHBondContact O-OG1 2.85Å; A175-L187 HydrophobicContact CB-CD1 3.55Å; A175-L187 HydrophobicContact CB-CD2 3.63Å; A175-L187 HydrophobicContact CB-CG 4.16Å |
| 176 | L | 87.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -32.3 | -176.7 | -78.2 | 167.7 | 0 | 0 | 0 | 113.1 | P122 F161 V163 W172 E174 T178 M179 V215 | P122-L176 WeakPolarHBondContact CG-O 3.48Å; F161-L176 HydrophobicContact CE1-CD1 4.3Å; F161-L176 HydrophobicContact CE2-CD1 4.23Å; F161-L176 HydrophobicContact CZ-CD1 3.42Å; F161-L176 VanDerWaalsContact CZ-CD1 3.42Å; V163-L176 HydrophobicContact CG2-CB 4.1Å; W172-L176 HydrophobicContact CD2-CD1 4.37Å; W172-L176 HydrophobicContact CE3-CD1 3.6Å; W172-L176 HydrophobicContact CZ3-CD1 4.15Å; W172-L176 VanDerWaalsContact O-CB 3.31Å; W172-L176 WeakPolarHBondContact O-CB 3.41Å; W172-L176 WeakPolarHBondContact O-CG 3.13Å; W172-L176 PolarHBondContact O-N 2.75Å; E174-L176 PolarHBondContact O-N 2.66Å; L176-T178 PolarHBondContact O-N 3.48Å; L176-T178 VanDerWaalsContact O-N 3.15Å; L176-M179 HydrophobicContact CD2-SD 3.73Å; L176-M179 PolarHBondContact O-N 3.47Å; L176-V215 HydrophobicContact CD2-CG1 4.02Å |
| 177 | L | 84.8 | Confident | 82.7 | Confident | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.8 | -24.9 | 172.7 | -69.3 | 169.1 | 0 | 0 | 0 | 112.4 | P122 V163 D173 A175 | P122-L177 VanDerWaalsContact O-CD2 3.3Å; P122-L177 WeakPolarHBondContact O-CD2 3.28Å; V163-L177 HydrophobicContact CG1-CD2 3.84Å; V163-L177 HydrophobicContact CG2-CD2 3.98Å; V163-L177 HydrophobicContact CG2-CG 3.98Å; D173-L177 WeakPolarHBondContact O-CD1 3.32Å; D173-L177 VanDerWaalsContact O-CG 3.27Å; D173-L177 WeakPolarHBondContact O-CG 3.26Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 3.32Å |
| 178 | T | 80.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 33.9 Ų | 33.9 | 36% | 0.362 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -4.6 | 177.9 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | K110 A175 L176 | K110-T178 WeakPolarHBondContact CD-OG1 3.16Å; K110-T178 WeakPolarHBondContact CE-OG1 3.5Å; K110-T178 PolarHBondContact NZ-O 3.43Å; K110-T178 PolarHBondContact NZ-OG1 3.26Å; A175-T178 PolarHBondContact O-N 2.94Å; A175-T178 VanDerWaalsContact O-N 3.09Å; A175-T178 PolarHBondContact O-OG1 2.85Å; L176-T178 PolarHBondContact O-N 3.48Å; L176-T178 VanDerWaalsContact O-N 3.15Å |
| 179 | M | 83.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -90.2 | 142.3 | -179.2 | -68.5 | -173.2 | 64.5 | 0 | 0 | 110.8 | K110 F121 P122 L176 E183 A185 L217 | K110-M179 HydrophobicContact CD-CG 4.15Å; F121-M179 WeakPolarHBondContact CD1-O 3.16Å; P122-M179 WeakPolarHBondContact CD-O 3.41Å; L176-M179 HydrophobicContact CD2-SD 3.73Å; L176-M179 PolarHBondContact O-N 3.47Å; M179-E183 HydrophobicContact CE-CB 4Å; M179-E183 HydrophobicContact CE-CG 3.99Å; M179-E183 VanDerWaalsContact CE-O 3.31Å; M179-E183 WeakPolarHBondContact CE-O 3.43Å; M179-A185 HydrophobicContact CE-CB 3.61Å; M179-A185 HydrophobicContact CG-CB 4.46Å; M179-A185 HydrophobicContact SD-CB 3.91Å; M179-L217 HydrophobicContact CB-CD2 4.13Å; M179-L217 HydrophobicContact CE-CB 4.35Å |
| 180 | S | 82.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -94.6 | 153.8 | 172.9 | 54.9 | 0 | 0 | 0 | 0 | 112 | G116 K118 N120 G182 E183 | G116-S180 WeakPolarHBondContact CA-OG 3.34Å; K118-S180 VanDerWaalsContact N-CB 3.27Å; K118-S180 PolarHBondContact N-OG 2.99Å; N120-S180 CarbonylContact O-C 3.57Å; N120-S180 WeakPolarHBondContact O-CA 2.94Å; S180-G182 PolarHBondContact O-N 3.16Å; S180-E183 PolarHBondContact N-OE2 2.68Å; S180-E183 WeakPolarHBondContact O-CB 3.37Å; S180-E183 PolarHBondContact O-N 3.34Å; S180-E183 PolarHBondContact OG-OE2 2.89Å |
| 181 | K | 85.6 | Confident | 83.6 | Confident | 89 Ų | 89 | 28.8 Ų | 28.8 | 39% | 0.387 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 134.3 | 177.3 | 175.6 | -175.5 | 177.7 | 178 | 0 | 110.4 | G116 D117 N120 E183 V220 | G116-K181 CarbonylContact C-O 3.52Å; G116-K181 VanDerWaalsContact CA-O 3.29Å; G116-K181 WeakPolarHBondContact CA-O 3.49Å; D117-K181 PolarHBondContact N-O 2.88Å; D117-K181 WeakPolarHBondContact OD2-CB 3.11Å; N120-K181 HydrophobicContact CB-CB 3.94Å; N120-K181 PolarHBondContact O-N 2.86Å; K181-E183 VanDerWaalsContact C-N 3.28Å; K181-E183 PolarHBondContact O-N 3.44Å; K181-V220 HydrophobicContact CB-CG2 4.46Å |
| 182 | G | 79.6 | Confident | 83.6 | Confident | 32 Ų | 32 | 34.9 Ų | 34.9 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | S180 L217 | S180-G182 PolarHBondContact O-N 3.16Å; G182-L217 WeakPolarHBondContact CA-O 3.49Å; G182-L217 PolarHBondContact N-O 3.29Å |
| 183 | E | 83.2 | Confident | 83.5 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | trans | -73.3 | 136.1 | 177 | -170.6 | 174.3 | 133.9 | 0 | 0 | 110.8 | K110 V112 K114 M179 S180 K181 E216 L217 | K110-E183 IonicContact NZ-OE1 3.09Å; K110-E183 PolarHBondContact NZ-OE1 2.81Å; K110-E183 VanDerWaalsContact NZ-OE1 3.09Å; V112-E183 HydrophobicContact CG1-CG 3.88Å; V112-E183 WeakPolarHBondContact CG2-OE1 3.09Å; K114-E183 WeakPolarHBondContact O-CA 3.48Å; K114-E183 WeakPolarHBondContact O-CG 3.45Å; M179-E183 HydrophobicContact CE-CB 4Å; M179-E183 HydrophobicContact CE-CG 3.99Å; M179-E183 VanDerWaalsContact CE-O 3.31Å; M179-E183 WeakPolarHBondContact CE-O 3.43Å; S180-E183 PolarHBondContact N-OE2 2.68Å; S180-E183 WeakPolarHBondContact O-CB 3.37Å; S180-E183 PolarHBondContact O-N 3.34Å; S180-E183 PolarHBondContact OG-OE2 2.89Å; K181-E183 VanDerWaalsContact C-N 3.28Å; K181-E183 PolarHBondContact O-N 3.44Å; E183-E216 WeakPolarHBondContact O-CA 3.3Å; E183-L217 PolarHBondContact O-N 3.24Å | ||
| 184 | T | 83.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.2 | 164.5 | -45.3 | 0 | 0 | 0 | 0 | 108 | L113 K114 V215 E216 | L113-T184 WeakPolarHBondContact CA-O 3.33Å; L113-T184 HydrophobicContact CB-CG2 4.47Å; L113-T184 WeakPolarHBondContact CB-O 3.22Å; L113-T184 HydrophobicContact CD1-CG2 4.36Å; L113-T184 PolarHBondContact N-O 2.95Å; K114-T184 PolarHBondContact N-O 3.43Å; K114-T184 PolarHBondContact O-N 3.03Å; T184-V215 CarbonylContact C-O 3.58Å; T184-V215 VanDerWaalsContact CA-O 3.24Å; T184-V215 WeakPolarHBondContact CA-O 3.23Å; T184-E216 HydrophobicContact CG2-CB 4.35Å |
| 185 | A | 82 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K110 A111 M179 L187 E214 V215 | K110-A185 HydrophobicContact CD-CB 4.16Å; K110-A185 HydrophobicContact CG-CB 4.02Å; A111-A185 CarbonylContact O-C 3.54Å; A111-A185 VanDerWaalsContact O-CA 3.3Å; A111-A185 WeakPolarHBondContact O-CA 3.45Å; M179-A185 HydrophobicContact CE-CB 3.61Å; M179-A185 HydrophobicContact CG-CB 4.46Å; M179-A185 HydrophobicContact SD-CB 3.91Å; A185-L187 HydrophobicContact CB-CD2 4.34Å; A185-E214 WeakPolarHBondContact O-CA 3.12Å; A185-V215 PolarHBondContact N-O 2.66Å; A185-V215 PolarHBondContact O-N 2.77Å |
| 186 | R | 84.8 | Confident | 83 | Confident | 97 Ų | 97 | 37.6 Ų | 37.6 | 37% | 0.366 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.3 | 167.3 | -176.7 | 171.7 | 174.5 | 164 | -1.6 | 108.6 | K110 A111 L113 I212 F213 E214 | K110-R186 WeakPolarHBondContact CA-O 3.39Å; A111-R186 PolarHBondContact N-O 3.03Å; A111-R186 PolarHBondContact O-N 3.11Å; L113-R186 HydrophobicContact CD1-CB 3.95Å; L113-R186 HydrophobicContact CG-CB 4.22Å; R186-I212 HydrophobicContact CG-CG2 3.97Å; R186-I212 VanDerWaalsContact NE-CG2 3.3Å; R186-F213 CarbonylContact C-O 3.55Å; R186-F213 WeakPolarHBondContact CA-O 3.24Å; R186-E214 HydrophobicContact CB-CG 4.48Å; R186-E214 HydrophobicContact CG-CG 4.39Å |
| 187 | L | 86.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.1 | 177.5 | -51.1 | -176.7 | 0 | 0 | 0 | 108.4 | T109 K110 A175 A185 I189 I212 F213 V215 | T109-L187 CarbonylContact O-C 3.54Å; T109-L187 WeakPolarHBondContact O-CA 3.48Å; K110-L187 HydrophobicContact CB-CD2 3.8Å; K110-L187 HydrophobicContact CD-CD2 3.99Å; K110-L187 HydrophobicContact CG-CD2 3.56Å; A175-L187 HydrophobicContact CB-CD1 3.55Å; A175-L187 HydrophobicContact CB-CD2 3.63Å; A175-L187 HydrophobicContact CB-CG 4.16Å; A185-L187 HydrophobicContact CB-CD2 4.34Å; L187-I189 HydrophobicContact CB-CD1 4.5Å; L187-I212 CarbonylContact O-C 3.4Å; L187-I212 WeakPolarHBondContact O-CA 3.39Å; L187-F213 HydrophobicContact CB-CB 4.34Å; L187-F213 PolarHBondContact N-O 3.25Å; L187-F213 PolarHBondContact O-N 3.21Å; L187-V215 HydrophobicContact CD1-CG2 3.91Å; L187-V215 HydrophobicContact CG-CG2 4.35Å |
| 188 | E | 84 | Confident | 81.8 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 23% | 0.229 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.6 | 173.6 | -72.7 | -175.9 | 72.2 | 0 | 0 | 107.2 | Y108 T109 K210 L211 I212 | Y108-E188 CarbonylContact C-O 3.57Å; Y108-E188 WeakPolarHBondContact CA-O 3.44Å; Y108-E188 WeakPolarHBondContact CB-O 3.13Å; T109-E188 PolarHBondContact N-O 3.03Å; T109-E188 PolarHBondContact O-N 2.89Å; E188-K210 VanDerWaalsContact OE1-CE 3.3Å; E188-K210 WeakPolarHBondContact OE1-CE 3.2Å; E188-K210 IonicContact OE1-NZ 2.66Å; E188-K210 PolarHBondContact OE1-NZ 3.15Å; E188-L211 CarbonylContact C-O 3.44Å; E188-L211 WeakPolarHBondContact CA-O 3.17Å; E188-I212 HydrophobicContact CG-CG1 4.27Å; E188-I212 HydrophobicContact CG-CG2 4.33Å |
| 189 | I | 82.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.6 | -171 | -58.2 | 166.8 | 0 | 0 | 0 | 108.1 | I169 W172 L187 W193 A194 K210 L211 F213 | I169-I189 HydrophobicContact CD1-CD1 3.8Å; I169-I189 HydrophobicContact CD1-CG2 4.33Å; I169-I189 HydrophobicContact CG1-CD1 4.4Å; W172-I189 HydrophobicContact CG-CD1 4.31Å; L187-I189 HydrophobicContact CB-CD1 4.5Å; I189-W193 HydrophobicContact CG2-CB 3.88Å; I189-A194 HydrophobicContact CG2-CB 3.97Å; I189-K210 WeakPolarHBondContact O-CA 3.42Å; I189-K210 WeakPolarHBondContact O-CG 3.43Å; I189-L211 PolarHBondContact N-O 3.29Å; I189-L211 PolarHBondContact O-N 3Å; I189-F213 HydrophobicContact CD1-CD2 4.11Å; I189-F213 HydrophobicContact CD1-CE2 4.29Å |
| 190 | E | 86.1 | Confident | 81.3 | Confident | 71 Ų | 71 | 50.9 Ų | 50.9 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | trans | -62.9 | 150.4 | 176 | -64.3 | -59.3 | 120.1 | 0 | 0 | 110.2 | K107 E192 W193 A194 K210 | K107-E190 HydrophobicContact CB-CB 4.01Å; K107-E190 HydrophobicContact CB-CG 4.21Å; K107-E190 VanDerWaalsContact O-CB 3.3Å; K107-E190 WeakPolarHBondContact O-CB 3.36Å; K107-E190 WeakPolarHBondContact O-CG 3.48Å; K107-E190 PolarHBondContact O-N 3.2Å; E190-E192 PolarHBondContact O-N 3.44Å; E190-W193 PolarHBondContact O-N 3.27Å; E190-A194 PolarHBondContact O-N 2.89Å; E190-K210 WeakPolarHBondContact OE1-CD 3.29Å; E190-K210 WeakPolarHBondContact OE1-CE 3.49Å; E190-K210 IonicContact OE1-NZ 2.91Å | ||
| 191 | P | 81.4 | Confident | 80.7 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -51.7 | -36.9 | -177.7 | 19.8 | -34 | 0 | 0 | 0 | 112.7 | W193 A194 Y195 G196 N208 A209 | P191-W193 PolarHBondContact O-N 3.06Å; P191-A194 CarbonylContact O-C 3.55Å; P191-A194 WeakPolarHBondContact O-CA 3.43Å; P191-A194 PolarHBondContact O-N 3.28Å; P191-Y195 PolarHBondContact O-N 3.46Å; P191-G196 WeakPolarHBondContact O-CA 3.42Å; P191-G196 PolarHBondContact O-N 2.89Å; P191-N208 HydrophobicContact CB-CB 4.45Å; P191-N208 HydrophobicContact CG-CB 4.25Å; P191-N208 WeakPolarHBondContact CG-O 3.44Å; P191-A209 WeakPolarHBondContact CB-O 3.5Å |
| 192 | E | 81.8 | Confident | 80 | Confident | 128 Ų | 128 | 59 Ų | 59 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -59.4 | -29.1 | -179.4 | -61 | -174.3 | 82.1 | 0 | 0 | 114.3 | K107 E190 | K107-E192 HydrophobicContact CD-CB 3.84Å; K107-E192 HydrophobicContact CD-CG 4.41Å; K107-E192 VanDerWaalsContact CD-OE2 3.28Å; K107-E192 WeakPolarHBondContact CD-OE2 3.33Å; K107-E192 WeakPolarHBondContact CE-OE2 3.1Å; K107-E192 IonicContact NZ-OE1 2.75Å; K107-E192 PolarHBondContact NZ-OE1 3.27Å; K107-E192 IonicContact NZ-OE2 2.74Å; K107-E192 PolarHBondContact NZ-OE2 3.35Å; E190-E192 PolarHBondContact O-N 3.44Å |
| 193 | W | 82.3 | Confident | 79.1 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -105.5 | 10.8 | 175.6 | -78 | 26.3 | 0 | 0 | 0 | 112.5 | P106 K107 Y108 R170 G171 E174 I189 E190 P191 | P106-W193 HydrophobicContact CB-CH2 4.37Å; P106-W193 HydrophobicContact CB-CZ3 4.44Å; K107-W193 HydrophobicContact CB-CB 4.41Å; K107-W193 HydrophobicContact CB-CD2 3.97Å; K107-W193 HydrophobicContact CB-CG 3.84Å; Y108-W193 AromaticContact CD1-CE3 3.69Å; Y108-W193 HydrophobicContact CD1-CE3 3.69Å; Y108-W193 AromaticContact CD1-CZ3 3.47Å; Y108-W193 HydrophobicContact CD1-CZ3 3.47Å; Y108-W193 VanDerWaalsContact CD1-CZ3 3.47Å; Y108-W193 HydrophobicContact CE1-CE3 4.32Å; Y108-W193 AromaticContact CE1-CZ3 3.67Å; Y108-W193 HydrophobicContact CE1-CZ3 3.67Å; R170-W193 HydrophobicContact CB-CB 4.35Å; R170-W193 HydrophobicContact CB-CD2 4.47Å; R170-W193 HydrophobicContact CB-CG 4.38Å; R170-W193 HydrophobicContact CG-CD2 3.99Å; R170-W193 HydrophobicContact CG-CE3 3.95Å; R170-W193 HydrophobicContact CG-CG 4.35Å; R170-W193 HydrophobicContact CG-CZ3 4.35Å; R170-W193 PolarHBondContact N-O 3.11Å; G171-W193 PolarHBondContact N-O 3.39Å; E174-W193 HydrophobicContact CB-CZ3 4.35Å; E174-W193 HydrophobicContact CG-CZ3 3.98Å; I189-W193 HydrophobicContact CG2-CB 3.88Å; E190-W193 PolarHBondContact O-N 3.27Å; P191-W193 PolarHBondContact O-N 3.06Å |
| 194 | A | 86.9 | Confident | 78.7 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -111.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I169 I189 E190 P191 L211 | I169-A194 HydrophobicContact CD1-CB 3.87Å; I189-A194 HydrophobicContact CG2-CB 3.97Å; E190-A194 PolarHBondContact O-N 2.89Å; P191-A194 CarbonylContact O-C 3.55Å; P191-A194 WeakPolarHBondContact O-CA 3.43Å; P191-A194 PolarHBondContact O-N 3.28Å; A194-L211 HydrophobicContact CB-CD1 3.63Å; A194-L211 HydrophobicContact CB-CG 4.01Å |
| 195 | Y | 78.4 | Confident | 78.2 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 38% | 0.384 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 6.1 | -175.6 | -59.8 | -65.5 | 0 | 0 | 0 | 114.5 | I169 P191 G199 V200 I205 L211 | I169-Y195 HydrophobicContact CG2-CE1 4.11Å; P191-Y195 PolarHBondContact O-N 3.46Å; Y195-G199 PolarHBondContact O-N 3.42Å; Y195-V200 HydrophobicContact CD1-CG2 3.35Å; Y195-V200 HydrophobicContact CD2-CG2 3.67Å; Y195-V200 HydrophobicContact CE1-CG2 3.73Å; Y195-V200 HydrophobicContact CE2-CG2 4.04Å; Y195-V200 HydrophobicContact CG-CG2 3.32Å; Y195-I205 HydrophobicContact CD2-CD1 3.66Å; Y195-I205 HydrophobicContact CD2-CG2 4.15Å; Y195-I205 HydrophobicContact CE2-CD1 3.41Å; Y195-I205 VanDerWaalsContact CE2-CD1 3.41Å; Y195-L211 HydrophobicContact CD2-CD1 3.6Å; Y195-L211 HydrophobicContact CE2-CD1 3.54Å |
| 196 | G | 76 | Confident | 77.8 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 61.5 | -158.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P191 K198 G199 N208 | P191-G196 WeakPolarHBondContact O-CA 3.42Å; P191-G196 PolarHBondContact O-N 2.89Å; G196-K198 PolarHBondContact O-N 2.85Å; G196-K198 VanDerWaalsContact O-N 3.11Å; G196-G199 PolarHBondContact O-N 3.32Å; G196-N208 PolarHBondContact O-N 3.41Å |
| 197 | K | 74.1 | Confident | 77.5 | Confident | 175 Ų | 175 | 68.9 Ų | 68.9 | 76% | 0.761 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -61.9 | -15.8 | 177.3 | -69.4 | 173.1 | -179.1 | -174.4 | 0 | 113.8 | P207 N208 | K197-P207 VanDerWaalsContact O-CB 3.23Å; K197-P207 WeakPolarHBondContact O-CB 3.4Å; K197-N208 VanDerWaalsContact CA-OD1 3.3Å; K197-N208 WeakPolarHBondContact CA-OD1 3.36Å; K197-N208 WeakPolarHBondContact CG-OD1 3.28Å |
| 198 | K | 72.3 | Confident | 77.1 | Confident | 172 Ų | 172 | 73.1 Ų | 73.1 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -87.1 | -31.8 | -177.8 | -167 | 174.5 | 178.7 | -179.7 | 0 | 112.3 | G196 | G196-K198 PolarHBondContact O-N 2.85Å; G196-K198 VanDerWaalsContact O-N 3.11Å |
| 199 | G | 78 | Confident | 76.8 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | trans | 61.6 | -163.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y195 G196 P206 | Y195-G199 PolarHBondContact O-N 3.42Å; G196-G199 PolarHBondContact O-N 3.32Å; G199-P206 WeakPolarHBondContact CA-O 3.37Å | ||
| 200 | V | 76.8 | Confident | 76.6 | Confident | 31 Ų | 31 | 73 Ų | 73 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -135.2 | 93.1 | 175.5 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | Y195 D202 S203 K204 I205 | Y195-V200 HydrophobicContact CD1-CG2 3.35Å; Y195-V200 HydrophobicContact CD2-CG2 3.67Å; Y195-V200 HydrophobicContact CE1-CG2 3.73Å; Y195-V200 HydrophobicContact CE2-CG2 4.04Å; Y195-V200 HydrophobicContact CG-CG2 3.32Å; V200-D202 VanDerWaalsContact C-N 3.26Å; V200-D202 HydrophobicContact CG1-CB 4.47Å; V200-D202 PolarHBondContact O-N 3.49Å; V200-S203 CarbonylContact O-C 3.5Å; V200-S203 PolarHBondContact O-N 3.06Å; V200-S203 VanDerWaalsContact O-N 3.13Å; V200-K204 PolarHBondContact O-N 3.03Å; V200-I205 CarbonylContact C-O 3.57Å; V200-I205 HydrophobicContact CB-CB 4.05Å; V200-I205 HydrophobicContact CB-CD1 4.19Å; V200-I205 HydrophobicContact CB-CG1 4.4Å; V200-I205 HydrophobicContact CG2-CD1 4.29Å; V200-I205 PolarHBondContact N-O 3.06Å; V200-I205 PolarHBondContact O-N 3.05Å |
| 201 | P | 68.9 | Low | 76.5 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -56.5 | -39 | -178.3 | -25.3 | 34 | 0 | 0 | 0 | 113.2 | S203 K204 | P201-S203 VanDerWaalsContact C-N 3.27Å; P201-S203 PolarHBondContact O-N 3.48Å; P201-K204 PolarHBondContact O-N 3.43Å |
| 202 | D | 70.6 | Confident | 76.6 | Confident | 159 Ų | 159 | 69.6 Ų | 69.6 | 85% | 0.85 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -62.3 | -32.4 | 179.6 | -63.1 | -77.8 | 0 | 0 | 0 | 113.3 | V200 | V200-D202 VanDerWaalsContact C-N 3.26Å; V200-D202 HydrophobicContact CG1-CB 4.47Å; V200-D202 PolarHBondContact O-N 3.49Å |
| 203 | S | 60.9 | Low | 76.8 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -98.7 | 13.1 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | V200 P201 I205 | V200-S203 CarbonylContact O-C 3.5Å; V200-S203 PolarHBondContact O-N 3.06Å; V200-S203 VanDerWaalsContact O-N 3.13Å; P201-S203 VanDerWaalsContact C-N 3.27Å; P201-S203 PolarHBondContact O-N 3.48Å; S203-I205 PolarHBondContact O-N 3.06Å |
| 204 | K | 74.8 | Confident | 76.9 | Confident | 174 Ų | 174 | 67 Ų | 67 | 76% | 0.757 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 25.4 | -176.8 | -53.1 | 177.3 | -178.1 | 173.6 | 0 | 113.9 | V200 P201 P206 | V200-K204 PolarHBondContact O-N 3.03Å; P201-K204 PolarHBondContact O-N 3.43Å; K204-P206 WeakPolarHBondContact O-CD 3.49Å |
| 205 | I | 72.8 | Confident | 76.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 113.9 | 177.4 | -58.3 | 177.7 | 0 | 0 | 0 | 107.8 | L136 F142 Y195 V200 S203 A209 L211 | L136-I205 HydrophobicContact CD2-CG1 4.37Å; L136-I205 HydrophobicContact CD2-CG2 4.16Å; F142-I205 HydrophobicContact CB-CG1 4.24Å; F142-I205 HydrophobicContact CD2-CD1 3.66Å; F142-I205 HydrophobicContact CD2-CG1 4.11Å; F142-I205 HydrophobicContact CE2-CD1 3.86Å; F142-I205 HydrophobicContact CG-CD1 4.1Å; F142-I205 HydrophobicContact CG-CG1 4.05Å; F142-I205 HydrophobicContact CZ-CD1 4.41Å; Y195-I205 HydrophobicContact CD2-CD1 3.66Å; Y195-I205 HydrophobicContact CD2-CG2 4.15Å; Y195-I205 HydrophobicContact CE2-CD1 3.41Å; Y195-I205 VanDerWaalsContact CE2-CD1 3.41Å; V200-I205 CarbonylContact C-O 3.57Å; V200-I205 HydrophobicContact CB-CB 4.05Å; V200-I205 HydrophobicContact CB-CD1 4.19Å; V200-I205 HydrophobicContact CB-CG1 4.4Å; V200-I205 HydrophobicContact CG2-CD1 4.29Å; V200-I205 PolarHBondContact N-O 3.06Å; V200-I205 PolarHBondContact O-N 3.05Å; S203-I205 PolarHBondContact O-N 3.06Å; I205-A209 HydrophobicContact CG2-CB 3.63Å; I205-L211 HydrophobicContact CD1-CD2 4.39Å; I205-L211 HydrophobicContact CG2-CD2 3.85Å |
| 206 | P | 75.4 | Confident | 77.2 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | trans | -70.3 | 162.2 | -177.6 | 24 | -27.7 | 0 | 0 | 0 | 112.6 | L136 G199 K204 A209 | L136-P206 HydrophobicContact CD1-CG 4.44Å; G199-P206 WeakPolarHBondContact CA-O 3.37Å; K204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-A209 HydrophobicContact CG-CB 3.9Å; P206-A209 WeakPolarHBondContact O-CB 3.33Å; P206-A209 PolarHBondContact O-N 2.62Å | ||
| 207 | P | 78.3 | Confident | 77.7 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 136.6 | 164.8 | -33.3 | 40.7 | 0 | 0 | 0 | 112.5 | K197 A209 | K197-P207 VanDerWaalsContact O-CB 3.23Å; K197-P207 WeakPolarHBondContact O-CB 3.4Å; P207-A209 PolarHBondContact O-N 3.33Å; P207-A209 VanDerWaalsContact O-N 3.14Å |
| 208 | N | 77.8 | Confident | 78.2 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 24.6 | 179.2 | -59.3 | -56.8 | 0 | 0 | 0 | 114.4 | P191 G196 K197 K210 | P191-N208 HydrophobicContact CB-CB 4.45Å; P191-N208 HydrophobicContact CG-CB 4.25Å; P191-N208 WeakPolarHBondContact CG-O 3.44Å; G196-N208 PolarHBondContact O-N 3.41Å; K197-N208 VanDerWaalsContact CA-OD1 3.3Å; K197-N208 WeakPolarHBondContact CA-OD1 3.36Å; K197-N208 WeakPolarHBondContact CG-OD1 3.28Å; N208-K210 PolarHBondContact O-N 3.46Å |
| 209 | A | 76 | Confident | 78.8 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | trans | -69.2 | 124.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L136 P191 I205 P206 P207 L211 | L136-A209 HydrophobicContact CD2-CB 4.06Å; P191-A209 WeakPolarHBondContact CB-O 3.5Å; I205-A209 HydrophobicContact CG2-CB 3.63Å; P206-A209 HydrophobicContact CG-CB 3.9Å; P206-A209 WeakPolarHBondContact O-CB 3.33Å; P206-A209 PolarHBondContact O-N 2.62Å; P207-A209 PolarHBondContact O-N 3.33Å; P207-A209 VanDerWaalsContact O-N 3.14Å; A209-L211 HydrophobicContact CB-CD2 4.26Å | ||
| 210 | K | 79.4 | Confident | 79.1 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 15% | 0.148 | 29% | 0.285 | C | S | . | . | trans | -73.6 | 136.6 | 160.9 | -176.1 | -177 | 178.7 | -175.5 | 0 | 108.8 | E137 E188 I189 E190 N208 | E137-K210 HydrophobicContact CG-CB 3.88Å; E137-K210 HydrophobicContact CG-CD 4.17Å; E137-K210 HydrophobicContact CG-CG 4.3Å; E137-K210 WeakPolarHBondContact OE2-CB 3.48Å; E188-K210 VanDerWaalsContact OE1-CE 3.3Å; E188-K210 WeakPolarHBondContact OE1-CE 3.2Å; E188-K210 IonicContact OE1-NZ 2.66Å; E188-K210 PolarHBondContact OE1-NZ 3.15Å; I189-K210 WeakPolarHBondContact O-CA 3.42Å; I189-K210 WeakPolarHBondContact O-CG 3.43Å; E190-K210 WeakPolarHBondContact OE1-CD 3.29Å; E190-K210 WeakPolarHBondContact OE1-CE 3.49Å; E190-K210 IonicContact OE1-NZ 2.91Å; N208-K210 PolarHBondContact O-N 3.46Å | ||
| 211 | L | 84.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.6 | -178 | -53.9 | -175.8 | 0 | 0 | 0 | 110.2 | L136 F142 I169 E188 I189 A194 Y195 I205 A209 F213 | L136-L211 HydrophobicContact CD2-CD2 3.71Å; F142-L211 HydrophobicContact CE1-CB 4.44Å; F142-L211 HydrophobicContact CE1-CD2 3.79Å; F142-L211 HydrophobicContact CZ-CB 4.31Å; F142-L211 HydrophobicContact CZ-CD1 4.1Å; F142-L211 HydrophobicContact CZ-CD2 3.94Å; F142-L211 HydrophobicContact CZ-CG 4.35Å; I169-L211 HydrophobicContact CD1-CD1 4.18Å; E188-L211 CarbonylContact C-O 3.44Å; E188-L211 WeakPolarHBondContact CA-O 3.17Å; I189-L211 PolarHBondContact N-O 3.29Å; I189-L211 PolarHBondContact O-N 3Å; A194-L211 HydrophobicContact CB-CD1 3.63Å; A194-L211 HydrophobicContact CB-CG 4.01Å; Y195-L211 HydrophobicContact CD2-CD1 3.6Å; Y195-L211 HydrophobicContact CE2-CD1 3.54Å; I205-L211 HydrophobicContact CD1-CD2 4.39Å; I205-L211 HydrophobicContact CG2-CD2 3.85Å; A209-L211 HydrophobicContact CB-CD2 4.26Å; L211-F213 HydrophobicContact CB-CD2 4Å; L211-F213 HydrophobicContact CB-CE2 3.4Å; L211-F213 VanDerWaalsContact CB-CE2 3.4Å; L211-F213 HydrophobicContact CB-CZ 4.17Å; L211-F213 HydrophobicContact CD1-CE2 3.68Å; L211-F213 HydrophobicContact CD1-CZ 3.84Å; L211-F213 HydrophobicContact CG-CE2 4.22Å |
| 212 | I | 83.7 | Confident | 79.9 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.1 | 176 | -51.9 | -174.5 | 0 | 0 | 0 | 107.1 | G134 S135 E137 R186 L187 E188 | G134-I212 CarbonylContact C-O 3.51Å; G134-I212 WeakPolarHBondContact CA-O 3.21Å; S135-I212 PolarHBondContact N-O 3.35Å; S135-I212 WeakPolarHBondContact O-CA 3.47Å; S135-I212 WeakPolarHBondContact O-CB 3.32Å; S135-I212 PolarHBondContact O-N 3.3Å; S135-I212 VanDerWaalsContact O-O 3.05Å; E137-I212 HydrophobicContact CG-CD1 4.29Å; R186-I212 HydrophobicContact CG-CG2 3.97Å; R186-I212 VanDerWaalsContact NE-CG2 3.3Å; L187-I212 CarbonylContact O-C 3.4Å; L187-I212 WeakPolarHBondContact O-CA 3.39Å; E188-I212 HydrophobicContact CG-CG1 4.27Å; E188-I212 HydrophobicContact CG-CG2 4.33Å |
| 213 | F | 84.9 | Confident | 80.4 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.7 | 177.4 | -66.5 | -89.3 | 0 | 0 | 0 | 109.9 | Y132 T133 F142 I169 W172 R186 L187 I189 L211 V215 | Y132-F213 HydrophobicContact CD2-CD1 4.15Å; Y132-F213 HydrophobicContact CD2-CE1 4.39Å; T133-F213 VanDerWaalsContact O-CA 3.32Å; T133-F213 WeakPolarHBondContact O-CA 3.49Å; F142-F213 AromaticContact CE2-CE1 3.93Å; F142-F213 HydrophobicContact CE2-CE1 3.93Å; F142-F213 AromaticContact CE2-CZ 3.94Å; F142-F213 HydrophobicContact CE2-CZ 3.94Å; F142-F213 HydrophobicContact CZ-CD1 4.47Å; F142-F213 AromaticContact CZ-CE1 3.6Å; F142-F213 HydrophobicContact CZ-CE1 3.6Å; F142-F213 HydrophobicContact CZ-CE2 4.19Å; F142-F213 AromaticContact CZ-CZ 3.46Å; F142-F213 HydrophobicContact CZ-CZ 3.46Å; F142-F213 VanDerWaalsContact CZ-CZ 3.46Å; I169-F213 HydrophobicContact CD1-CE2 3.93Å; I169-F213 HydrophobicContact CD1-CZ 4.33Å; W172-F213 AromaticContact CD1-CD2 3.95Å; W172-F213 AromaticContact CD1-CE2 3.97Å; W172-F213 AromaticContact CE2-CD1 3.8Å; W172-F213 AromaticContact CE2-CG 3.8Å; W172-F213 HydrophobicContact CZ2-CB 4.05Å; W172-F213 AromaticContact CZ2-CD1 3.49Å; W172-F213 HydrophobicContact CZ2-CD1 3.49Å; W172-F213 VanDerWaalsContact CZ2-CD1 3.49Å; W172-F213 AromaticContact CZ2-CE1 3.96Å; W172-F213 HydrophobicContact CZ2-CE1 3.96Å; W172-F213 AromaticContact CZ2-CG 3.84Å; W172-F213 HydrophobicContact CZ2-CG 3.84Å; W172-F213 AromaticContact NE1-CD1 3.52Å; W172-F213 AromaticContact NE1-CD2 3.12Å; W172-F213 AromaticContact NE1-CE1 3.73Å; W172-F213 AromaticContact NE1-CE2 3.34Å; W172-F213 VanDerWaalsContact NE1-CE2 3.34Å; W172-F213 AromaticContact NE1-CG 3.18Å; W172-F213 AromaticContact NE1-CZ 3.62Å; R186-F213 CarbonylContact C-O 3.55Å; R186-F213 WeakPolarHBondContact CA-O 3.24Å; L187-F213 HydrophobicContact CB-CB 4.34Å; L187-F213 PolarHBondContact N-O 3.25Å; L187-F213 PolarHBondContact O-N 3.21Å; I189-F213 HydrophobicContact CD1-CD2 4.11Å; I189-F213 HydrophobicContact CD1-CE2 4.29Å; L211-F213 HydrophobicContact CB-CD2 4Å; L211-F213 HydrophobicContact CB-CE2 3.4Å; L211-F213 VanDerWaalsContact CB-CE2 3.4Å; L211-F213 HydrophobicContact CB-CZ 4.17Å; L211-F213 HydrophobicContact CD1-CE2 3.68Å; L211-F213 HydrophobicContact CD1-CZ 3.84Å; L211-F213 HydrophobicContact CG-CE2 4.22Å; F213-V215 HydrophobicContact CB-CG2 3.96Å |
| 214 | E | 83.8 | Confident | 81.5 | Confident | 91 Ų | 91 | 49.7 Ų | 49.7 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.9 | 162.3 | -65.2 | -171.5 | 122.3 | 0 | 0 | 107.6 | L113 Y132 T133 A185 R186 | L113-E214 HydrophobicContact CD1-CG 4.37Å; L113-E214 WeakPolarHBondContact CD1-OE1 3.3Å; Y132-E214 CarbonylContact C-O 3.33Å; Y132-E214 WeakPolarHBondContact CA-O 3.22Å; T133-E214 PolarHBondContact N-O 3.18Å; T133-E214 PolarHBondContact O-N 3.25Å; A185-E214 WeakPolarHBondContact O-CA 3.12Å; R186-E214 HydrophobicContact CB-CG 4.48Å; R186-E214 HydrophobicContact CG-CG 4.39Å |
| 215 | V | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.8 | -175.3 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | C130 W131 W172 L176 T184 A185 L187 F213 | C130-V215 HydrophobicContact CB-CG1 3.85Å; W131-V215 CarbonylContact O-C 3.55Å; W131-V215 VanDerWaalsContact O-CA 3.31Å; W131-V215 WeakPolarHBondContact O-CA 3.3Å; W172-V215 HydrophobicContact CH2-CG1 4.41Å; W172-V215 HydrophobicContact CH2-CG2 3.92Å; W172-V215 HydrophobicContact CZ2-CG2 3.65Å; L176-V215 HydrophobicContact CD2-CG1 4.02Å; T184-V215 CarbonylContact C-O 3.58Å; T184-V215 VanDerWaalsContact CA-O 3.24Å; T184-V215 WeakPolarHBondContact CA-O 3.23Å; A185-V215 PolarHBondContact N-O 2.66Å; A185-V215 PolarHBondContact O-N 2.77Å; L187-V215 HydrophobicContact CD1-CG2 3.91Å; L187-V215 HydrophobicContact CG-CG2 4.35Å; F213-V215 HydrophobicContact CB-CG2 3.96Å |
| 216 | E | 86 | Confident | 82.4 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116 | 171.2 | 177.7 | -178.7 | 84.4 | 0 | 0 | 109.1 | C130 W131 E183 T184 V218 | C130-E216 CarbonylContact C-O 3.58Å; C130-E216 WeakPolarHBondContact CA-O 3.31Å; C130-E216 VanDerWaalsContact CB-O 3.24Å; C130-E216 WeakPolarHBondContact CB-O 3.43Å; W131-E216 HydrophobicContact CB-CB 4.29Å; W131-E216 VanDerWaalsContact CD1-OE1 3.32Å; W131-E216 PolarHBondContact N-O 3.07Å; W131-E216 PolarHBondContact O-N 3.45Å; E183-E216 WeakPolarHBondContact O-CA 3.3Å; T184-E216 HydrophobicContact CG2-CB 4.35Å; E216-V218 PolarHBondContact O-N 3.39Å |
| 217 | L | 85.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115.3 | 178.3 | -171.3 | 62.2 | 0 | 0 | 0 | 109.9 | P122 V128 C130 M179 G182 E183 V220 | P122-L217 HydrophobicContact CG-CD2 4.39Å; V128-L217 HydrophobicContact CB-CD1 3.89Å; V128-L217 HydrophobicContact CG1-CD1 4.23Å; C130-L217 HydrophobicContact CB-CD1 4.36Å; M179-L217 HydrophobicContact CB-CD2 4.13Å; M179-L217 HydrophobicContact CE-CB 4.35Å; G182-L217 WeakPolarHBondContact CA-O 3.49Å; G182-L217 PolarHBondContact N-O 3.29Å; E183-L217 PolarHBondContact O-N 3.24Å; L217-V220 HydrophobicContact CD1-CG2 4.36Å; L217-V220 HydrophobicContact CD2-CG2 3.79Å; L217-V220 HydrophobicContact CG-CG2 4.21Å |
| 218 | V | 84.9 | Confident | 83.2 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 35% | 0.352 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -48.4 | -174.7 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | S129 W131 P158 E216 | S129-V218 WeakPolarHBondContact O-CA 3.45Å; S129-V218 WeakPolarHBondContact O-CB 3.41Å; S129-V218 PolarHBondContact O-N 2.72Å; W131-V218 HydrophobicContact CG-CG2 4.33Å; P158-V218 HydrophobicContact CB-CG2 4.4Å; E216-V218 PolarHBondContact O-N 3.39Å |
| 219 | S | 84.6 | Confident | 83.6 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.3 | 178.4 | 79.8 | 0 | 0 | 0 | 0 | 112.1 | V128 S129 D221 | V128-S219 WeakPolarHBondContact CA-O 3.4Å; S129-S219 WeakPolarHBondContact CB-OG 3.45Å; S129-S219 PolarHBondContact N-O 2.9Å; S129-S219 PolarHBondContact O-N 3.1Å; S129-S219 PolarHBondContact OG-OG 3.44Å; S219-D221 PolarHBondContact OG-OD2 3.26Å |
| 220 | V | 84.5 | Confident | 84.3 | Confident | 29 Ų | 29 | 39 Ų | 39 | 18% | 0.176 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.3 | 174 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | P122 D126 V128 K181 L217 | P122-V220 HydrophobicContact CB-CG1 3.69Å; P122-V220 HydrophobicContact CB-CG2 3.99Å; P122-V220 HydrophobicContact CG-CG2 4.42Å; D126-V220 HydrophobicContact CB-CG1 4.28Å; V128-V220 HydrophobicContact CG1-CG2 4.32Å; K181-V220 HydrophobicContact CB-CG2 4.46Å; L217-V220 HydrophobicContact CD1-CG2 4.36Å; L217-V220 HydrophobicContact CD2-CG2 3.79Å; L217-V220 HydrophobicContact CG-CG2 4.21Å |
| 221 | D | 82.8 | Confident | 84.7 | Confident | 150 Ų | 150 | 39.5 Ų | 39.5 | 80% | 0.802 | 21% | 0.21 | S | C | * | . | trans | -134.2 | 0 | -172.8 | -70.5 | -89.6 | 0 | 0 | 0 | 112.1 | D126 T127 S219 | D126-D221 CarbonylContact C-O 3.6Å; T127-D221 PolarHBondContact N-O 3.05Å; T127-D221 PolarHBondContact O-N 3.3Å; S219-D221 PolarHBondContact OG-OD2 3.26Å |
Retrieved 221 of 221 residues in 78.6 ms
(Link to these results)