| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.7 | Very low | 64.1 | Low | 149 Ų | 149 | 81.2 Ų | 81.2 | 73% | 0.734 | 41% | 0.412 | S | S | * | . | 0 | -83.9 | 0 | -88.1 | -171.8 | 69.8 | 0 | 0 | 114.2 | E4 K5 | M1-E4 WeakPolarHBondContact CA-OE2 3.1Å; M1-E4 PolarHBondContact N-OE2 3.03Å; M1-E4 CarbonylContact O-C 3.49Å; M1-E4 WeakPolarHBondContact O-CB 3.48Å; M1-E4 PolarHBondContact O-N 3.3Å; M1-K5 WeakPolarHBondContact O-CG 3.11Å; M1-K5 PolarHBondContact O-N 3.24Å | |||
| 2 | D | 57.6 | Low | 64.7 | Low | 36 Ų | 36 | 82.3 Ų | 82.3 | 19% | 0.193 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -76.8 | -40.4 | -163 | -57.2 | -47.7 | 0 | 0 | 0 | 114.2 | E4 K5 A6 R71 | D2-E4 PolarHBondContact O-N 2.64Å; D2-K5 PolarHBondContact O-N 2.95Å; D2-K5 WeakPolarHBondContact OD1-CE 3.25Å; D2-K5 IonicContact OD1-NZ 3.56Å; D2-K5 PolarHBondContact OD1-NZ 3.09Å; D2-A6 PolarHBondContact O-N 3.11Å; D2-R71 IonicContact OD2-NH1 3.36Å; D2-R71 PolarHBondContact OD2-NH1 3.28Å |
| 3 | K | 58.7 | Low | 65 | Low | 118 Ų | 118 | 79 Ų | 79 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -31.3 | 168.2 | -150.3 | 166.6 | -171.8 | 168.5 | 0 | 112.2 | L7 A68 E72 | K3-L7 WeakPolarHBondContact O-CG 3.28Å; K3-L7 PolarHBondContact O-N 3.3Å; K3-L7 VanDerWaalsContact O-N 3.09Å; K3-A68 HydrophobicContact CB-CB 4.48Å; K3-E72 IonicContact NZ-OE1 2.95Å; K3-E72 PolarHBondContact NZ-OE1 2.91Å; K3-E72 IonicContact NZ-OE2 2.78Å; K3-E72 PolarHBondContact NZ-OE2 2.95Å |
| 4 | E | 63.7 | Low | 65.6 | Low | 122 Ų | 122 | 81.6 Ų | 81.6 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -81.5 | -32.3 | 179.4 | 171.5 | -174.1 | -136.2 | 0 | 0 | 112.3 | M1 D2 M8 | M1-E4 WeakPolarHBondContact CA-OE2 3.1Å; M1-E4 PolarHBondContact N-OE2 3.03Å; M1-E4 CarbonylContact O-C 3.49Å; M1-E4 WeakPolarHBondContact O-CB 3.48Å; M1-E4 PolarHBondContact O-N 3.3Å; D2-E4 PolarHBondContact O-N 2.64Å; E4-M8 WeakPolarHBondContact O-CB 3.16Å; E4-M8 WeakPolarHBondContact O-CG 3.02Å; E4-M8 PolarHBondContact O-N 2.69Å |
| 5 | K | 63.5 | Low | 66.3 | Low | 93 Ų | 93 | 82.6 Ų | 82.6 | 40% | 0.404 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 165.8 | -71.3 | 170.2 | -168.7 | 162.1 | 0 | 111.3 | M1 D2 M8 C9 | M1-K5 WeakPolarHBondContact O-CG 3.11Å; M1-K5 PolarHBondContact O-N 3.24Å; D2-K5 PolarHBondContact O-N 2.95Å; D2-K5 WeakPolarHBondContact OD1-CE 3.25Å; D2-K5 IonicContact OD1-NZ 3.56Å; D2-K5 PolarHBondContact OD1-NZ 3.09Å; K5-M8 WeakPolarHBondContact O-CB 3.4Å; K5-M8 PolarHBondContact O-N 2.62Å; K5-C9 WeakPolarHBondContact O-CB 3.46Å; K5-C9 PolarHBondContact O-N 3.03Å; K5-C9 PolarHBondContact O-SG 3.08Å; K5-C9 VanDerWaalsContact O-SG 3.36Å |
| 6 | A | 62.7 | Low | 66.5 | Low | 10 Ų | 10 | 83.3 Ų | 83.3 | 8% | 0.083 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | D2 C9 D10 L64 | D2-A6 PolarHBondContact O-N 3.11Å; A6-C9 PolarHBondContact O-N 2.94Å; A6-D10 WeakPolarHBondContact O-CB 3.08Å; A6-D10 PolarHBondContact O-N 3.09Å; A6-L64 HydrophobicContact CB-CB 4.39Å |
| 7 | L | 68.4 | Low | 66.6 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 62% | 0.623 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 172.6 | -74.4 | 164.7 | 0 | 0 | 0 | 112.8 | K3 D10 S11 | K3-L7 WeakPolarHBondContact O-CG 3.28Å; K3-L7 PolarHBondContact O-N 3.3Å; K3-L7 VanDerWaalsContact O-N 3.09Å; L7-D10 PolarHBondContact O-N 2.61Å; L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.26Å; L7-S11 PolarHBondContact O-N 3.02Å; L7-S11 PolarHBondContact O-OG 3.08Å |
| 8 | M | 69.6 | Low | 67 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -55.5 | -57.1 | 171.8 | -85 | -72.5 | -56.4 | 0 | 0 | 110.9 | E4 K5 D10 S11 E12 | E4-M8 WeakPolarHBondContact O-CB 3.16Å; E4-M8 WeakPolarHBondContact O-CG 3.02Å; E4-M8 PolarHBondContact O-N 2.69Å; K5-M8 WeakPolarHBondContact O-CB 3.4Å; K5-M8 PolarHBondContact O-N 2.62Å; M8-D10 VanDerWaalsContact C-N 3.33Å; M8-D10 PolarHBondContact O-N 3.34Å; M8-S11 PolarHBondContact O-N 3.23Å; M8-S11 VanDerWaalsContact O-N 3.12Å; M8-S11 PolarHBondContact O-OG 2.94Å; M8-E12 WeakPolarHBondContact CE-OE1 3.39Å; M8-E12 WeakPolarHBondContact O-CG 3.33Å; M8-E12 PolarHBondContact O-N 3.07Å |
| 9 | C | 67.9 | Low | 67.4 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | -178.2 | -69.4 | 0 | 0 | 0 | 0 | 112.9 | K5 A6 V13 | K5-C9 WeakPolarHBondContact O-CB 3.46Å; K5-C9 PolarHBondContact O-N 3.03Å; K5-C9 PolarHBondContact O-SG 3.08Å; K5-C9 VanDerWaalsContact O-SG 3.36Å; A6-C9 PolarHBondContact O-N 2.94Å; C9-V13 WeakPolarHBondContact O-CB 3.18Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.02Å |
| 10 | D | 69.6 | Low | 67.5 | Low | 61 Ų | 61 | 84 Ų | 84 | 33% | 0.326 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 176 | -171.6 | 62.2 | 0 | 0 | 0 | 111.9 | A6 L7 M8 K14 | A6-D10 WeakPolarHBondContact O-CB 3.08Å; A6-D10 PolarHBondContact O-N 3.09Å; L7-D10 PolarHBondContact O-N 2.61Å; M8-D10 VanDerWaalsContact C-N 3.33Å; M8-D10 PolarHBondContact O-N 3.34Å; D10-K14 WeakPolarHBondContact O-CB 3.41Å; D10-K14 WeakPolarHBondContact O-CD 3.33Å; D10-K14 VanDerWaalsContact O-CG 3.29Å; D10-K14 WeakPolarHBondContact O-CG 3.26Å; D10-K14 PolarHBondContact O-N 2.79Å; D10-K14 VanDerWaalsContact OD2-CE 3.27Å; D10-K14 WeakPolarHBondContact OD2-CE 2.96Å; D10-K14 IonicContact OD2-NZ 2.65Å; D10-K14 PolarHBondContact OD2-NZ 2.71Å |
| 11 | S | 73.3 | Confident | 67.7 | Low | 48 Ų | 48 | 85.3 Ų | 85.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 172.9 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | L7 M8 V13 K14 N15 | L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.26Å; L7-S11 PolarHBondContact O-N 3.02Å; L7-S11 PolarHBondContact O-OG 3.08Å; M8-S11 PolarHBondContact O-N 3.23Å; M8-S11 VanDerWaalsContact O-N 3.12Å; M8-S11 PolarHBondContact O-OG 2.94Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 2.79Å; S11-K14 PolarHBondContact O-N 3.37Å; S11-N15 WeakPolarHBondContact O-CB 3.21Å; S11-N15 PolarHBondContact O-N 2.97Å; S11-N15 PolarHBondContact O-ND2 2.69Å |
| 12 | E | 72.1 | Confident | 68.9 | Low | 95 Ų | 95 | 81.6 Ų | 81.6 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.4 | -73.9 | 177.1 | 166.3 | 0 | 0 | 110.7 | M8 N15 I16 | M8-E12 WeakPolarHBondContact CE-OE1 3.39Å; M8-E12 WeakPolarHBondContact O-CG 3.33Å; M8-E12 PolarHBondContact O-N 3.07Å; E12-N15 PolarHBondContact O-N 2.74Å; E12-I16 WeakPolarHBondContact O-CB 3.42Å; E12-I16 WeakPolarHBondContact O-CD1 3.2Å; E12-I16 VanDerWaalsContact O-CG1 3.22Å; E12-I16 WeakPolarHBondContact O-CG1 2.93Å; E12-I16 PolarHBondContact O-N 2.95Å |
| 13 | V | 68.7 | Low | 69.7 | Low | 39 Ų | 39 | 85.3 Ų | 85.3 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 177.7 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | C9 S11 I16 E17 V57 | C9-V13 WeakPolarHBondContact O-CB 3.18Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.02Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 2.79Å; V13-I16 PolarHBondContact O-N 3.47Å; V13-E17 PolarHBondContact O-N 2.87Å; V13-V57 HydrophobicContact CG2-CG1 4.1Å; V13-V57 HydrophobicContact CG2-CG2 4.1Å |
| 14 | K | 72.2 | Confident | 70.3 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 170.8 | -79.1 | 164.9 | 178.9 | 164.5 | 0 | 112 | D10 S11 I16 E17 E18 | D10-K14 WeakPolarHBondContact O-CB 3.41Å; D10-K14 WeakPolarHBondContact O-CD 3.33Å; D10-K14 VanDerWaalsContact O-CG 3.29Å; D10-K14 WeakPolarHBondContact O-CG 3.26Å; D10-K14 PolarHBondContact O-N 2.79Å; D10-K14 VanDerWaalsContact OD2-CE 3.27Å; D10-K14 WeakPolarHBondContact OD2-CE 2.96Å; D10-K14 IonicContact OD2-NZ 2.65Å; D10-K14 PolarHBondContact OD2-NZ 2.71Å; S11-K14 PolarHBondContact O-N 3.37Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 3.02Å; K14-E17 PolarHBondContact O-N 3.03Å; K14-E18 WeakPolarHBondContact O-CB 3.47Å; K14-E18 PolarHBondContact O-N 3.27Å |
| 15 | N | 76.4 | Confident | 70.7 | Confident | 97 Ų | 97 | 80.4 Ų | 80.4 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 175.1 | -68.3 | -19.8 | 0 | 0 | 0 | 111.3 | S11 E12 E18 D19 | S11-N15 WeakPolarHBondContact O-CB 3.21Å; S11-N15 PolarHBondContact O-N 2.97Å; S11-N15 PolarHBondContact O-ND2 2.69Å; E12-N15 PolarHBondContact O-N 2.74Å; N15-E18 PolarHBondContact O-N 3.05Å; N15-D19 WeakPolarHBondContact O-CB 3.1Å; N15-D19 PolarHBondContact O-N 3.12Å |
| 16 | I | 70.1 | Confident | 71.4 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.1 | -68.8 | 162.9 | 0 | 0 | 0 | 111.7 | E12 V13 K14 E18 L20 | E12-I16 WeakPolarHBondContact O-CB 3.42Å; E12-I16 WeakPolarHBondContact O-CD1 3.2Å; E12-I16 VanDerWaalsContact O-CG1 3.22Å; E12-I16 WeakPolarHBondContact O-CG1 2.93Å; E12-I16 PolarHBondContact O-N 2.95Å; V13-I16 PolarHBondContact O-N 3.47Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 3.02Å; I16-E18 VanDerWaalsContact C-N 3.34Å; I16-L20 HydrophobicContact CG2-CD1 4Å; I16-L20 WeakPolarHBondContact O-CB 3.2Å; I16-L20 WeakPolarHBondContact O-CD1 3.42Å; I16-L20 VanDerWaalsContact O-CG 3.22Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 2.68Å; I16-L20 VanDerWaalsContact O-N 3.16Å |
| 17 | E | 68 | Low | 71.8 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 172.3 | -82.2 | -160.4 | -166.8 | 0 | 0 | 111.8 | V13 K14 K21 R54 | V13-E17 PolarHBondContact O-N 2.87Å; K14-E17 PolarHBondContact O-N 3.03Å; E17-K21 VanDerWaalsContact O-CD 3.23Å; E17-K21 WeakPolarHBondContact O-CD 3.3Å; E17-K21 WeakPolarHBondContact O-CE 3.4Å; E17-K21 WeakPolarHBondContact O-CG 3.19Å; E17-K21 PolarHBondContact O-N 2.65Å; E17-K21 IonicContact OE2-NZ 2.66Å; E17-K21 PolarHBondContact OE2-NZ 2.79Å; E17-R54 IonicContact OE1-CZ 2.77Å; E17-R54 IonicContact OE1-NE 2.91Å; E17-R54 PolarHBondContact OE1-NE 2.85Å; E17-R54 IonicContact OE1-NH2 2.71Å; E17-R54 PolarHBondContact OE1-NH2 3.45Å; E17-R54 IonicContact OE2-NH2 3.68Å |
| 18 | E | 73.3 | Confident | 71.9 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.542 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.9 | -46 | -178.5 | -157 | 97.6 | -109.5 | 0 | 0 | 112.2 | K14 N15 I16 L20 K21 T22 | K14-E18 WeakPolarHBondContact O-CB 3.47Å; K14-E18 PolarHBondContact O-N 3.27Å; N15-E18 PolarHBondContact O-N 3.05Å; I16-E18 VanDerWaalsContact C-N 3.34Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.65Å; E18-K21 PolarHBondContact O-N 3.07Å; E18-T22 WeakPolarHBondContact O-CB 3.43Å; E18-T22 PolarHBondContact O-N 2.84Å; E18-T22 PolarHBondContact O-OG1 3.21Å |
| 19 | D | 75.7 | Confident | 72.1 | Confident | 115 Ų | 115 | 82.5 Ų | 82.5 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 174.4 | -83 | -24.8 | 0 | 0 | 0 | 111 | N15 T22 L23 | N15-D19 WeakPolarHBondContact O-CB 3.1Å; N15-D19 PolarHBondContact O-N 3.12Å; D19-T22 PolarHBondContact O-N 2.74Å; D19-L23 WeakPolarHBondContact O-CB 3.43Å; D19-L23 PolarHBondContact O-N 2.61Å |
| 20 | L | 68.8 | Low | 72.4 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 34% | 0.335 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.5 | -39.5 | 178.6 | -72.6 | 172.1 | 0 | 0 | 0 | 112.7 | I16 E18 T22 L23 F24 L50 | I16-L20 HydrophobicContact CG2-CD1 4Å; I16-L20 WeakPolarHBondContact O-CB 3.2Å; I16-L20 WeakPolarHBondContact O-CD1 3.42Å; I16-L20 VanDerWaalsContact O-CG 3.22Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 2.68Å; I16-L20 VanDerWaalsContact O-N 3.16Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.65Å; L20-T22 VanDerWaalsContact C-N 3.33Å; L20-L23 PolarHBondContact O-N 2.86Å; L20-F24 WeakPolarHBondContact O-CB 3.02Å; L20-F24 PolarHBondContact O-N 2.92Å; L20-L50 HydrophobicContact CD1-CD1 4.45Å; L20-L50 HydrophobicContact CD1-CD2 3.66Å |
| 21 | K | 70.7 | Confident | 72.6 | Confident | 111 Ų | 111 | 84.8 Ų | 84.8 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 171.9 | -72 | 158.4 | -162.6 | 161.6 | 0 | 110.7 | E17 E18 F24 A25 | E17-K21 VanDerWaalsContact O-CD 3.23Å; E17-K21 WeakPolarHBondContact O-CD 3.3Å; E17-K21 WeakPolarHBondContact O-CE 3.4Å; E17-K21 WeakPolarHBondContact O-CG 3.19Å; E17-K21 PolarHBondContact O-N 2.65Å; E17-K21 IonicContact OE2-NZ 2.66Å; E17-K21 PolarHBondContact OE2-NZ 2.79Å; E18-K21 PolarHBondContact O-N 3.07Å; K21-F24 PolarHBondContact O-N 3.29Å; K21-A25 WeakPolarHBondContact O-CB 3.22Å; K21-A25 PolarHBondContact O-N 3.49Å |
| 22 | T | 75.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 86 Ų | 86 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | E18 D19 L20 F24 A25 N26 | E18-T22 WeakPolarHBondContact O-CB 3.43Å; E18-T22 PolarHBondContact O-N 2.84Å; E18-T22 PolarHBondContact O-OG1 3.21Å; D19-T22 PolarHBondContact O-N 2.74Å; L20-T22 VanDerWaalsContact C-N 3.33Å; T22-F24 PolarHBondContact O-N 2.92Å; T22-A25 PolarHBondContact O-N 3.46Å; T22-N26 WeakPolarHBondContact O-CB 3.02Å; T22-N26 VanDerWaalsContact O-CG 3.26Å; T22-N26 PolarHBondContact O-N 3.38Å; T22-N26 PolarHBondContact O-ND2 2.75Å |
| 23 | L | 74.8 | Confident | 72.7 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 174.7 | -165.2 | 79.9 | 0 | 0 | 0 | 111.6 | D19 L20 T27 | D19-L23 WeakPolarHBondContact O-CB 3.43Å; D19-L23 PolarHBondContact O-N 2.61Å; L20-L23 PolarHBondContact O-N 2.86Å; L23-T27 WeakPolarHBondContact O-CB 3.08Å; L23-T27 PolarHBondContact O-N 2.65Å; L23-T27 PolarHBondContact O-OG1 2.7Å |
| 24 | F | 71.6 | Confident | 72.8 | Confident | 87 Ų | 87 | 92.3 Ų | 92.3 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 178.6 | -166.8 | -89.8 | 0 | 0 | 0 | 111.8 | L20 K21 T22 N26 T27 Q28 F38 | L20-F24 WeakPolarHBondContact O-CB 3.02Å; L20-F24 PolarHBondContact O-N 2.92Å; K21-F24 PolarHBondContact O-N 3.29Å; T22-F24 PolarHBondContact O-N 2.92Å; F24-N26 PolarHBondContact O-N 2.94Å; F24-T27 PolarHBondContact O-N 2.92Å; F24-Q28 WeakPolarHBondContact O-CB 2.7Å; F24-Q28 PolarHBondContact O-N 2.96Å; F24-F38 HydrophobicContact CE2-CZ 4.37Å; F24-F38 HydrophobicContact CZ-CE1 4.2Å; F24-F38 HydrophobicContact CZ-CZ 4.25Å |
| 25 | A | 72.5 | Confident | 72.2 | Confident | 51 Ų | 51 | 90.4 Ų | 90.4 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K21 T22 Q28 Q29 | K21-A25 WeakPolarHBondContact O-CB 3.22Å; K21-A25 PolarHBondContact O-N 3.49Å; T22-A25 PolarHBondContact O-N 3.46Å; A25-Q28 PolarHBondContact O-N 3.4Å; A25-Q29 WeakPolarHBondContact O-CB 2.83Å; A25-Q29 PolarHBondContact O-N 3.11Å |
| 26 | N | 76.8 | Confident | 71.6 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 174.6 | -74 | -26.6 | 0 | 0 | 0 | 111.4 | T22 F24 Q28 Q29 D30 | T22-N26 WeakPolarHBondContact O-CB 3.02Å; T22-N26 VanDerWaalsContact O-CG 3.26Å; T22-N26 PolarHBondContact O-N 3.38Å; T22-N26 PolarHBondContact O-ND2 2.75Å; F24-N26 PolarHBondContact O-N 2.94Å; N26-Q28 PolarHBondContact O-N 2.9Å; N26-Q29 PolarHBondContact O-N 3.36Å; N26-D30 PolarHBondContact O-N 3.44Å |
| 27 | T | 71 | Confident | 71.1 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.9 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | L23 F24 Q29 D30 F31 F38 | L23-T27 WeakPolarHBondContact O-CB 3.08Å; L23-T27 PolarHBondContact O-N 2.65Å; L23-T27 PolarHBondContact O-OG1 2.7Å; F24-T27 PolarHBondContact O-N 2.92Å; T27-Q29 VanDerWaalsContact C-N 3.31Å; T27-Q29 PolarHBondContact O-N 2.93Å; T27-D30 PolarHBondContact O-N 2.72Å; T27-F31 HydrophobicContact CG2-CD2 4.23Å; T27-F31 HydrophobicContact CG2-CE2 4.13Å; T27-F31 WeakPolarHBondContact O-CD2 2.84Å; T27-F31 PolarHBondContact O-N 3.42Å; T27-F31 VanDerWaalsContact O-N 3.15Å; T27-F38 HydrophobicContact CG2-CE2 4.16Å |
| 28 | Q | 70.4 | Confident | 70.8 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 177.2 | -166.1 | 179.5 | 17.5 | 0 | 0 | 112.1 | F24 A25 N26 A32 F38 | F24-Q28 WeakPolarHBondContact O-CB 2.7Å; F24-Q28 PolarHBondContact O-N 2.96Å; A25-Q28 PolarHBondContact O-N 3.4Å; N26-Q28 PolarHBondContact O-N 2.9Å; Q28-A32 PolarHBondContact O-N 2.84Å; Q28-F38 HydrophobicContact CB-CD2 4.34Å; Q28-F38 HydrophobicContact CB-CE2 4.28Å; Q28-F38 HydrophobicContact CG-CD2 4.25Å |
| 29 | Q | 73.8 | Confident | 70.2 | Confident | 111 Ų | 111 | 88.5 Ų | 88.5 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 176.4 | -160.3 | -166.5 | 83.3 | 0 | 0 | 112.6 | A25 N26 T27 A32 K33 | A25-Q29 WeakPolarHBondContact O-CB 2.83Å; A25-Q29 PolarHBondContact O-N 3.11Å; N26-Q29 PolarHBondContact O-N 3.36Å; T27-Q29 VanDerWaalsContact C-N 3.31Å; T27-Q29 PolarHBondContact O-N 2.93Å; Q29-A32 WeakPolarHBondContact O-CB 3.23Å; Q29-A32 PolarHBondContact O-N 2.89Å; Q29-K33 WeakPolarHBondContact O-CG 3.27Å; Q29-K33 PolarHBondContact O-N 3.5Å; Q29-K33 VanDerWaalsContact O-N 3.08Å |
| 30 | D | 75.6 | Confident | 69.3 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73 | -35.6 | 179 | -75.7 | -18.2 | 0 | 0 | 0 | 113 | N26 T27 A32 K33 L34 | N26-D30 PolarHBondContact O-N 3.44Å; T27-D30 PolarHBondContact O-N 2.72Å; D30-A32 VanDerWaalsContact C-N 3.32Å; D30-A32 PolarHBondContact O-N 3.19Å; D30-K33 PolarHBondContact O-N 2.78Å; D30-K33 WeakPolarHBondContact OD1-CD 3.39Å; D30-K33 IonicContact OD1-NZ 2.77Å; D30-K33 PolarHBondContact OD1-NZ 3.41Å; D30-L34 WeakPolarHBondContact O-CG 3.35Å; D30-L34 PolarHBondContact O-N 3.28Å |
| 31 | F | 74.2 | Confident | 68.5 | Low | 69 Ų | 69 | 92.2 Ų | 92.2 | 30% | 0.303 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 167.7 | -88.9 | -95.7 | 0 | 0 | 0 | 111.9 | T27 K33 L34 G35 V36 F38 P39 | T27-F31 HydrophobicContact CG2-CD2 4.23Å; T27-F31 HydrophobicContact CG2-CE2 4.13Å; T27-F31 WeakPolarHBondContact O-CD2 2.84Å; T27-F31 PolarHBondContact O-N 3.42Å; T27-F31 VanDerWaalsContact O-N 3.15Å; F31-K33 VanDerWaalsContact C-N 3.35Å; F31-K33 PolarHBondContact O-N 2.78Å; F31-L34 PolarHBondContact O-N 3.44Å; F31-L34 VanDerWaalsContact O-N 3.11Å; F31-G35 PolarHBondContact O-N 2.74Å; F31-V36 HydrophobicContact CD1-CB 4.48Å; F31-V36 HydrophobicContact CD1-CG1 4.37Å; F31-V36 PolarHBondContact O-N 3.43Å; F31-F38 HydrophobicContact CB-CB 4.45Å; F31-F38 HydrophobicContact CB-CD2 3.87Å; F31-F38 HydrophobicContact CD1-CD2 4.37Å; F31-F38 AromaticContact CD2-CD2 3.61Å; F31-F38 HydrophobicContact CD2-CD2 3.61Å; F31-F38 AromaticContact CD2-CE2 3.81Å; F31-F38 HydrophobicContact CD2-CE2 3.81Å; F31-F38 HydrophobicContact CE2-CD2 4.22Å; F31-F38 HydrophobicContact CE2-CE2 4.14Å; F31-F38 AromaticContact CG-CD2 3.7Å; F31-F38 HydrophobicContact CG-CD2 3.7Å; F31-F38 HydrophobicContact CG-CE2 4.37Å; F31-P39 HydrophobicContact CE1-CG 4.44Å |
| 32 | A | 70.4 | Confident | 67.5 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q28 Q29 D30 L34 G35 | Q28-A32 PolarHBondContact O-N 2.84Å; Q29-A32 WeakPolarHBondContact O-CB 3.23Å; Q29-A32 PolarHBondContact O-N 2.89Å; D30-A32 VanDerWaalsContact C-N 3.32Å; D30-A32 PolarHBondContact O-N 3.19Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 PolarHBondContact O-N 3.45Å; A32-G35 PolarHBondContact O-N 2.96Å |
| 33 | K | 75.2 | Confident | 66.5 | Low | 133 Ų | 133 | 90.8 Ų | 90.8 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -29.1 | 173.9 | -68.2 | 166.1 | -161.5 | 156.6 | 0 | 113.1 | Q29 D30 F31 G35 | Q29-K33 WeakPolarHBondContact O-CG 3.27Å; Q29-K33 PolarHBondContact O-N 3.5Å; Q29-K33 VanDerWaalsContact O-N 3.08Å; D30-K33 PolarHBondContact O-N 2.78Å; D30-K33 WeakPolarHBondContact OD1-CD 3.39Å; D30-K33 IonicContact OD1-NZ 2.77Å; D30-K33 PolarHBondContact OD1-NZ 3.41Å; F31-K33 VanDerWaalsContact C-N 3.35Å; F31-K33 PolarHBondContact O-N 2.78Å; K33-G35 VanDerWaalsContact C-N 3.32Å |
| 34 | L | 72.6 | Confident | 65.8 | Low | 133 Ų | 133 | 90.1 Ų | 90.1 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.7 | 179.8 | -69.8 | 167.7 | 0 | 0 | 0 | 113.7 | D30 F31 A32 V36 | D30-L34 WeakPolarHBondContact O-CG 3.35Å; D30-L34 PolarHBondContact O-N 3.28Å; F31-L34 PolarHBondContact O-N 3.44Å; F31-L34 VanDerWaalsContact O-N 3.11Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 PolarHBondContact O-N 3.45Å; L34-V36 HydrophobicContact CB-CG2 4.36Å; L34-V36 PolarHBondContact O-N 2.7Å |
| 35 | G | 59.1 | Low | 65.2 | Low | 74 Ų | 74 | 90 Ų | 90 | 76% | 0.763 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 19.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F31 A32 K33 | F31-G35 PolarHBondContact O-N 2.74Å; A32-G35 PolarHBondContact O-N 2.96Å; K33-G35 VanDerWaalsContact C-N 3.32Å |
| 36 | V | 64 | Low | 64.5 | Low | 80 Ų | 80 | 92.1 Ų | 92.1 | 49% | 0.485 | 54% | 0.541 | S | S | . | . | trans | -110.3 | 129 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | F31 L34 F38 | F31-V36 HydrophobicContact CD1-CB 4.48Å; F31-V36 HydrophobicContact CD1-CG1 4.37Å; F31-V36 PolarHBondContact O-N 3.43Å; L34-V36 HydrophobicContact CB-CG2 4.36Å; L34-V36 PolarHBondContact O-N 2.7Å; V36-F38 PolarHBondContact O-N 2.62Å | ||
| 37 | T | 58.9 | Low | 63.9 | Low | 127 Ų | 127 | 91 Ų | 91 | 78% | 0.779 | 54% | 0.54 | S | S | * | . | trans | -60.1 | 124.9 | 172.6 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | F | 62.2 | Low | 63.8 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 19% | 0.193 | 55% | 0.547 | C | S | . | . | trans | -56.3 | 127 | 174.9 | -166 | -89.5 | 0 | 0 | 0 | 109.7 | F24 T27 Q28 F31 V36 D40 | F24-F38 HydrophobicContact CE2-CZ 4.37Å; F24-F38 HydrophobicContact CZ-CE1 4.2Å; F24-F38 HydrophobicContact CZ-CZ 4.25Å; T27-F38 HydrophobicContact CG2-CE2 4.16Å; Q28-F38 HydrophobicContact CB-CD2 4.34Å; Q28-F38 HydrophobicContact CB-CE2 4.28Å; Q28-F38 HydrophobicContact CG-CD2 4.25Å; F31-F38 HydrophobicContact CB-CB 4.45Å; F31-F38 HydrophobicContact CB-CD2 3.87Å; F31-F38 HydrophobicContact CD1-CD2 4.37Å; F31-F38 AromaticContact CD2-CD2 3.61Å; F31-F38 HydrophobicContact CD2-CD2 3.61Å; F31-F38 AromaticContact CD2-CE2 3.81Å; F31-F38 HydrophobicContact CD2-CE2 3.81Å; F31-F38 HydrophobicContact CE2-CD2 4.22Å; F31-F38 HydrophobicContact CE2-CE2 4.14Å; F31-F38 AromaticContact CG-CD2 3.7Å; F31-F38 HydrophobicContact CG-CD2 3.7Å; F31-F38 HydrophobicContact CG-CE2 4.37Å; V36-F38 PolarHBondContact O-N 2.62Å; F38-D40 PolarHBondContact O-N 2.99Å | ||
| 39 | P | 59.7 | Low | 63.6 | Low | 69 Ų | 69 | 94.2 Ų | 94.2 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | trans | -73.5 | 114.7 | -176.3 | -18.8 | 32.5 | 0 | 0 | 0 | 112 | F31 A41 | F31-P39 HydrophobicContact CE1-CG 4.44Å; P39-A41 PolarHBondContact O-N 2.68Å | ||
| 40 | D | 56.8 | Low | 63.3 | Low | 157 Ų | 157 | 92.2 Ų | 92.2 | 84% | 0.84 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 2.9 | 178.7 | -63.8 | -51.5 | 0 | 0 | 0 | 115 | F38 | F38-D40 PolarHBondContact O-N 2.99Š|
| 41 | A | 51.8 | Low | 63 | Low | 99 Ų | 99 | 94.7 Ų | 94.7 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 12.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P39 | P39-A41 PolarHBondContact O-N 2.68Š|
| 42 | S | 50 | Low | 63 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -131.2 | 8.1 | -173.6 | 64.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 43 | V | 55.7 | Low | 62.9 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -79.2 | -31.9 | -172.7 | -174.4 | 0 | 0 | 0 | 0 | 113.7 | L46 S47 | V43-L46 PolarHBondContact O-N 3.21Å; V43-S47 PolarHBondContact O-N 2.75Å |
| 44 | D | 58.5 | Low | 62.6 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | -167.3 | -172.5 | 49.8 | 0 | 0 | 0 | 116.4 | L46 S47 K48 | D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 2.67Å; D44-S47 PolarHBondContact O-N 2.96Å; D44-K48 PolarHBondContact O-N 3.18Å; D44-K48 IonicContact OD1-NZ 2.7Å; D44-K48 PolarHBondContact OD1-NZ 3.31Å; D44-K48 IonicContact OD2-NZ 3.13Å; D44-K48 PolarHBondContact OD2-NZ 3.01Å |
| 45 | P | 59.2 | Low | 62.8 | Low | 84 Ų | 84 | 95 Ų | 95 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -34.3 | -177.5 | -21.1 | 34 | 0 | 0 | 0 | 113.5 | L49 | P45-L49 PolarHBondContact O-N 3.41Å |
| 46 | L | 58.2 | Low | 63.6 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.7 | -41.5 | -179.6 | -166.8 | 71.2 | 0 | 0 | 0 | 110.8 | V43 D44 K48 L49 L50 | V43-L46 PolarHBondContact O-N 3.21Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 2.67Å; L46-K48 PolarHBondContact O-N 2.94Å; L46-L49 PolarHBondContact O-N 2.72Å; L46-L50 HydrophobicContact CG-CD1 4.31Å; L46-L50 PolarHBondContact O-N 3.38Å |
| 47 | S | 64.8 | Low | 63.9 | Low | 63 Ų | 63 | 97.2 Ų | 97.2 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.2 | -161.1 | 0 | 0 | 0 | 0 | 111.8 | V43 D44 L49 L50 E51 | V43-S47 PolarHBondContact O-N 2.75Å; D44-S47 PolarHBondContact O-N 2.96Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-L49 PolarHBondContact O-N 3.18Å; S47-L50 PolarHBondContact O-N 2.97Å; S47-E51 WeakPolarHBondContact O-CB 3.27Å; S47-E51 PolarHBondContact O-N 2.81Å |
| 48 | K | 68.1 | Low | 64.6 | Low | 114 Ų | 114 | 93.8 Ų | 93.8 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 178.9 | -72.7 | -175.4 | 169.9 | 75.7 | 0 | 113.6 | D44 L46 Q52 | D44-K48 PolarHBondContact O-N 3.18Å; D44-K48 IonicContact OD1-NZ 2.7Å; D44-K48 PolarHBondContact OD1-NZ 3.31Å; D44-K48 IonicContact OD2-NZ 3.13Å; D44-K48 PolarHBondContact OD2-NZ 3.01Å; L46-K48 PolarHBondContact O-N 2.94Å; K48-Q52 PolarHBondContact O-N 2.87Å; K48-Q52 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 67.5 | Low | 65.2 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.6 | -43.2 | 175.6 | -89.6 | 165.9 | 0 | 0 | 0 | 112 | P45 L46 S47 E51 Q52 A53 | P45-L49 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 2.72Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-L49 PolarHBondContact O-N 3.18Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.82Å; L49-Q52 PolarHBondContact O-N 2.93Å; L49-A53 PolarHBondContact O-N 2.84Å |
| 50 | L | 66.5 | Low | 66 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.3 | -75.8 | 164.8 | 0 | 0 | 0 | 111.5 | L20 L46 S47 A53 R54 | L20-L50 HydrophobicContact CD1-CD1 4.45Å; L20-L50 HydrophobicContact CD1-CD2 3.66Å; L46-L50 HydrophobicContact CG-CD1 4.31Å; L46-L50 PolarHBondContact O-N 3.38Å; S47-L50 PolarHBondContact O-N 2.97Å; L50-A53 PolarHBondContact O-N 2.82Å; L50-R54 VanDerWaalsContact O-CB 3.3Å; L50-R54 WeakPolarHBondContact O-CB 3.38Å; L50-R54 PolarHBondContact O-N 3.39Å |
| 51 | E | 69.7 | Low | 66.7 | Low | 133 Ų | 133 | 90 Ų | 90 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.7 | -37.2 | -179 | -161.8 | 156.1 | -132.9 | 0 | 0 | 112.6 | S47 L49 S55 | S47-E51 WeakPolarHBondContact O-CB 3.27Å; S47-E51 PolarHBondContact O-N 2.81Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.82Å; E51-S55 WeakPolarHBondContact O-CB 3.32Å; E51-S55 PolarHBondContact O-N 2.86Å |
| 52 | Q | 74.3 | Confident | 67.9 | Low | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 169.6 | -80.4 | -162.5 | -6.8 | 0 | 0 | 113.3 | K48 L49 K56 | K48-Q52 PolarHBondContact O-N 2.87Å; K48-Q52 VanDerWaalsContact O-N 3.11Å; L49-Q52 PolarHBondContact O-N 2.93Å; Q52-K56 PolarHBondContact O-N 2.67Å |
| 53 | A | 67.7 | Low | 69.1 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 L50 S55 K56 V57 | L49-A53 PolarHBondContact O-N 2.84Å; L50-A53 PolarHBondContact O-N 2.82Å; A53-S55 VanDerWaalsContact C-N 3.31Å; A53-S55 PolarHBondContact O-N 3.08Å; A53-K56 PolarHBondContact O-N 3.29Å; A53-K56 VanDerWaalsContact O-N 3.15Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.02Å |
| 54 | R | 69.3 | Low | 70 | Confident | 154 Ų | 154 | 88.3 Ų | 88.3 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.2 | -41.2 | 177.5 | -156.8 | 178.5 | -149.3 | -136.4 | 4.2 | 112.3 | E17 L50 S58 | E17-R54 IonicContact OE1-CZ 2.77Å; E17-R54 IonicContact OE1-NE 2.91Å; E17-R54 PolarHBondContact OE1-NE 2.85Å; E17-R54 IonicContact OE1-NH2 2.71Å; E17-R54 PolarHBondContact OE1-NH2 3.45Å; E17-R54 IonicContact OE2-NH2 3.68Å; L50-R54 VanDerWaalsContact O-CB 3.3Å; L50-R54 WeakPolarHBondContact O-CB 3.38Å; L50-R54 PolarHBondContact O-N 3.39Å; R54-S58 VanDerWaalsContact O-CB 3.29Å; R54-S58 WeakPolarHBondContact O-CB 3.35Å; R54-S58 PolarHBondContact O-N 3.47Å |
| 55 | S | 76.2 | Confident | 70.7 | Confident | 80 Ų | 80 | 88.1 Ų | 88.1 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.4 | -48.9 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | E51 A53 S58 A59 | E51-S55 WeakPolarHBondContact O-CB 3.32Å; E51-S55 PolarHBondContact O-N 2.86Å; A53-S55 VanDerWaalsContact C-N 3.31Å; A53-S55 PolarHBondContact O-N 3.08Å; S55-S58 PolarHBondContact O-N 2.86Å; S55-A59 PolarHBondContact O-N 3.09Å; S55-A59 VanDerWaalsContact O-N 3.07Å |
| 56 | K | 76.2 | Confident | 71.3 | Confident | 154 Ų | 154 | 86.7 Ų | 86.7 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.9 | -40.8 | 179.9 | -73.3 | -178.8 | 178.1 | 177.7 | 0 | 112.8 | Q52 A53 A59 H60 | Q52-K56 PolarHBondContact O-N 2.67Å; A53-K56 PolarHBondContact O-N 3.29Å; A53-K56 VanDerWaalsContact O-N 3.15Å; K56-A59 PolarHBondContact O-N 2.88Å; K56-H60 PolarHBondContact O-N 3.44Å |
| 57 | V | 70.5 | Confident | 72.1 | Confident | 46 Ų | 46 | 86.1 Ų | 86.1 | 28% | 0.279 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.3 | -50.3 | 173.3 | 171 | 0 | 0 | 0 | 0 | 109.9 | V13 A53 A59 H60 V61 | V13-V57 HydrophobicContact CG2-CG1 4.1Å; V13-V57 HydrophobicContact CG2-CG2 4.1Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.02Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 3.08Å; V57-H60 PolarHBondContact O-N 3.12Å; V57-V61 HydrophobicContact CG1-CG2 3.92Å; V57-V61 WeakPolarHBondContact O-CB 3.14Å; V57-V61 WeakPolarHBondContact O-CG2 3.26Å; V57-V61 PolarHBondContact O-N 3.33Å |
| 58 | S | 73 | Confident | 72.5 | Confident | 55 Ų | 55 | 83.7 Ų | 83.7 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | -179.3 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | R54 S55 K62 | R54-S58 VanDerWaalsContact O-CB 3.29Å; R54-S58 WeakPolarHBondContact O-CB 3.35Å; R54-S58 PolarHBondContact O-N 3.47Å; S55-S58 PolarHBondContact O-N 2.86Å; S58-K62 WeakPolarHBondContact O-CB 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.32Å; S58-K62 PolarHBondContact O-N 2.82Å |
| 59 | A | 76.4 | Confident | 72.8 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S55 K56 V57 S63 | S55-A59 PolarHBondContact O-N 3.09Å; S55-A59 VanDerWaalsContact O-N 3.07Å; K56-A59 PolarHBondContact O-N 2.88Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 3.08Å; A59-S63 PolarHBondContact O-N 2.82Å; A59-S63 VanDerWaalsContact O-N 3.17Å |
| 60 | H | 75 | Confident | 73.1 | Confident | 111 Ų | 111 | 78 Ų | 78 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.7 | -43.1 | 177.6 | -170.5 | 46.3 | 0 | 0 | 0 | 112.4 | K56 V57 K62 S63 L64 | K56-H60 PolarHBondContact O-N 3.44Å; V57-H60 PolarHBondContact O-N 3.12Å; H60-K62 PolarHBondContact O-N 3.41Å; H60-S63 WeakPolarHBondContact O-CB 3.37Å; H60-S63 PolarHBondContact O-N 2.86Å; H60-S63 VanDerWaalsContact O-N 3.12Å; H60-L64 WeakPolarHBondContact O-CG 3.1Å; H60-L64 PolarHBondContact O-N 2.91Å |
| 61 | V | 73.1 | Confident | 73.7 | Confident | 18 Ų | 18 | 81.7 Ų | 81.7 | 11% | 0.109 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | V57 S63 L64 E65 | V57-V61 HydrophobicContact CG1-CG2 3.92Å; V57-V61 WeakPolarHBondContact O-CB 3.14Å; V57-V61 WeakPolarHBondContact O-CG2 3.26Å; V57-V61 PolarHBondContact O-N 3.33Å; V61-S63 VanDerWaalsContact C-N 3.26Å; V61-S63 PolarHBondContact O-N 2.88Å; V61-L64 CarbonylContact O-C 3.58Å; V61-L64 WeakPolarHBondContact O-CA 3.21Å; V61-L64 WeakPolarHBondContact O-CB 3.18Å; V61-L64 PolarHBondContact O-N 2.86Å; V61-E65 HydrophobicContact CG1-CG 4.16Å; V61-E65 WeakPolarHBondContact O-CG 3.36Å; V61-E65 PolarHBondContact O-N 3.39Å |
| 62 | K | 76.2 | Confident | 74.1 | Confident | 132 Ų | 132 | 80.1 Ų | 80.1 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.9 | -34.1 | 174.9 | -75 | 176.2 | 178.1 | -175.8 | 0 | 114.1 | S58 H60 E65 A66 | S58-K62 WeakPolarHBondContact O-CB 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.32Å; S58-K62 PolarHBondContact O-N 2.82Å; H60-K62 PolarHBondContact O-N 3.41Å; K62-E65 WeakPolarHBondContact CA-OE2 2.91Å; K62-A66 WeakPolarHBondContact O-CB 3.26Å; K62-A66 PolarHBondContact O-N 3.44Å |
| 63 | S | 75.7 | Confident | 74.5 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.2 | -31.6 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | A59 H60 V61 N67 | A59-S63 PolarHBondContact O-N 2.82Å; A59-S63 VanDerWaalsContact O-N 3.17Å; H60-S63 WeakPolarHBondContact O-CB 3.37Å; H60-S63 PolarHBondContact O-N 2.86Å; H60-S63 VanDerWaalsContact O-N 3.12Å; V61-S63 VanDerWaalsContact C-N 3.26Å; V61-S63 PolarHBondContact O-N 2.88Å; S63-N67 WeakPolarHBondContact O-CB 3.18Å; S63-N67 PolarHBondContact O-N 2.61Å; S63-N67 PolarHBondContact O-ND2 3.23Å |
| 64 | L | 73.4 | Confident | 75.2 | Confident | 25 Ų | 25 | 78 Ų | 78 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.2 | -37.8 | 173.6 | -69 | 172.5 | 0 | 0 | 0 | 111.5 | A6 H60 V61 A68 | A6-L64 HydrophobicContact CB-CB 4.39Å; H60-L64 WeakPolarHBondContact O-CG 3.1Å; H60-L64 PolarHBondContact O-N 2.91Å; V61-L64 CarbonylContact O-C 3.58Å; V61-L64 WeakPolarHBondContact O-CA 3.21Å; V61-L64 WeakPolarHBondContact O-CB 3.18Å; V61-L64 PolarHBondContact O-N 2.86Å; L64-A68 VanDerWaalsContact O-CB 3.23Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 2.86Å |
| 65 | E | 73.2 | Confident | 75.9 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -51.4 | 173.9 | -71 | 169 | 151.3 | 0 | 0 | 110.9 | V61 K62 N67 A68 E69 | V61-E65 HydrophobicContact CG1-CG 4.16Å; V61-E65 WeakPolarHBondContact O-CG 3.36Å; V61-E65 PolarHBondContact O-N 3.39Å; K62-E65 WeakPolarHBondContact CA-OE2 2.91Å; E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.99Å; E65-A68 CarbonylContact O-C 3.38Å; E65-A68 WeakPolarHBondContact O-CB 3.03Å; E65-A68 PolarHBondContact O-N 2.71Å; E65-A68 VanDerWaalsContact O-N 3.09Å; E65-E69 PolarHBondContact O-N 2.69Å |
| 66 | A | 73.3 | Confident | 76.3 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K62 E69 A70 | K62-A66 WeakPolarHBondContact O-CB 3.26Å; K62-A66 PolarHBondContact O-N 3.44Å; A66-E69 PolarHBondContact O-N 2.86Å; A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.45Å |
| 67 | N | 73.9 | Confident | 76.8 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 174.5 | -74.8 | -13.1 | 0 | 0 | 0 | 112.3 | S63 E65 R71 | S63-N67 WeakPolarHBondContact O-CB 3.18Å; S63-N67 PolarHBondContact O-N 2.61Å; S63-N67 PolarHBondContact O-ND2 3.23Å; E65-N67 VanDerWaalsContact C-N 3.34Å; E65-N67 PolarHBondContact O-N 2.99Å; N67-R71 VanDerWaalsContact O-CB 3.24Å; N67-R71 WeakPolarHBondContact O-CB 2.85Å; N67-R71 PolarHBondContact O-N 3.25Å; N67-R71 VanDerWaalsContact O-N 3.14Å |
| 68 | A | 73.1 | Confident | 77.5 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.2 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | K3 L64 E65 A70 R71 E72 | K3-A68 HydrophobicContact CB-CB 4.48Å; L64-A68 VanDerWaalsContact O-CB 3.23Å; L64-A68 WeakPolarHBondContact O-CB 3.28Å; L64-A68 PolarHBondContact O-N 2.86Å; E65-A68 CarbonylContact O-C 3.38Å; E65-A68 WeakPolarHBondContact O-CB 3.03Å; E65-A68 PolarHBondContact O-N 2.71Å; E65-A68 VanDerWaalsContact O-N 3.09Å; A68-A70 PolarHBondContact O-N 3.13Å; A68-R71 CarbonylContact O-C 2.99Å; A68-R71 PolarHBondContact O-N 3.41Å; A68-E72 VanDerWaalsContact O-CB 3.24Å; A68-E72 WeakPolarHBondContact O-CB 3.19Å; A68-E72 PolarHBondContact O-N 3.39Å |
| 69 | E | 75.1 | Confident | 78.2 | Confident | 94 Ų | 94 | 69.3 Ų | 69.3 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.2 | -79.7 | -170.2 | -146.3 | 0 | 0 | 112.8 | E65 A66 R71 E72 R73 | E65-E69 PolarHBondContact O-N 2.69Å; A66-E69 PolarHBondContact O-N 2.86Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 2.76Å; E69-E72 PolarHBondContact O-N 2.97Å; E69-R73 WeakPolarHBondContact O-CG 3.49Å; E69-R73 PolarHBondContact O-N 2.88Å; E69-R73 IonicContact OE2-CZ 2.65Å; E69-R73 VanDerWaalsContact OE2-CZ 3.23Å; E69-R73 IonicContact OE2-NH1 3.11Å; E69-R73 PolarHBondContact OE2-NH1 2.8Å; E69-R73 IonicContact OE2-NH2 3.88Å; E69-R73 PolarHBondContact OE2-NH2 2.95Å |
| 70 | A | 74 | Confident | 78.7 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A66 A68 L74 Q141 | A66-A70 WeakPolarHBondContact O-CB 3.49Å; A66-A70 PolarHBondContact O-N 3.45Å; A68-A70 PolarHBondContact O-N 3.13Å; A70-L74 WeakPolarHBondContact O-CB 3.26Å; A70-L74 PolarHBondContact O-N 2.94Å; A70-Q141 HydrophobicContact CB-CB 4.2Å |
| 71 | R | 78.2 | Confident | 79.4 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.3 | -33.2 | 176.5 | -164.2 | 175 | -161.9 | 160.1 | 12.9 | 112.9 | D2 N67 A68 E69 N75 | D2-R71 IonicContact OD2-NH1 3.36Å; D2-R71 PolarHBondContact OD2-NH1 3.28Å; N67-R71 VanDerWaalsContact O-CB 3.24Å; N67-R71 WeakPolarHBondContact O-CB 2.85Å; N67-R71 PolarHBondContact O-N 3.25Å; N67-R71 VanDerWaalsContact O-N 3.14Å; A68-R71 CarbonylContact O-C 2.99Å; A68-R71 PolarHBondContact O-N 3.41Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 2.76Å; R71-N75 VanDerWaalsContact O-CB 3.31Å; R71-N75 WeakPolarHBondContact O-CB 3.15Å; R71-N75 PolarHBondContact O-N 3.31Å; R71-N75 PolarHBondContact O-ND2 3.14Å; R71-N75 PolarHBondContact O-OD1 3.46Å |
| 72 | E | 79.4 | Confident | 80.1 | Confident | 100 Ų | 100 | 66 Ų | 66 | 47% | 0.467 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 176.4 | -163.5 | 159.7 | 166.5 | 0 | 0 | 110.4 | K3 A68 E69 N75 S76 | K3-E72 IonicContact NZ-OE1 2.95Å; K3-E72 PolarHBondContact NZ-OE1 2.91Å; K3-E72 IonicContact NZ-OE2 2.78Å; K3-E72 PolarHBondContact NZ-OE2 2.95Å; A68-E72 VanDerWaalsContact O-CB 3.24Å; A68-E72 WeakPolarHBondContact O-CB 3.19Å; A68-E72 PolarHBondContact O-N 3.39Å; E69-E72 PolarHBondContact O-N 2.97Å; E72-N75 PolarHBondContact O-N 2.99Å; E72-S76 WeakPolarHBondContact O-CB 3.26Å; E72-S76 PolarHBondContact O-N 3.03Å |
| 73 | R | 81.3 | Confident | 80.7 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 169.6 | -71 | 171.3 | -176.9 | 119 | 17.7 | 112.3 | E69 S76 F77 | E69-R73 WeakPolarHBondContact O-CG 3.49Å; E69-R73 PolarHBondContact O-N 2.88Å; E69-R73 IonicContact OE2-CZ 2.65Å; E69-R73 VanDerWaalsContact OE2-CZ 3.23Å; E69-R73 IonicContact OE2-NH1 3.11Å; E69-R73 PolarHBondContact OE2-NH1 2.8Å; E69-R73 IonicContact OE2-NH2 3.88Å; E69-R73 PolarHBondContact OE2-NH2 2.95Å; R73-S76 PolarHBondContact O-N 2.84Å; R73-F77 WeakPolarHBondContact O-CB 3.1Å; R73-F77 PolarHBondContact O-N 2.63Å |
| 74 | L | 83.1 | Confident | 81.5 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.5 | -178.5 | 61.2 | 0 | 0 | 0 | 112.2 | A70 F77 I78 V138 V142 D147 V151 | A70-L74 WeakPolarHBondContact O-CB 3.26Å; A70-L74 PolarHBondContact O-N 2.94Å; L74-F77 PolarHBondContact O-N 3.05Å; L74-I78 HydrophobicContact CD1-CD1 4.34Å; L74-I78 HydrophobicContact CG-CD1 4.08Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.34Å; L74-V138 HydrophobicContact CD1-CG1 4.05Å; L74-V142 HydrophobicContact CD1-CG2 4.39Å; L74-V142 HydrophobicContact CD2-CG2 4.44Å; L74-D147 HydrophobicContact CD2-CB 4.42Å; L74-V151 HydrophobicContact CD1-CG2 3.76Å |
| 75 | N | 83.7 | Confident | 82.2 | Confident | 94 Ų | 94 | 63 Ų | 63 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.6 | -72.3 | -10.6 | 0 | 0 | 0 | 111.9 | R71 E72 F77 I78 A79 | R71-N75 VanDerWaalsContact O-CB 3.31Å; R71-N75 WeakPolarHBondContact O-CB 3.15Å; R71-N75 PolarHBondContact O-N 3.31Å; R71-N75 PolarHBondContact O-ND2 3.14Å; R71-N75 PolarHBondContact O-OD1 3.46Å; E72-N75 PolarHBondContact O-N 2.99Å; N75-F77 VanDerWaalsContact C-N 3.34Å; N75-I78 PolarHBondContact O-N 3.03Å; N75-A79 WeakPolarHBondContact O-CB 3.17Å; N75-A79 PolarHBondContact O-N 2.86Å |
| 76 | S | 84 | Confident | 83 | Confident | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176 | -167.3 | 0 | 0 | 0 | 0 | 112 | E72 R73 A79 C80 | E72-S76 WeakPolarHBondContact O-CB 3.26Å; E72-S76 PolarHBondContact O-N 3.03Å; R73-S76 PolarHBondContact O-N 2.84Å; S76-A79 PolarHBondContact O-N 2.7Å; S76-C80 WeakPolarHBondContact O-CB 3.22Å; S76-C80 PolarHBondContact O-N 2.85Å |
| 77 | F | 87.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.2 | -172 | -91.2 | 0 | 0 | 0 | 111.2 | R73 L74 N75 A79 C80 T81 L131 V138 V151 V155 | R73-F77 WeakPolarHBondContact O-CB 3.1Å; R73-F77 PolarHBondContact O-N 2.63Å; L74-F77 PolarHBondContact O-N 3.05Å; N75-F77 VanDerWaalsContact C-N 3.34Å; F77-A79 PolarHBondContact O-N 3.45Å; F77-C80 PolarHBondContact O-N 3.26Å; F77-T81 HydrophobicContact CD1-CG2 4.02Å; F77-T81 HydrophobicContact CE1-CG2 3.81Å; F77-T81 HydrophobicContact CZ-CG2 4.41Å; F77-T81 WeakPolarHBondContact O-CG2 3.35Å; F77-T81 PolarHBondContact O-N 3.44Å; F77-T81 PolarHBondContact O-OG1 2.8Å; F77-L131 HydrophobicContact CD2-CD1 3.71Å; F77-L131 HydrophobicContact CE2-CD1 3.47Å; F77-L131 VanDerWaalsContact CE2-CD1 3.47Å; F77-L131 HydrophobicContact CE2-CG 3.92Å; F77-L131 HydrophobicContact CG-CD1 4.36Å; F77-L131 HydrophobicContact CZ-CD1 3.93Å; F77-L131 HydrophobicContact CZ-CG 4.12Å; F77-V138 HydrophobicContact CB-CG2 4.09Å; F77-V138 HydrophobicContact CD2-CG2 3.77Å; F77-V138 HydrophobicContact CE2-CG2 4.48Å; F77-V138 HydrophobicContact CG-CG2 4.1Å; F77-V151 HydrophobicContact CD1-CG2 4.17Å; F77-V151 HydrophobicContact CE1-CB 4.25Å; F77-V151 HydrophobicContact CE1-CG1 3.8Å; F77-V151 HydrophobicContact CE1-CG2 4.05Å; F77-V151 HydrophobicContact CZ-CG1 3.86Å; F77-V155 HydrophobicContact CE1-CG2 4.3Å; F77-V155 HydrophobicContact CZ-CG2 3.58Å |
| 78 | I | 85.1 | Confident | 84.5 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.7 | -69 | 164.4 | 0 | 0 | 0 | 110.9 | L74 N75 C80 T81 T82 | L74-I78 HydrophobicContact CD1-CD1 4.34Å; L74-I78 HydrophobicContact CG-CD1 4.08Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.25Å; L74-I78 PolarHBondContact O-N 3.34Å; N75-I78 PolarHBondContact O-N 3.03Å; I78-C80 PolarHBondContact O-N 3.49Å; I78-T81 WeakPolarHBondContact CA-OG1 3.48Å; I78-T81 PolarHBondContact O-N 3.05Å; I78-T81 VanDerWaalsContact O-N 3.16Å; I78-T81 PolarHBondContact O-OG1 3.4Å; I78-T82 PolarHBondContact O-N 3.49Å; I78-T82 PolarHBondContact O-OG1 2.73Å |
| 79 | A | 86.4 | Confident | 85.2 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N75 S76 F77 T81 T82 E83 | N75-A79 WeakPolarHBondContact O-CB 3.17Å; N75-A79 PolarHBondContact O-N 2.86Å; S76-A79 PolarHBondContact O-N 2.7Å; F77-A79 PolarHBondContact O-N 3.45Å; A79-T81 PolarHBondContact O-N 3.27Å; A79-T82 WeakPolarHBondContact CA-OG1 3.44Å; A79-T82 PolarHBondContact O-N 3.08Å; A79-T82 PolarHBondContact O-OG1 2.76Å; A79-E83 PolarHBondContact O-N 2.72Å |
| 80 | C | 88.5 | Confident | 85.9 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | S76 F77 I78 T82 E83 L84 L131 | S76-C80 WeakPolarHBondContact O-CB 3.22Å; S76-C80 PolarHBondContact O-N 2.85Å; F77-C80 PolarHBondContact O-N 3.26Å; I78-C80 PolarHBondContact O-N 3.49Å; C80-T82 PolarHBondContact O-N 3.39Å; C80-E83 PolarHBondContact O-N 3.43Å; C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.29Å; C80-L84 PolarHBondContact O-N 2.64Å; C80-L131 HydrophobicContact CB-CD1 4.17Å |
| 81 | T | 88.1 | Confident | 86.7 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 176.8 | 60 | 0 | 0 | 0 | 0 | 113.2 | F77 I78 A79 D85 L131 V154 L158 | F77-T81 HydrophobicContact CD1-CG2 4.02Å; F77-T81 HydrophobicContact CE1-CG2 3.81Å; F77-T81 HydrophobicContact CZ-CG2 4.41Å; F77-T81 WeakPolarHBondContact O-CG2 3.35Å; F77-T81 PolarHBondContact O-N 3.44Å; F77-T81 PolarHBondContact O-OG1 2.8Å; I78-T81 WeakPolarHBondContact CA-OG1 3.48Å; I78-T81 PolarHBondContact O-N 3.05Å; I78-T81 VanDerWaalsContact O-N 3.16Å; I78-T81 PolarHBondContact O-OG1 3.4Å; A79-T81 PolarHBondContact O-N 3.27Å; T81-D85 WeakPolarHBondContact O-CB 3.43Å; T81-D85 PolarHBondContact O-N 2.77Å; T81-L131 HydrophobicContact CG2-CD1 4.07Å; T81-L131 HydrophobicContact CG2-CD2 3.71Å; T81-L131 HydrophobicContact CG2-CG 4.49Å; T81-V154 HydrophobicContact CG2-CG1 3.45Å; T81-V154 VanDerWaalsContact CG2-CG1 3.45Å; T81-L158 HydrophobicContact CG2-CD1 4.14Å |
| 82 | T | 87.7 | Confident | 87.1 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 176.9 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | I78 A79 C80 L84 D85 D86 | I78-T82 PolarHBondContact O-N 3.49Å; I78-T82 PolarHBondContact O-OG1 2.73Å; A79-T82 WeakPolarHBondContact CA-OG1 3.44Å; A79-T82 PolarHBondContact O-N 3.08Å; A79-T82 PolarHBondContact O-OG1 2.76Å; C80-T82 PolarHBondContact O-N 3.39Å; T82-L84 VanDerWaalsContact C-N 3.34Å; T82-L84 PolarHBondContact O-N 2.84Å; T82-D85 PolarHBondContact O-N 2.91Å; T82-D86 PolarHBondContact O-N 2.75Å |
| 83 | E | 89.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.1 | -166.7 | -172.7 | 160.2 | 0 | 0 | 111.4 | A79 C80 D86 E87 R127 | A79-E83 PolarHBondContact O-N 2.72Å; C80-E83 PolarHBondContact O-N 3.43Å; E83-D86 PolarHBondContact O-N 2.63Å; E83-E87 PolarHBondContact O-N 3.13Å; E83-R127 IonicContact OE1-CZ 3.15Å; E83-R127 IonicContact OE1-NH1 3.36Å; E83-R127 IonicContact OE1-NH2 3.26Å; E83-R127 PolarHBondContact OE1-NH2 2.71Å; E83-R127 IonicContact OE2-NH2 3.66Å |
| 84 | L | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -32.6 | 176.7 | -66.8 | 169.8 | 0 | 0 | 0 | 113.1 | C80 T82 E87 C88 L124 R127 I128 L131 L158 | C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.29Å; C80-L84 PolarHBondContact O-N 2.64Å; T82-L84 VanDerWaalsContact C-N 3.34Å; T82-L84 PolarHBondContact O-N 2.84Å; L84-E87 PolarHBondContact O-N 3Å; L84-C88 PolarHBondContact O-N 3.34Å; L84-C88 PolarHBondContact O-SG 3.23Å; L84-L124 HydrophobicContact CB-CD1 4.48Å; L84-L124 HydrophobicContact CD2-CD1 3.91Å; L84-R127 HydrophobicContact CD1-CB 4.48Å; L84-R127 HydrophobicContact CD2-CB 3.48Å; L84-R127 VanDerWaalsContact CD2-CB 3.48Å; L84-R127 HydrophobicContact CD2-CG 4.34Å; L84-I128 HydrophobicContact CD1-CG1 4.24Å; L84-L131 HydrophobicContact CD1-CB 4.23Å; L84-L131 HydrophobicContact CD1-CD2 4Å; L84-L158 HydrophobicContact CB-CD1 4.19Å; L84-L158 HydrophobicContact CB-CD2 4.13Å; L84-L158 HydrophobicContact CD1-CD1 4.5Å |
| 85 | D | 89.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.8 | -37.5 | 175.5 | -160.8 | 76.5 | 0 | 0 | 0 | 111.9 | T81 T82 C88 L89 L158 R161 | T81-D85 WeakPolarHBondContact O-CB 3.43Å; T81-D85 PolarHBondContact O-N 2.77Å; T82-D85 PolarHBondContact O-N 2.91Å; D85-C88 WeakPolarHBondContact O-CB 3.25Å; D85-C88 PolarHBondContact O-N 3.17Å; D85-L89 WeakPolarHBondContact O-CB 3.36Å; D85-L89 WeakPolarHBondContact O-CG 3.48Å; D85-L89 PolarHBondContact O-N 3.44Å; D85-L158 HydrophobicContact CB-CD2 3.98Å; D85-R161 WeakPolarHBondContact OD1-CD 2.78Å; D85-R161 IonicContact OD1-CZ 3.44Å; D85-R161 IonicContact OD1-NE 2.7Å; D85-R161 IonicContact OD1-NH1 3.26Å; D85-R161 PolarHBondContact OD1-NH1 3.41Å; D85-R161 IonicContact OD2-NH1 3.98Å; D85-R161 PolarHBondContact OD2-NH1 3.08Å |
| 86 | D | 89.3 | Confident | 87.2 | Confident | 96 Ų | 96 | 55 Ų | 55 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 171.2 | -92.9 | -40.6 | 0 | 0 | 0 | 112.3 | T82 E83 L89 A90 | T82-D86 PolarHBondContact O-N 2.75Å; E83-D86 PolarHBondContact O-N 2.63Å; D86-L89 PolarHBondContact O-N 2.68Å; D86-A90 WeakPolarHBondContact O-CB 3.3Å; D86-A90 PolarHBondContact O-N 3.46Å |
| 87 | E | 90 | Very high | 86.3 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 171.3 | -77.1 | -174 | -179.2 | 0 | 0 | 112.8 | E83 L84 L89 A90 L91 L124 R127 | E83-E87 PolarHBondContact O-N 3.13Å; L84-E87 PolarHBondContact O-N 3Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.28Å; E87-A90 PolarHBondContact O-N 3.36Å; E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 2.86Å; E87-L124 HydrophobicContact CB-CD1 4.14Å; E87-R127 IonicContact OE1-CZ 2.64Å; E87-R127 IonicContact OE1-NH1 3.06Å; E87-R127 PolarHBondContact OE1-NH1 2.76Å; E87-R127 IonicContact OE2-CZ 2.72Å; E87-R127 IonicContact OE2-NH1 3.2Å; E87-R127 PolarHBondContact OE2-NH1 3.03Å |
| 88 | C | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.5 | -51.6 | 168.9 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | L84 D85 A90 L91 E92 | L84-C88 PolarHBondContact O-N 3.34Å; L84-C88 PolarHBondContact O-SG 3.23Å; D85-C88 WeakPolarHBondContact O-CB 3.25Å; D85-C88 PolarHBondContact O-N 3.17Å; C88-A90 VanDerWaalsContact C-N 3.32Å; C88-A90 PolarHBondContact O-N 3.02Å; C88-L91 PolarHBondContact O-N 3.32Å; C88-E92 WeakPolarHBondContact O-CB 3.06Å; C88-E92 VanDerWaalsContact O-CG 3.27Å; C88-E92 WeakPolarHBondContact O-CG 3.48Å; C88-E92 PolarHBondContact O-N 2.86Å |
| 89 | L | 87.9 | Confident | 83.2 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 177.6 | -76.5 | 165.5 | 0 | 0 | 0 | 112.7 | D85 D86 E87 R93 R161 | D85-L89 WeakPolarHBondContact O-CB 3.36Å; D85-L89 WeakPolarHBondContact O-CG 3.48Å; D85-L89 PolarHBondContact O-N 3.44Å; D86-L89 PolarHBondContact O-N 2.68Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.28Å; L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 WeakPolarHBondContact O-CG 3.47Å; L89-R93 PolarHBondContact O-N 2.9Å; L89-R161 VanDerWaalsContact CG-NH2 3.33Å |
| 90 | A | 89.2 | Confident | 81.3 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D86 E87 C88 K94 | D86-A90 WeakPolarHBondContact O-CB 3.3Å; D86-A90 PolarHBondContact O-N 3.46Å; E87-A90 PolarHBondContact O-N 3.36Å; C88-A90 VanDerWaalsContact C-N 3.32Å; C88-A90 PolarHBondContact O-N 3.02Å; A90-K94 WeakPolarHBondContact O-CG 3.23Å; A90-K94 PolarHBondContact O-N 2.79Å |
| 91 | L | 90.9 | Very high | 78.8 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.2 | -39.3 | 176 | -66.5 | 173 | 0 | 0 | 0 | 112.1 | E87 C88 R93 K94 L95 I121 L124 L165 | E87-L91 WeakPolarHBondContact O-CG 3.32Å; E87-L91 PolarHBondContact O-N 2.86Å; C88-L91 PolarHBondContact O-N 3.32Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.26Å; L91-K94 PolarHBondContact O-N 3.01Å; L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.18Å; L91-L95 PolarHBondContact O-N 3.26Å; L91-I121 HydrophobicContact CD1-CG1 4.43Å; L91-L124 HydrophobicContact CD1-CB 4.36Å; L91-L124 HydrophobicContact CD1-CD2 4.04Å; L91-L165 HydrophobicContact CB-CD1 4.21Å; L91-L165 HydrophobicContact CB-CD2 3.68Å; L91-L165 HydrophobicContact CD1-CD2 4.03Å |
| 92 | E | 87.1 | Confident | 76.7 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 27% | 0.266 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 169.6 | -75.3 | 171.4 | -162.1 | 0 | 0 | 111.3 | C88 L95 S96 R161 L165 | C88-E92 WeakPolarHBondContact O-CB 3.06Å; C88-E92 VanDerWaalsContact O-CG 3.27Å; C88-E92 WeakPolarHBondContact O-CG 3.48Å; C88-E92 PolarHBondContact O-N 2.86Å; E92-L95 PolarHBondContact O-N 3.38Å; E92-S96 VanDerWaalsContact O-CB 3.24Å; E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 3.01Å; E92-S96 PolarHBondContact O-OG 2.71Å; E92-R161 IonicContact OE1-CZ 3.28Å; E92-R161 IonicContact OE1-NE 2.72Å; E92-R161 PolarHBondContact OE1-NE 3.32Å; E92-R161 IonicContact OE1-NH2 4Å; E92-R161 PolarHBondContact OE1-NH2 3.44Å; E92-R161 IonicContact OE2-CZ 3.5Å; E92-R161 IonicContact OE2-NH2 3.62Å; E92-R161 PolarHBondContact OE2-NH2 3.4Å; E92-L165 HydrophobicContact CG-CD1 4.15Å |
| 93 | R | 84.8 | Confident | 74.9 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 54% | 0.543 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 173.9 | -75 | 173.3 | -139.4 | 153.6 | 4.8 | 111.7 | L89 L91 L95 S96 A97 | L89-R93 WeakPolarHBondContact O-CB 3.41Å; L89-R93 WeakPolarHBondContact O-CG 3.47Å; L89-R93 PolarHBondContact O-N 2.9Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.26Å; R93-L95 VanDerWaalsContact C-N 3.27Å; R93-L95 PolarHBondContact O-N 2.84Å; R93-S96 WeakPolarHBondContact CA-OG 3.26Å; R93-S96 PolarHBondContact O-N 3.01Å; R93-S96 PolarHBondContact O-OG 2.83Å; R93-A97 WeakPolarHBondContact O-CB 3.37Å; R93-A97 PolarHBondContact O-N 2.97Å |
| 94 | K | 84.5 | Confident | 73.2 | Confident | 108 Ų | 108 | 71 Ų | 71 | 47% | 0.47 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58 | -37.1 | 176.1 | -80.3 | -175.9 | 172 | -173.7 | 0 | 113.2 | A90 L91 S116 V117 | A90-K94 WeakPolarHBondContact O-CG 3.23Å; A90-K94 PolarHBondContact O-N 2.79Å; L91-K94 PolarHBondContact O-N 3.01Å; K94-S116 PolarHBondContact NZ-OG 3.38Å; K94-V117 HydrophobicContact CB-CG2 3.96Å |
| 95 | L | 84.6 | Confident | 71.7 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -82.7 | -27.7 | -178.8 | -179.5 | 64.8 | 0 | 0 | 0 | 113.3 | L91 E92 R93 Y114 L165 A168 Y169 R172 | L91-L95 VanDerWaalsContact O-CB 3.28Å; L91-L95 WeakPolarHBondContact O-CB 3.18Å; L91-L95 PolarHBondContact O-N 3.26Å; E92-L95 PolarHBondContact O-N 3.38Å; R93-L95 VanDerWaalsContact C-N 3.27Å; R93-L95 PolarHBondContact O-N 2.84Å; L95-Y114 HydrophobicContact CD1-CE1 4.04Å; L95-L165 HydrophobicContact CD2-CD1 3.85Å; L95-A168 HydrophobicContact CD2-CB 3.69Å; L95-Y169 HydrophobicContact CD1-CD2 4.49Å; L95-R172 HydrophobicContact CD1-CB 4.19Å; L95-R172 WeakPolarHBondContact O-CD 3.24Å; L95-R172 PolarHBondContact O-NH1 3.07Å |
| 96 | S | 75.5 | Confident | 70.6 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 54% | 0.538 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -84.5 | -36.6 | 178 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | E92 R93 T98 R172 | E92-S96 VanDerWaalsContact O-CB 3.24Å; E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 3.01Å; E92-S96 PolarHBondContact O-OG 2.71Å; R93-S96 WeakPolarHBondContact CA-OG 3.26Å; R93-S96 PolarHBondContact O-N 3.01Å; R93-S96 PolarHBondContact O-OG 2.83Å; S96-T98 PolarHBondContact O-N 3.26Å; S96-R172 PolarHBondContact O-NH1 3.02Å |
| 97 | A | 65.3 | Low | 70 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | trans | -51.9 | 101.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R93 | R93-A97 WeakPolarHBondContact O-CB 3.37Å; R93-A97 PolarHBondContact O-N 2.97Å | ||
| 98 | T | 54.2 | Low | 69.3 | Low | 88 Ų | 88 | 68.9 Ų | 68.9 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | trans | -60.6 | 132.6 | 146.1 | 43.7 | 0 | 0 | 0 | 0 | 107.4 | S96 E100 | S96-T98 PolarHBondContact O-N 3.26Å; T98-E100 PolarHBondContact O-N 2.91Å | ||
| 99 | P | 53.2 | Low | 68.6 | Low | 54 Ų | 54 | 72 Ų | 72 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | trans | -49.5 | 129.1 | 172.4 | -28.6 | 36.3 | 0 | 0 | 0 | 111.1 | S101 T105 | P99-S101 PolarHBondContact O-N 3.33Å; P99-T105 HydrophobicContact CB-CG2 3.51Å; P99-T105 HydrophobicContact CG-CG2 3.82Å | ||
| 100 | E | 45.5 | Very low | 68.1 | Low | 186 Ų | 186 | 70.5 Ų | 70.5 | 87% | 0.869 | 42% | 0.418 | S | S | * | . | trans | -76.7 | 87.9 | -165.4 | -67.7 | -170.4 | 140.3 | 0 | 0 | 112.1 | T98 G102 | T98-E100 PolarHBondContact O-N 2.91Å; E100-G102 VanDerWaalsContact C-N 3.33Å; E100-G102 PolarHBondContact O-N 3.03Å; E100-G102 VanDerWaalsContact O-N 3.1Å | ||
| 101 | S | 37.3 | Very low | 67.8 | Low | 128 Ų | 128 | 71.6 Ų | 71.6 | 90% | 0.895 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 50.6 | 40.9 | 161.2 | 57.8 | 0 | 0 | 0 | 0 | 116.2 | P99 | P99-S101 PolarHBondContact O-N 3.33Š|
| 102 | G | 42.4 | Very low | 67.5 | Low | 51 Ų | 51 | 75.5 Ų | 75.5 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | trans | -120.5 | 133.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E100 N104 | E100-G102 VanDerWaalsContact C-N 3.33Å; E100-G102 PolarHBondContact O-N 3.03Å; E100-G102 VanDerWaalsContact O-N 3.1Å; G102-N104 PolarHBondContact O-N 3.09Å | ||
| 103 | A | 49.7 | Very low | 67.3 | Low | 76 Ų | 76 | 75.9 Ų | 75.9 | 63% | 0.628 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 0.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 104 | N | 54.8 | Low | 67.5 | Low | 129 Ų | 129 | 69.3 Ų | 69.3 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 8.1 | -157.9 | -66.5 | 13.6 | 0 | 0 | 0 | 115.8 | G102 S106 | G102-N104 PolarHBondContact O-N 3.09Å; N104-S106 PolarHBondContact O-N 2.9Å; N104-S106 VanDerWaalsContact O-N 3.15Å |
| 105 | T | 59.6 | Low | 67.6 | Low | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | trans | -76.1 | 105.3 | 173.3 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | P99 S252 | P99-T105 HydrophobicContact CB-CG2 3.51Å; P99-T105 HydrophobicContact CG-CG2 3.82Å; T105-S252 WeakPolarHBondContact O-CB 3.38Å | ||
| 106 | S | 67.7 | Low | 67.7 | Low | 28 Ų | 28 | 70 Ų | 70 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | trans | -70.2 | 168.4 | -176.3 | 68.8 | 0 | 0 | 0 | 0 | 113 | N104 V108 D109 H110 D255 | N104-S106 PolarHBondContact O-N 2.9Å; N104-S106 VanDerWaalsContact O-N 3.15Å; S106-V108 PolarHBondContact O-N 2.91Å; S106-V108 PolarHBondContact OG-N 3.43Å; S106-D109 WeakPolarHBondContact CB-OD2 3.47Å; S106-D109 PolarHBondContact N-OD2 3.48Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-D109 VanDerWaalsContact O-N 3.13Å; S106-D109 PolarHBondContact OG-N 3.42Å; S106-D109 VanDerWaalsContact OG-N 3.17Å; S106-D109 PolarHBondContact OG-OD2 3.02Å; S106-H110 PolarHBondContact O-N 3.03Å; S106-D255 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 107 | L | 75 | Confident | 68.3 | Low | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.6 | -31.7 | 168.1 | -159.3 | 73.6 | 0 | 0 | 0 | 112.7 | E111 F176 L180 W183 I251 D255 | L107-E111 PolarHBondContact O-N 3.49Å; L107-F176 HydrophobicContact CD1-CE2 3.95Å; L107-F176 HydrophobicContact CG-CE2 4.17Å; L107-F176 WeakPolarHBondContact O-CE2 3.18Å; L107-F176 WeakPolarHBondContact O-CZ 3.4Å; L107-L180 HydrophobicContact CD2-CD1 3.52Å; L107-L180 HydrophobicContact CG-CD1 4.03Å; L107-W183 HydrophobicContact CD2-CB 3.71Å; L107-W183 HydrophobicContact CD2-CD2 3.49Å; L107-W183 VanDerWaalsContact CD2-CD2 3.49Å; L107-W183 HydrophobicContact CD2-CE3 3.7Å; L107-W183 HydrophobicContact CD2-CG 3.5Å; L107-I251 HydrophobicContact CD1-CG1 4Å; L107-D255 PolarHBondContact N-OD1 2.82Å; L107-D255 PolarHBondContact N-OD2 3.41Å |
| 108 | V | 76.4 | Confident | 69.5 | Low | 86 Ų | 86 | 65.4 Ų | 65.4 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.6 | -38.3 | 179.2 | -177 | 0 | 0 | 0 | 0 | 111.6 | S106 H110 E111 I112 | S106-V108 PolarHBondContact O-N 2.91Å; S106-V108 PolarHBondContact OG-N 3.43Å; V108-H110 VanDerWaalsContact C-N 3.3Å; V108-H110 PolarHBondContact O-N 3.25Å; V108-E111 WeakPolarHBondContact O-CB 3.24Å; V108-E111 PolarHBondContact O-N 3.41Å; V108-E111 VanDerWaalsContact O-N 3.09Å; V108-I112 HydrophobicContact CG1-CD1 4.1Å; V108-I112 WeakPolarHBondContact O-CG1 3.19Å; V108-I112 PolarHBondContact O-N 3.29Å |
| 109 | D | 75.7 | Confident | 71.2 | Confident | 67 Ų | 67 | 68 Ų | 68 | 36% | 0.358 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.3 | -63.2 | -64.3 | 0 | 0 | 0 | 111 | S106 I112 V113 | S106-D109 WeakPolarHBondContact CB-OD2 3.47Å; S106-D109 PolarHBondContact N-OD2 3.48Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-D109 VanDerWaalsContact O-N 3.13Å; S106-D109 PolarHBondContact OG-N 3.42Å; S106-D109 VanDerWaalsContact OG-N 3.17Å; S106-D109 PolarHBondContact OG-OD2 3.02Å; D109-I112 PolarHBondContact O-N 3.32Å; D109-V113 WeakPolarHBondContact O-CG2 3.44Å; D109-V113 PolarHBondContact O-N 3.01Å |
| 110 | H | 77.3 | Confident | 73 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 171.1 | -83.4 | -63.2 | 0 | 0 | 0 | 112.2 | S106 V108 V113 Y114 F176 F250 | S106-H110 PolarHBondContact O-N 3.03Å; V108-H110 VanDerWaalsContact C-N 3.3Å; V108-H110 PolarHBondContact O-N 3.25Å; H110-V113 PolarHBondContact O-N 2.93Å; H110-Y114 WeakPolarHBondContact O-CD2 3.41Å; H110-Y114 PolarHBondContact O-N 3.13Å; H110-F176 HydrophobicContact CB-CD2 3.88Å; H110-F176 HydrophobicContact CB-CE2 3.45Å; H110-F176 VanDerWaalsContact CB-CE2 3.45Å; H110-F176 HydrophobicContact CB-CZ 4.13Å; H110-F250 PolarHBondContact CD2-O 2.95Å |
| 111 | E | 82.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.4 | -154.9 | -165.7 | 135 | 0 | 0 | 111.7 | L107 V108 V113 Y114 Q115 F176 | L107-E111 PolarHBondContact O-N 3.49Å; V108-E111 WeakPolarHBondContact O-CB 3.24Å; V108-E111 PolarHBondContact O-N 3.41Å; V108-E111 VanDerWaalsContact O-N 3.09Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 2.78Å; E111-Y114 PolarHBondContact O-N 2.85Å; E111-Y114 VanDerWaalsContact O-N 3.15Å; E111-Q115 WeakPolarHBondContact O-CG 3.25Å; E111-Q115 PolarHBondContact O-N 3.17Å; E111-Q115 PolarHBondContact OE1-NE2 3.42Å; E111-F176 HydrophobicContact CB-CE1 4.12Å; E111-F176 HydrophobicContact CB-CZ 3.8Å; E111-F176 HydrophobicContact CG-CE1 4.07Å; E111-F176 HydrophobicContact CG-CZ 4.21Å |
| 112 | I | 84.1 | Confident | 77.7 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 178.3 | -67.3 | 165.9 | 0 | 0 | 0 | 111 | V108 D109 Q115 S116 | V108-I112 HydrophobicContact CG1-CD1 4.1Å; V108-I112 WeakPolarHBondContact O-CG1 3.19Å; V108-I112 PolarHBondContact O-N 3.29Å; D109-I112 PolarHBondContact O-N 3.32Å; I112-Q115 PolarHBondContact O-N 3.01Å; I112-S116 WeakPolarHBondContact O-CB 3.11Å; I112-S116 PolarHBondContact O-N 3.47Å |
| 113 | V | 84.2 | Confident | 80 | Confident | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | D109 H110 E111 S116 V117 | D109-V113 WeakPolarHBondContact O-CG2 3.44Å; D109-V113 PolarHBondContact O-N 3.01Å; H110-V113 PolarHBondContact O-N 2.93Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 2.78Å; V113-S116 WeakPolarHBondContact O-CB 3.22Å; V113-S116 PolarHBondContact O-N 3.26Å; V113-V117 HydrophobicContact CG1-CG2 4.45Å; V113-V117 WeakPolarHBondContact O-CG2 3.31Å; V113-V117 PolarHBondContact O-N 2.83Å |
| 114 | Y | 88.1 | Confident | 82 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.9 | -76.4 | -60.4 | 0 | 0 | 0 | 112.7 | L95 H110 E111 S116 V117 S118 Y169 R172 F173 F176 | L95-Y114 HydrophobicContact CD1-CE1 4.04Å; H110-Y114 WeakPolarHBondContact O-CD2 3.41Å; H110-Y114 PolarHBondContact O-N 3.13Å; E111-Y114 PolarHBondContact O-N 2.85Å; E111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.16Å; Y114-V117 PolarHBondContact O-N 3.41Å; Y114-S118 WeakPolarHBondContact O-CB 2.92Å; Y114-S118 PolarHBondContact O-N 2.8Å; Y114-Y169 HydrophobicContact CD1-CD2 4.15Å; Y114-Y169 AromaticContact CD1-CE2 3.81Å; Y114-Y169 HydrophobicContact CD1-CE2 3.81Å; Y114-R172 HydrophobicContact CE1-CB 4.28Å; Y114-R172 WeakPolarHBondContact OH-CD 3.05Å; Y114-R172 VanDerWaalsContact OH-CG 3.23Å; Y114-R172 WeakPolarHBondContact OH-CG 3.45Å; Y114-F173 HydrophobicContact CD1-CB 4.22Å; Y114-F173 AromaticContact CD1-CD2 3.91Å; Y114-F173 HydrophobicContact CD1-CD2 3.91Å; Y114-F173 HydrophobicContact CD2-CD2 4.16Å; Y114-F173 HydrophobicContact CE1-CB 4.32Å; Y114-F173 AromaticContact CG-CD2 3.67Å; Y114-F173 HydrophobicContact CG-CD2 3.67Å; Y114-F173 HydrophobicContact CG-CE2 4.34Å; Y114-F176 HydrophobicContact CD2-CB 4.12Å; Y114-F176 AromaticContact CD2-CD1 3.52Å; Y114-F176 HydrophobicContact CD2-CD1 3.52Å; Y114-F176 HydrophobicContact CD2-CD2 4.29Å; Y114-F176 AromaticContact CD2-CE1 3.98Å; Y114-F176 HydrophobicContact CD2-CE1 3.98Å; Y114-F176 AromaticContact CD2-CG 3.7Å; Y114-F176 HydrophobicContact CD2-CG 3.7Å; Y114-F176 HydrophobicContact CE2-CB 3.49Å; Y114-F176 VanDerWaalsContact CE2-CB 3.49Å; Y114-F176 AromaticContact CE2-CD1 3.8Å; Y114-F176 HydrophobicContact CE2-CD1 3.8Å; Y114-F176 AromaticContact CE2-CD2 3.96Å; Y114-F176 HydrophobicContact CE2-CD2 3.96Å; Y114-F176 AromaticContact CE2-CG 3.45Å; Y114-F176 HydrophobicContact CE2-CG 3.45Å; Y114-F176 VanDerWaalsContact CE2-CG 3.45Å; Y114-F176 HydrophobicContact CG-CD1 4.49Å |
| 115 | Q | 86.2 | Confident | 83.7 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.2 | -68.2 | -174 | 24.9 | 0 | 0 | 112 | E111 I112 K119 | E111-Q115 WeakPolarHBondContact O-CG 3.25Å; E111-Q115 PolarHBondContact O-N 3.17Å; E111-Q115 PolarHBondContact OE1-NE2 3.42Å; I112-Q115 PolarHBondContact O-N 3.01Å; Q115-K119 WeakPolarHBondContact O-CG 3.17Å; Q115-K119 PolarHBondContact O-N 3.14Å |
| 116 | S | 86.4 | Confident | 85.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | K94 I112 V113 Y114 K119 G120 | K94-S116 PolarHBondContact NZ-OG 3.38Å; I112-S116 WeakPolarHBondContact O-CB 3.11Å; I112-S116 PolarHBondContact O-N 3.47Å; V113-S116 WeakPolarHBondContact O-CB 3.22Å; V113-S116 PolarHBondContact O-N 3.26Å; Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 3.16Å; S116-K119 PolarHBondContact O-N 2.77Å; S116-G120 PolarHBondContact O-N 2.66Å |
| 117 | V | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | K94 V113 Y114 G120 I121 Y169 | K94-V117 HydrophobicContact CB-CG2 3.96Å; V113-V117 HydrophobicContact CG1-CG2 4.45Å; V113-V117 WeakPolarHBondContact O-CG2 3.31Å; V113-V117 PolarHBondContact O-N 2.83Å; Y114-V117 PolarHBondContact O-N 3.41Å; V117-G120 PolarHBondContact O-N 3.1Å; V117-I121 HydrophobicContact CG1-CD1 3.81Å; V117-I121 HydrophobicContact CG1-CG1 4.33Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.82Å; V117-Y169 HydrophobicContact CB-CD2 4.27Å; V117-Y169 HydrophobicContact CB-CE2 4.4Å; V117-Y169 HydrophobicContact CG1-CD2 3.66Å; V117-Y169 HydrophobicContact CG1-CE2 4.24Å; V117-Y169 HydrophobicContact CG1-CG 4.48Å |
| 118 | S | 91.1 | Very high | 86.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | Y114 G120 I121 D122 Y169 | Y114-S118 WeakPolarHBondContact O-CB 2.92Å; Y114-S118 PolarHBondContact O-N 2.8Å; S118-G120 PolarHBondContact O-N 3.15Å; S118-I121 PolarHBondContact O-N 2.94Å; S118-D122 PolarHBondContact O-N 3.38Å; S118-Y169 WeakPolarHBondContact CB-OH 3Å |
| 119 | K | 89.6 | Confident | 87.4 | Confident | 143 Ų | 143 | 56.2 Ų | 56.2 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.8 | -34.7 | 176.9 | -71 | 169.7 | -177.7 | 170.9 | 0 | 112.2 | Q115 S116 S123 | Q115-K119 WeakPolarHBondContact O-CG 3.17Å; Q115-K119 PolarHBondContact O-N 3.14Å; S116-K119 PolarHBondContact O-N 2.77Å; K119-S123 WeakPolarHBondContact O-CB 3.19Å; K119-S123 PolarHBondContact O-N 3.22Å; K119-S123 VanDerWaalsContact O-N 3.15Å |
| 120 | G | 90 | Very high | 87.9 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S116 V117 S118 S123 L124 | S116-G120 PolarHBondContact O-N 2.66Å; V117-G120 PolarHBondContact O-N 3.1Å; S118-G120 PolarHBondContact O-N 3.15Å; G120-S123 WeakPolarHBondContact O-CB 3.46Å; G120-S123 PolarHBondContact O-N 3.02Å; G120-S123 VanDerWaalsContact O-N 3.17Å; G120-L124 WeakPolarHBondContact O-CB 3.21Å; G120-L124 PolarHBondContact O-N 3.38Å |
| 121 | I | 91.9 | Very high | 88.4 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 176 | -70.8 | 170 | 0 | 0 | 0 | 110.6 | L91 V117 S118 S123 L124 K125 L162 L165 E166 Y169 | L91-I121 HydrophobicContact CD1-CG1 4.43Å; V117-I121 HydrophobicContact CG1-CD1 3.81Å; V117-I121 HydrophobicContact CG1-CG1 4.33Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.82Å; S118-I121 PolarHBondContact O-N 2.94Å; I121-S123 PolarHBondContact O-N 3.31Å; I121-L124 PolarHBondContact O-N 3.09Å; I121-K125 VanDerWaalsContact O-CB 3.29Å; I121-K125 WeakPolarHBondContact O-CB 3.18Å; I121-K125 PolarHBondContact O-N 3.27Å; I121-L162 HydrophobicContact CG2-CD1 4.39Å; I121-L165 HydrophobicContact CD1-CD2 4.49Å; I121-L165 HydrophobicContact CD1-CG 4.01Å; I121-L165 HydrophobicContact CG1-CD2 3.93Å; I121-L165 HydrophobicContact CG1-CG 4Å; I121-E166 HydrophobicContact CG2-CG 3.63Å; I121-Y169 HydrophobicContact CD1-CD1 4.3Å; I121-Y169 HydrophobicContact CD1-CD2 4.22Å; I121-Y169 HydrophobicContact CD1-CG 3.81Å |
| 122 | D | 90.1 | Very high | 88.5 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -27 | 176.5 | -76.7 | -42.2 | 0 | 0 | 0 | 113.5 | S118 K126 | S118-D122 PolarHBondContact O-N 3.38Å; D122-K126 WeakPolarHBondContact O-CG 3.32Å; D122-K126 PolarHBondContact O-NZ 3.29Å |
| 123 | S | 90.7 | Very high | 88.5 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 42% | 0.42 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81.5 | -51.1 | 175.2 | -169 | 0 | 0 | 0 | 0 | 111.2 | K119 G120 I121 K125 K126 R127 | K119-S123 WeakPolarHBondContact O-CB 3.19Å; K119-S123 PolarHBondContact O-N 3.22Å; K119-S123 VanDerWaalsContact O-N 3.15Å; G120-S123 WeakPolarHBondContact O-CB 3.46Å; G120-S123 PolarHBondContact O-N 3.02Å; G120-S123 VanDerWaalsContact O-N 3.17Å; I121-S123 PolarHBondContact O-N 3.31Å; S123-K125 VanDerWaalsContact C-N 3.29Å; S123-K125 PolarHBondContact O-N 3.12Å; S123-K126 PolarHBondContact O-N 3.29Å; S123-R127 WeakPolarHBondContact O-CG 3.43Å; S123-R127 PolarHBondContact O-N 2.87Å |
| 124 | L | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.6 | -44 | 178.2 | -179.9 | 67.5 | 0 | 0 | 0 | 111.5 | L84 E87 L91 G120 I121 K126 R127 I128 L162 L165 | L84-L124 HydrophobicContact CB-CD1 4.48Å; L84-L124 HydrophobicContact CD2-CD1 3.91Å; E87-L124 HydrophobicContact CB-CD1 4.14Å; L91-L124 HydrophobicContact CD1-CB 4.36Å; L91-L124 HydrophobicContact CD1-CD2 4.04Å; G120-L124 WeakPolarHBondContact O-CB 3.21Å; G120-L124 PolarHBondContact O-N 3.38Å; I121-L124 PolarHBondContact O-N 3.09Å; L124-K126 PolarHBondContact O-N 3.16Å; L124-R127 PolarHBondContact O-N 3.11Å; L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD1-CG1 4.39Å; L124-I128 HydrophobicContact CD2-CD1 4.48Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 WeakPolarHBondContact O-CG1 3.18Å; L124-I128 PolarHBondContact O-N 3.27Å; L124-L162 HydrophobicContact CD2-CD1 3.85Å; L124-L162 HydrophobicContact CG-CD1 4.18Å; L124-L165 HydrophobicContact CD2-CD2 3.92Å |
| 125 | K | 91.4 | Very high | 88.3 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.1 | -52.6 | 176.8 | -171.6 | 176.1 | -157.3 | 87 | 0 | 112.2 | I121 S123 R127 I128 E129 L162 E166 | I121-K125 VanDerWaalsContact O-CB 3.29Å; I121-K125 WeakPolarHBondContact O-CB 3.18Å; I121-K125 PolarHBondContact O-N 3.27Å; S123-K125 VanDerWaalsContact C-N 3.29Å; S123-K125 PolarHBondContact O-N 3.12Å; K125-R127 VanDerWaalsContact C-N 3.26Å; K125-R127 PolarHBondContact O-N 2.77Å; K125-I128 PolarHBondContact O-N 3.04Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 3.13Å; K125-L162 HydrophobicContact CB-CD1 4.5Å; K125-L162 HydrophobicContact CB-CD2 4.07Å; K125-L162 HydrophobicContact CG-CD2 4.01Å; K125-E166 VanDerWaalsContact NZ-CD 3.31Å; K125-E166 IonicContact NZ-OE1 3.07Å; K125-E166 PolarHBondContact NZ-OE1 3.18Å; K125-E166 IonicContact NZ-OE2 3.41Å; K125-E166 PolarHBondContact NZ-OE2 2.88Å |
| 126 | K | 90.2 | Very high | 88 | Confident | 129 Ų | 129 | 62.6 Ų | 62.6 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.9 | -33.4 | 178.3 | -64.6 | -175.9 | -169 | 74.5 | 0 | 112.9 | D122 S123 L124 H130 | D122-K126 WeakPolarHBondContact O-CG 3.32Å; D122-K126 PolarHBondContact O-NZ 3.29Å; S123-K126 PolarHBondContact O-N 3.29Å; L124-K126 PolarHBondContact O-N 3.16Å; K126-H130 PolarHBondContact O-N 3.49Å |
| 127 | R | 90.3 | Very high | 87.7 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 27% | 0.272 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -76.7 | -36.9 | 178.6 | -62.2 | 175.4 | 70.1 | 169.3 | 7.1 | 112.4 | E83 L84 E87 S123 L124 K125 H130 L131 | E83-R127 IonicContact OE1-CZ 3.15Å; E83-R127 IonicContact OE1-NH1 3.36Å; E83-R127 IonicContact OE1-NH2 3.26Å; E83-R127 PolarHBondContact OE1-NH2 2.71Å; E83-R127 IonicContact OE2-NH2 3.66Å; L84-R127 HydrophobicContact CD1-CB 4.48Å; L84-R127 HydrophobicContact CD2-CB 3.48Å; L84-R127 VanDerWaalsContact CD2-CB 3.48Å; L84-R127 HydrophobicContact CD2-CG 4.34Å; E87-R127 IonicContact OE1-CZ 2.64Å; E87-R127 IonicContact OE1-NH1 3.06Å; E87-R127 PolarHBondContact OE1-NH1 2.76Å; E87-R127 IonicContact OE2-CZ 2.72Å; E87-R127 IonicContact OE2-NH1 3.2Å; E87-R127 PolarHBondContact OE2-NH1 3.03Å; S123-R127 WeakPolarHBondContact O-CG 3.43Å; S123-R127 PolarHBondContact O-N 2.87Å; L124-R127 PolarHBondContact O-N 3.11Å; K125-R127 VanDerWaalsContact C-N 3.26Å; K125-R127 PolarHBondContact O-N 2.77Å; R127-H130 PolarHBondContact O-N 2.85Å; R127-L131 WeakPolarHBondContact O-CB 3.26Å; R127-L131 PolarHBondContact O-N 2.95Å |
| 128 | I | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 173.1 | -69.8 | 173.1 | 0 | 0 | 0 | 110.7 | L84 L124 K125 L131 S132 L158 L162 | L84-I128 HydrophobicContact CD1-CG1 4.24Å; L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD1-CG1 4.39Å; L124-I128 HydrophobicContact CD2-CD1 4.48Å; L124-I128 HydrophobicContact CG-CD1 3.86Å; L124-I128 WeakPolarHBondContact O-CG1 3.18Å; L124-I128 PolarHBondContact O-N 3.27Å; K125-I128 PolarHBondContact O-N 3.04Å; I128-L131 PolarHBondContact O-N 2.7Å; I128-S132 PolarHBondContact O-N 3.38Å; I128-L158 HydrophobicContact CD1-CB 4.21Å; I128-L158 HydrophobicContact CG1-CB 4.49Å; I128-L162 HydrophobicContact CD1-CB 4.1Å; I128-L162 HydrophobicContact CD1-CD2 4.22Å |
| 129 | E | 87.1 | Confident | 86.9 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 169.4 | -73.9 | 168 | 177.5 | 0 | 0 | 110.7 | K125 L131 S132 D133 | K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 3.13Å; E129-L131 PolarHBondContact O-N 3.11Å; E129-S132 WeakPolarHBondContact O-CA 3.45Å; E129-S132 VanDerWaalsContact O-CB 3.28Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å; E129-S132 PolarHBondContact O-N 3.21Å; E129-D133 PolarHBondContact O-N 3.25Å |
| 130 | H | 86.2 | Confident | 86.5 | Confident | 108 Ų | 108 | 60 Ų | 60 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.2 | -171.3 | 52.9 | 0 | 0 | 0 | 114 | K126 R127 S132 D133 Q134 | K126-H130 PolarHBondContact O-N 3.49Å; R127-H130 PolarHBondContact O-N 2.85Å; H130-S132 VanDerWaalsContact C-N 3.3Å; H130-D133 PolarHBondContact O-N 3.03Å; H130-Q134 PolarHBondContact CD2-NE2 3.35Å; H130-Q134 PolarHBondContact NE2-NE2 3.44Å; H130-Q134 WeakPolarHBondContact O-CG 3.12Å; H130-Q134 PolarHBondContact O-N 3.21Å; H130-Q134 VanDerWaalsContact O-N 3.1Å |
| 131 | L | 86.8 | Confident | 85.6 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 171.6 | -177.8 | 77.3 | 0 | 0 | 0 | 111.2 | F77 C80 T81 L84 R127 I128 E129 Q134 Q135 V155 L158 | F77-L131 HydrophobicContact CD2-CD1 3.71Å; F77-L131 HydrophobicContact CE2-CD1 3.47Å; F77-L131 VanDerWaalsContact CE2-CD1 3.47Å; F77-L131 HydrophobicContact CE2-CG 3.92Å; F77-L131 HydrophobicContact CG-CD1 4.36Å; F77-L131 HydrophobicContact CZ-CD1 3.93Å; F77-L131 HydrophobicContact CZ-CG 4.12Å; C80-L131 HydrophobicContact CB-CD1 4.17Å; T81-L131 HydrophobicContact CG2-CD1 4.07Å; T81-L131 HydrophobicContact CG2-CD2 3.71Å; T81-L131 HydrophobicContact CG2-CG 4.49Å; L84-L131 HydrophobicContact CD1-CB 4.23Å; L84-L131 HydrophobicContact CD1-CD2 4Å; R127-L131 WeakPolarHBondContact O-CB 3.26Å; R127-L131 PolarHBondContact O-N 2.95Å; I128-L131 PolarHBondContact O-N 2.7Å; E129-L131 PolarHBondContact O-N 3.11Å; L131-Q134 PolarHBondContact O-N 2.65Å; L131-Q135 PolarHBondContact O-N 2.73Å; L131-V155 HydrophobicContact CD2-CG2 4.15Å; L131-V155 HydrophobicContact CG-CG2 4.42Å; L131-L158 HydrophobicContact CD2-CD1 3.59Å |
| 132 | S | 84.9 | Confident | 84.6 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 175.4 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | I128 E129 H130 Q135 | I128-S132 PolarHBondContact O-N 3.38Å; E129-S132 WeakPolarHBondContact O-CA 3.45Å; E129-S132 VanDerWaalsContact O-CB 3.28Å; E129-S132 WeakPolarHBondContact O-CB 3.36Å; E129-S132 PolarHBondContact O-N 3.21Å; H130-S132 VanDerWaalsContact C-N 3.3Å; S132-Q135 WeakPolarHBondContact O-CB 3.47Å; S132-Q135 PolarHBondContact O-N 3.19Å |
| 133 | D | 84.7 | Confident | 83.7 | Confident | 121 Ų | 121 | 67.4 Ų | 67.4 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 171.5 | -68.5 | -29.5 | 0 | 0 | 0 | 111.7 | E129 H130 Q135 | E129-D133 PolarHBondContact O-N 3.25Å; H130-D133 PolarHBondContact O-N 3.03Å; D133-Q135 VanDerWaalsContact C-N 3.25Å; D133-Q135 PolarHBondContact O-N 2.99Å |
| 134 | Q | 82 | Confident | 83 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.4 | -21.2 | 177.2 | -68.5 | -175.5 | 20.1 | 0 | 0 | 113.4 | H130 L131 E136 A137 V138 | H130-Q134 PolarHBondContact CD2-NE2 3.35Å; H130-Q134 PolarHBondContact NE2-NE2 3.44Å; H130-Q134 WeakPolarHBondContact O-CG 3.12Å; H130-Q134 PolarHBondContact O-N 3.21Å; H130-Q134 VanDerWaalsContact O-N 3.1Å; L131-Q134 PolarHBondContact O-N 2.65Å; Q134-E136 PolarHBondContact O-N 2.91Å; Q134-A137 WeakPolarHBondContact O-CB 3.1Å; Q134-A137 PolarHBondContact O-N 2.71Å; Q134-V138 PolarHBondContact O-N 2.93Å; Q134-V138 VanDerWaalsContact O-N 3.12Å |
| 135 | Q | 84.8 | Confident | 82.5 | Confident | 37 Ų | 37 | 73.8 Ų | 73.8 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | -177.4 | -170.6 | -172.3 | -19.4 | 0 | 0 | 112.1 | L131 S132 D133 A137 V138 L139 V151 V155 | L131-Q135 PolarHBondContact O-N 2.73Å; S132-Q135 WeakPolarHBondContact O-CB 3.47Å; S132-Q135 PolarHBondContact O-N 3.19Å; D133-Q135 VanDerWaalsContact C-N 3.25Å; D133-Q135 PolarHBondContact O-N 2.99Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 3.42Å; Q135-V138 PolarHBondContact O-N 2.98Å; Q135-L139 HydrophobicContact CG-CD1 3.87Å; Q135-L139 HydrophobicContact CG-CG 4.35Å; Q135-L139 VanDerWaalsContact O-CB 3.32Å; Q135-L139 WeakPolarHBondContact O-CB 3.31Å; Q135-L139 VanDerWaalsContact O-CG 3.28Å; Q135-L139 WeakPolarHBondContact O-CG 3.35Å; Q135-L139 PolarHBondContact O-N 3.21Å; Q135-V151 HydrophobicContact CG-CG1 3.94Å; Q135-V155 HydrophobicContact CG-CG2 4.28Å |
| 136 | E | 81.4 | Confident | 82 | Confident | 158 Ų | 158 | 75.6 Ų | 75.6 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 180 | -172.2 | 172.5 | -149.9 | 0 | 0 | 111.7 | Q134 V138 L139 S140 | Q134-E136 PolarHBondContact O-N 2.91Å; E136-V138 PolarHBondContact O-N 3.4Å; E136-L139 PolarHBondContact O-N 3.43Å; E136-S140 WeakPolarHBondContact O-CB 3.47Å; E136-S140 PolarHBondContact O-N 3.26Å |
| 137 | A | 79.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q134 Q135 S140 Q141 | Q134-A137 WeakPolarHBondContact O-CB 3.1Å; Q134-A137 PolarHBondContact O-N 2.71Å; Q135-A137 VanDerWaalsContact C-N 3.34Å; Q135-A137 PolarHBondContact O-N 3.42Å; A137-S140 PolarHBondContact O-N 2.86Å; A137-S140 PolarHBondContact O-OG 2.83Å; A137-Q141 PolarHBondContact O-NE2 2.87Å |
| 138 | V | 81.4 | Confident | 81 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.6 | -46.2 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L74 F77 Q134 Q135 E136 S140 Q141 V142 V151 | L74-V138 HydrophobicContact CD1-CG1 4.05Å; F77-V138 HydrophobicContact CB-CG2 4.09Å; F77-V138 HydrophobicContact CD2-CG2 3.77Å; F77-V138 HydrophobicContact CE2-CG2 4.48Å; F77-V138 HydrophobicContact CG-CG2 4.1Å; Q134-V138 PolarHBondContact O-N 2.93Å; Q134-V138 VanDerWaalsContact O-N 3.12Å; Q135-V138 PolarHBondContact O-N 2.98Å; E136-V138 PolarHBondContact O-N 3.4Å; V138-S140 PolarHBondContact O-N 3.4Å; V138-Q141 PolarHBondContact O-N 3.22Å; V138-V142 HydrophobicContact CG1-CG2 3.94Å; V138-V142 WeakPolarHBondContact O-CG2 3.26Å; V138-V142 PolarHBondContact O-N 2.87Å; V138-V151 HydrophobicContact CG1-CG2 4.12Å |
| 139 | L | 82.3 | Confident | 80.7 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -22.6 | 176.4 | -73.7 | 177 | 0 | 0 | 0 | 113.2 | Q135 E136 Q141 R148 V151 E152 | Q135-L139 HydrophobicContact CG-CD1 3.87Å; Q135-L139 HydrophobicContact CG-CG 4.35Å; Q135-L139 VanDerWaalsContact O-CB 3.32Å; Q135-L139 WeakPolarHBondContact O-CB 3.31Å; Q135-L139 VanDerWaalsContact O-CG 3.28Å; Q135-L139 WeakPolarHBondContact O-CG 3.35Å; Q135-L139 PolarHBondContact O-N 3.21Å; E136-L139 PolarHBondContact O-N 3.43Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.49Å; L139-R148 HydrophobicContact CD2-CB 3.95Å; L139-R148 HydrophobicContact CD2-CG 4.24Å; L139-R148 VanDerWaalsContact O-CZ 3.31Å; L139-R148 PolarHBondContact O-NH1 3.15Å; L139-R148 PolarHBondContact O-NH2 2.92Å; L139-V151 HydrophobicContact CD2-CB 4.31Å; L139-V151 HydrophobicContact CD2-CG1 4Å; L139-V151 HydrophobicContact CG-CG1 4.07Å; L139-E152 HydrophobicContact CD1-CG 3.97Å; L139-E152 HydrophobicContact CD2-CG 4.25Å |
| 140 | S | 79.5 | Confident | 80.6 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.3 | 173.8 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | E136 A137 V138 | E136-S140 WeakPolarHBondContact O-CB 3.47Å; E136-S140 PolarHBondContact O-N 3.26Å; A137-S140 PolarHBondContact O-N 2.86Å; A137-S140 PolarHBondContact O-OG 2.83Å; V138-S140 PolarHBondContact O-N 3.4Å |
| 141 | Q | 71.9 | Confident | 80.5 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -21.7 | -170.7 | -65.8 | 172.5 | 46.2 | 0 | 0 | 113.9 | A70 A137 V138 L139 Q143 | A70-Q141 HydrophobicContact CB-CB 4.2Å; A137-Q141 PolarHBondContact O-NE2 2.87Å; V138-Q141 PolarHBondContact O-N 3.22Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.49Å; Q141-Q143 PolarHBondContact O-N 2.66Å |
| 142 | V | 71.9 | Confident | 80.4 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | trans | -78 | 113.2 | 179.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | L74 V138 D147 R148 | L74-V142 HydrophobicContact CD1-CG2 4.39Å; L74-V142 HydrophobicContact CD2-CG2 4.44Å; V138-V142 HydrophobicContact CG1-CG2 3.94Å; V138-V142 WeakPolarHBondContact O-CG2 3.26Å; V138-V142 PolarHBondContact O-N 2.87Å; V142-D147 HydrophobicContact CG1-CB 3.52Å; V142-R148 HydrophobicContact CB-CG 4.34Å; V142-R148 HydrophobicContact CG1-CG 3.88Å; V142-R148 PolarHBondContact O-NH1 3.34Å; V142-R148 VanDerWaalsContact O-NH1 3.07Å | ||
| 143 | Q | 70.4 | Confident | 80.5 | Confident | 180 Ų | 180 | 74.9 Ų | 74.9 | 84% | 0.841 | 40% | 0.399 | S | S | * | . | trans | -87.6 | -8.4 | 178.8 | -62.7 | -175.2 | 5.2 | 0 | 0 | 114.6 | Q141 | Q141-Q143 PolarHBondContact O-N 2.66Š| ||
| 144 | N | 76.8 | Confident | 80.5 | Confident | 74 Ų | 74 | 72 Ų | 72 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | trans | -98.9 | 115.9 | -178.2 | 176.7 | 17.7 | 0 | 0 | 0 | 110.4 | L146 D147 R148 | N144-L146 PolarHBondContact O-N 3.24Å; N144-L146 VanDerWaalsContact O-N 3.15Å; N144-L146 PolarHBondContact OD1-N 3.15Å; N144-D147 HydrophobicContact CB-CB 4.21Å; N144-D147 WeakPolarHBondContact CB-OD2 3.44Å; N144-D147 PolarHBondContact ND2-OD2 3.45Å; N144-D147 PolarHBondContact O-N 3.37Å; N144-R148 WeakPolarHBondContact O-CG 3.31Å; N144-R148 PolarHBondContact O-N 3.07Å | ||
| 145 | D | 79.6 | Confident | 80.8 | Confident | 119 Ų | 119 | 69.2 Ų | 69.2 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -54.5 | -34.2 | -180 | -62.6 | -39 | 0 | 0 | 0 | 113 | R148 N149 | D145-R148 PolarHBondContact O-N 3.13Å; D145-N149 WeakPolarHBondContact O-CB 3.19Å; D145-N149 PolarHBondContact O-N 3.49Å; D145-N149 PolarHBondContact O-ND2 3.25Å |
| 146 | L | 81.3 | Confident | 80.9 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 55% | 0.55 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 175.9 | 179.6 | 63.4 | 0 | 0 | 0 | 111.6 | N144 N149 N150 | N144-L146 PolarHBondContact O-N 3.24Å; N144-L146 VanDerWaalsContact O-N 3.15Å; N144-L146 PolarHBondContact OD1-N 3.15Å; L146-N149 PolarHBondContact O-N 2.81Å; L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.32Å; L146-N150 PolarHBondContact O-ND2 3.34Å; L146-N150 PolarHBondContact O-OD1 3.19Å |
| 147 | D | 78.5 | Confident | 81.3 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.2 | -30.6 | -179 | -63.8 | -32.8 | 0 | 0 | 0 | 111.7 | L74 V142 N144 N150 V151 | L74-D147 HydrophobicContact CD2-CB 4.42Å; V142-D147 HydrophobicContact CG1-CB 3.52Å; N144-D147 HydrophobicContact CB-CB 4.21Å; N144-D147 WeakPolarHBondContact CB-OD2 3.44Å; N144-D147 PolarHBondContact ND2-OD2 3.45Å; N144-D147 PolarHBondContact O-N 3.37Å; D147-N150 PolarHBondContact O-N 2.88Å; D147-V151 WeakPolarHBondContact O-CG2 3.16Å; D147-V151 PolarHBondContact O-N 3.44Å |
| 148 | R | 80.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -52 | 169.5 | -59 | -177.6 | 74.6 | 83.6 | 9.9 | 111.3 | L139 V142 N144 D145 N150 V151 E152 | L139-R148 HydrophobicContact CD2-CB 3.95Å; L139-R148 HydrophobicContact CD2-CG 4.24Å; L139-R148 VanDerWaalsContact O-CZ 3.31Å; L139-R148 PolarHBondContact O-NH1 3.15Å; L139-R148 PolarHBondContact O-NH2 2.92Å; V142-R148 HydrophobicContact CB-CG 4.34Å; V142-R148 HydrophobicContact CG1-CG 3.88Å; V142-R148 PolarHBondContact O-NH1 3.34Å; V142-R148 VanDerWaalsContact O-NH1 3.07Å; N144-R148 WeakPolarHBondContact O-CG 3.31Å; N144-R148 PolarHBondContact O-N 3.07Å; D145-R148 PolarHBondContact O-N 3.13Å; R148-N150 VanDerWaalsContact C-N 3.26Å; R148-N150 PolarHBondContact O-N 3.3Å; R148-V151 PolarHBondContact O-N 3.03Å; R148-V151 VanDerWaalsContact O-N 3.17Å; R148-E152 PolarHBondContact O-N 3.43Å |
| 149 | N | 83.6 | Confident | 82.2 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 178.2 | -69.2 | -34.4 | 0 | 0 | 0 | 111.6 | D145 L146 A153 | D145-N149 WeakPolarHBondContact O-CB 3.19Å; D145-N149 PolarHBondContact O-N 3.49Å; D145-N149 PolarHBondContact O-ND2 3.25Å; L146-N149 PolarHBondContact O-N 2.81Å; N149-A153 WeakPolarHBondContact O-CB 3.25Å; N149-A153 PolarHBondContact O-N 3.32Å |
| 150 | N | 83.9 | Confident | 82.6 | Confident | 79 Ų | 79 | 70 Ų | 70 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175 | -68.2 | -24 | 0 | 0 | 0 | 111.8 | L146 D147 R148 A153 V154 | L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.32Å; L146-N150 PolarHBondContact O-ND2 3.34Å; L146-N150 PolarHBondContact O-OD1 3.19Å; D147-N150 PolarHBondContact O-N 2.88Å; R148-N150 VanDerWaalsContact C-N 3.26Å; R148-N150 PolarHBondContact O-N 3.3Å; N150-A153 PolarHBondContact O-N 2.96Å; N150-V154 VanDerWaalsContact O-CG2 3.29Å; N150-V154 WeakPolarHBondContact O-CG2 3.48Å; N150-V154 PolarHBondContact O-N 3.37Å |
| 151 | V | 84.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.1 | 162.1 | 0 | 0 | 0 | 0 | 111.4 | L74 F77 Q135 V138 L139 D147 R148 V155 | L74-V151 HydrophobicContact CD1-CG2 3.76Å; F77-V151 HydrophobicContact CD1-CG2 4.17Å; F77-V151 HydrophobicContact CE1-CB 4.25Å; F77-V151 HydrophobicContact CE1-CG1 3.8Å; F77-V151 HydrophobicContact CE1-CG2 4.05Å; F77-V151 HydrophobicContact CZ-CG1 3.86Å; Q135-V151 HydrophobicContact CG-CG1 3.94Å; V138-V151 HydrophobicContact CG1-CG2 4.12Å; L139-V151 HydrophobicContact CD2-CB 4.31Å; L139-V151 HydrophobicContact CD2-CG1 4Å; L139-V151 HydrophobicContact CG-CG1 4.07Å; D147-V151 WeakPolarHBondContact O-CG2 3.16Å; D147-V151 PolarHBondContact O-N 3.44Å; R148-V151 PolarHBondContact O-N 3.03Å; R148-V151 VanDerWaalsContact O-N 3.17Å; V151-V155 PolarHBondContact O-N 3.23Å |
| 152 | E | 84.8 | Confident | 84 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.3 | -68.8 | 173 | -158.8 | 0 | 0 | 112 | L139 R148 H156 | L139-E152 HydrophobicContact CD1-CG 3.97Å; L139-E152 HydrophobicContact CD2-CG 4.25Å; R148-E152 PolarHBondContact O-N 3.43Å; E152-H156 WeakPolarHBondContact O-CB 3.33Å; E152-H156 PolarHBondContact O-N 3.23Å; E152-H156 VanDerWaalsContact O-N 3.11Å |
| 153 | A | 86.5 | Confident | 84.9 | Confident | 61 Ų | 61 | 69.7 Ų | 69.7 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N149 N150 G157 | N149-A153 WeakPolarHBondContact O-CB 3.25Å; N149-A153 PolarHBondContact O-N 3.32Å; N150-A153 PolarHBondContact O-N 2.96Å; A153-G157 PolarHBondContact O-N 3Å |
| 154 | V | 86.4 | Confident | 85.9 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | -179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | T81 N150 H156 G157 L158 | T81-V154 HydrophobicContact CG2-CG1 3.45Å; T81-V154 VanDerWaalsContact CG2-CG1 3.45Å; N150-V154 VanDerWaalsContact O-CG2 3.29Å; N150-V154 WeakPolarHBondContact O-CG2 3.48Å; N150-V154 PolarHBondContact O-N 3.37Å; V154-H156 VanDerWaalsContact C-N 3.35Å; V154-H156 PolarHBondContact O-N 3.45Å; V154-G157 PolarHBondContact O-N 3.17Å; V154-L158 HydrophobicContact CG1-CD1 4.36Å; V154-L158 PolarHBondContact O-N 3.06Å |
| 155 | V | 86.9 | Confident | 86.5 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | F77 L131 Q135 V151 G157 L158 N159 | F77-V155 HydrophobicContact CE1-CG2 4.3Å; F77-V155 HydrophobicContact CZ-CG2 3.58Å; L131-V155 HydrophobicContact CD2-CG2 4.15Å; L131-V155 HydrophobicContact CG-CG2 4.42Å; Q135-V155 HydrophobicContact CG-CG2 4.28Å; V151-V155 PolarHBondContact O-N 3.23Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.49Å; V155-L158 PolarHBondContact O-N 3.34Å; V155-N159 PolarHBondContact O-N 3.04Å; V155-N159 PolarHBondContact O-ND2 3.15Å |
| 156 | H | 87.7 | Confident | 87.1 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 175.2 | -176.9 | 42.4 | 0 | 0 | 0 | 112.2 | E152 V154 T160 | E152-H156 WeakPolarHBondContact O-CB 3.33Å; E152-H156 PolarHBondContact O-N 3.23Å; E152-H156 VanDerWaalsContact O-N 3.11Å; V154-H156 VanDerWaalsContact C-N 3.35Å; V154-H156 PolarHBondContact O-N 3.45Å; H156-T160 WeakPolarHBondContact O-CB 3.4Å; H156-T160 PolarHBondContact O-N 2.93Å; H156-T160 PolarHBondContact O-OG1 2.87Å |
| 157 | G | 88.8 | Confident | 87.5 | Confident | 32 Ų | 32 | 57 Ų | 57 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -52.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A153 V154 V155 N159 T160 R161 | A153-G157 PolarHBondContact O-N 3Å; V154-G157 PolarHBondContact O-N 3.17Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.49Å; G157-N159 PolarHBondContact O-N 3.3Å; G157-T160 WeakPolarHBondContact O-CB 3.21Å; G157-T160 PolarHBondContact O-N 3.2Å; G157-T160 VanDerWaalsContact O-N 3.15Å; G157-R161 WeakPolarHBondContact O-CG 3.4Å; G157-R161 PolarHBondContact O-N 3.48Å |
| 158 | L | 89.9 | Confident | 88 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 178.6 | -75 | 171 | 0 | 0 | 0 | 112.4 | T81 L84 D85 I128 L131 V154 V155 T160 R161 L162 | T81-L158 HydrophobicContact CG2-CD1 4.14Å; L84-L158 HydrophobicContact CB-CD1 4.19Å; L84-L158 HydrophobicContact CB-CD2 4.13Å; L84-L158 HydrophobicContact CD1-CD1 4.5Å; D85-L158 HydrophobicContact CB-CD2 3.98Å; I128-L158 HydrophobicContact CD1-CB 4.21Å; I128-L158 HydrophobicContact CG1-CB 4.49Å; L131-L158 HydrophobicContact CD2-CD1 3.59Å; V154-L158 HydrophobicContact CG1-CD1 4.36Å; V154-L158 PolarHBondContact O-N 3.06Å; V155-L158 PolarHBondContact O-N 3.34Å; L158-T160 PolarHBondContact O-N 2.75Å; L158-R161 PolarHBondContact O-N 2.78Å; L158-L162 PolarHBondContact O-N 2.95Å |
| 159 | N | 90.1 | Very high | 88.5 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.4 | -79.6 | -84.2 | 0 | 0 | 0 | 111.9 | V155 G157 R161 L162 D163 | V155-N159 PolarHBondContact O-N 3.04Å; V155-N159 PolarHBondContact O-ND2 3.15Å; G157-N159 PolarHBondContact O-N 3.3Å; N159-R161 VanDerWaalsContact C-N 3.29Å; N159-R161 PolarHBondContact O-N 3.39Å; N159-L162 PolarHBondContact O-N 3.06Å; N159-D163 PolarHBondContact O-N 2.98Å |
| 160 | T | 90.6 | Very high | 88.7 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | H156 G157 L158 S164 | H156-T160 WeakPolarHBondContact O-CB 3.4Å; H156-T160 PolarHBondContact O-N 2.93Å; H156-T160 PolarHBondContact O-OG1 2.87Å; G157-T160 WeakPolarHBondContact O-CB 3.21Å; G157-T160 PolarHBondContact O-N 3.2Å; G157-T160 VanDerWaalsContact O-N 3.15Å; L158-T160 PolarHBondContact O-N 2.75Å; T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 2.82Å; T160-S164 VanDerWaalsContact O-N 3.12Å |
| 161 | R | 89.6 | Confident | 88.9 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 172.7 | -68.4 | -170.7 | 76.2 | 163.1 | 5.6 | 112.3 | D85 L89 E92 G157 L158 N159 S164 L165 | D85-R161 WeakPolarHBondContact OD1-CD 2.78Å; D85-R161 IonicContact OD1-CZ 3.44Å; D85-R161 IonicContact OD1-NE 2.7Å; D85-R161 IonicContact OD1-NH1 3.26Å; D85-R161 PolarHBondContact OD1-NH1 3.41Å; D85-R161 IonicContact OD2-NH1 3.98Å; D85-R161 PolarHBondContact OD2-NH1 3.08Å; L89-R161 VanDerWaalsContact CG-NH2 3.33Å; E92-R161 IonicContact OE1-CZ 3.28Å; E92-R161 IonicContact OE1-NE 2.72Å; E92-R161 PolarHBondContact OE1-NE 3.32Å; E92-R161 IonicContact OE1-NH2 4Å; E92-R161 PolarHBondContact OE1-NH2 3.44Å; E92-R161 IonicContact OE2-CZ 3.5Å; E92-R161 IonicContact OE2-NH2 3.62Å; E92-R161 PolarHBondContact OE2-NH2 3.4Å; G157-R161 WeakPolarHBondContact O-CG 3.4Å; G157-R161 PolarHBondContact O-N 3.48Å; L158-R161 PolarHBondContact O-N 2.78Å; N159-R161 VanDerWaalsContact C-N 3.29Å; N159-R161 PolarHBondContact O-N 3.39Å; R161-S164 WeakPolarHBondContact O-CB 3.25Å; R161-S164 PolarHBondContact O-N 2.98Å; R161-L165 WeakPolarHBondContact O-CB 3.41Å; R161-L165 PolarHBondContact O-N 3.1Å |
| 162 | L | 91.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.9 | -178.4 | 66.9 | 0 | 0 | 0 | 111.4 | I121 L124 K125 I128 L158 N159 S164 L165 E166 | I121-L162 HydrophobicContact CG2-CD1 4.39Å; L124-L162 HydrophobicContact CD2-CD1 3.85Å; L124-L162 HydrophobicContact CG-CD1 4.18Å; K125-L162 HydrophobicContact CB-CD1 4.5Å; K125-L162 HydrophobicContact CB-CD2 4.07Å; K125-L162 HydrophobicContact CG-CD2 4.01Å; I128-L162 HydrophobicContact CD1-CB 4.1Å; I128-L162 HydrophobicContact CD1-CD2 4.22Å; L158-L162 PolarHBondContact O-N 2.95Å; N159-L162 PolarHBondContact O-N 3.06Å; L162-S164 VanDerWaalsContact C-N 3.29Å; L162-S164 PolarHBondContact O-N 3.32Å; L162-L165 PolarHBondContact O-N 2.65Å; L162-L165 VanDerWaalsContact O-N 3.15Å; L162-E166 HydrophobicContact CD1-CG 4.46Å; L162-E166 PolarHBondContact O-N 3.25Å |
| 163 | D | 90.8 | Very high | 89.1 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.8 | -42.1 | 174.9 | -76.5 | -21.1 | 0 | 0 | 0 | 111.8 | N159 S167 | N159-D163 PolarHBondContact O-N 2.98Å; D163-S167 WeakPolarHBondContact O-CB 3.44Å; D163-S167 PolarHBondContact O-N 2.82Å |
| 164 | S | 90.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | T160 R161 L162 A168 | T160-S164 WeakPolarHBondContact O-CB 3.48Å; T160-S164 PolarHBondContact O-N 2.82Å; T160-S164 VanDerWaalsContact O-N 3.12Å; R161-S164 WeakPolarHBondContact O-CB 3.25Å; R161-S164 PolarHBondContact O-N 2.98Å; L162-S164 VanDerWaalsContact C-N 3.29Å; L162-S164 PolarHBondContact O-N 3.32Å; S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 2.73Å |
| 165 | L | 91 | Very high | 89 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71 | -43.8 | 178.5 | 178 | 61.3 | 0 | 0 | 0 | 111.7 | L91 E92 L95 I121 L124 R161 L162 A168 Y169 | L91-L165 HydrophobicContact CB-CD1 4.21Å; L91-L165 HydrophobicContact CB-CD2 3.68Å; L91-L165 HydrophobicContact CD1-CD2 4.03Å; E92-L165 HydrophobicContact CG-CD1 4.15Å; L95-L165 HydrophobicContact CD2-CD1 3.85Å; I121-L165 HydrophobicContact CD1-CD2 4.49Å; I121-L165 HydrophobicContact CD1-CG 4.01Å; I121-L165 HydrophobicContact CG1-CD2 3.93Å; I121-L165 HydrophobicContact CG1-CG 4Å; L124-L165 HydrophobicContact CD2-CD2 3.92Å; R161-L165 WeakPolarHBondContact O-CB 3.41Å; R161-L165 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 2.65Å; L162-L165 VanDerWaalsContact O-N 3.15Å; L165-A168 PolarHBondContact O-N 3.29Å; L165-Y169 VanDerWaalsContact O-CB 3.26Å; L165-Y169 WeakPolarHBondContact O-CB 3.25Å; L165-Y169 PolarHBondContact O-N 3.35Å |
| 166 | E | 91.7 | Very high | 89 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 172.7 | -77.3 | -172.2 | -172 | 0 | 0 | 111.2 | I121 K125 L162 Y169 A170 | I121-E166 HydrophobicContact CG2-CG 3.63Å; K125-E166 VanDerWaalsContact NZ-CD 3.31Å; K125-E166 IonicContact NZ-OE1 3.07Å; K125-E166 PolarHBondContact NZ-OE1 3.18Å; K125-E166 IonicContact NZ-OE2 3.41Å; K125-E166 PolarHBondContact NZ-OE2 2.88Å; L162-E166 HydrophobicContact CD1-CG 4.46Å; L162-E166 PolarHBondContact O-N 3.25Å; E166-Y169 PolarHBondContact O-N 3.47Å; E166-A170 WeakPolarHBondContact O-CB 3.49Å; E166-A170 PolarHBondContact O-N 3.42Å |
| 167 | S | 90.2 | Very high | 88.9 | Confident | 78 Ų | 78 | 62 Ų | 62 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | D163 K171 | D163-S167 WeakPolarHBondContact O-CB 3.44Å; D163-S167 PolarHBondContact O-N 2.82Å; S167-K171 VanDerWaalsContact O-CB 3.23Å; S167-K171 WeakPolarHBondContact O-CB 3.42Å; S167-K171 PolarHBondContact O-N 3.39Å |
| 168 | A | 88.6 | Confident | 88.8 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L95 S164 L165 K171 R172 | L95-A168 HydrophobicContact CD2-CB 3.69Å; S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 2.73Å; L165-A168 PolarHBondContact O-N 3.29Å; A168-K171 PolarHBondContact O-N 3.08Å; A168-R172 WeakPolarHBondContact O-CB 3.43Å; A168-R172 PolarHBondContact O-N 3.36Å |
| 169 | Y | 91.1 | Very high | 88.6 | Confident | 38 Ų | 38 | 63 Ų | 63 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -55.6 | 177.4 | 169 | -98.6 | 0 | 0 | 0 | 110.2 | L95 Y114 V117 S118 I121 L165 E166 K171 R172 F173 | L95-Y169 HydrophobicContact CD1-CD2 4.49Å; Y114-Y169 HydrophobicContact CD1-CD2 4.15Å; Y114-Y169 AromaticContact CD1-CE2 3.81Å; Y114-Y169 HydrophobicContact CD1-CE2 3.81Å; V117-Y169 HydrophobicContact CB-CD2 4.27Å; V117-Y169 HydrophobicContact CB-CE2 4.4Å; V117-Y169 HydrophobicContact CG1-CD2 3.66Å; V117-Y169 HydrophobicContact CG1-CE2 4.24Å; V117-Y169 HydrophobicContact CG1-CG 4.48Å; S118-Y169 WeakPolarHBondContact CB-OH 3Å; I121-Y169 HydrophobicContact CD1-CD1 4.3Å; I121-Y169 HydrophobicContact CD1-CD2 4.22Å; I121-Y169 HydrophobicContact CD1-CG 3.81Å; L165-Y169 VanDerWaalsContact O-CB 3.26Å; L165-Y169 WeakPolarHBondContact O-CB 3.25Å; L165-Y169 PolarHBondContact O-N 3.35Å; E166-Y169 PolarHBondContact O-N 3.47Å; Y169-K171 VanDerWaalsContact C-N 3.26Å; Y169-K171 PolarHBondContact O-N 3.35Å; Y169-R172 PolarHBondContact O-N 3.22Å; Y169-R172 VanDerWaalsContact O-N 3.11Å; Y169-F173 HydrophobicContact CE1-CB 4.46Å; Y169-F173 HydrophobicContact CE2-CB 4.4Å; Y169-F173 HydrophobicContact CE2-CD2 4.49Å; Y169-F173 VanDerWaalsContact O-CB 3.22Å; Y169-F173 WeakPolarHBondContact O-CB 3.33Å; Y169-F173 PolarHBondContact O-N 2.97Å |
| 170 | A | 88.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 45% | 0.446 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.5 | -39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E166 K174 | E166-A170 WeakPolarHBondContact O-CB 3.49Å; E166-A170 PolarHBondContact O-N 3.42Å; A170-K174 VanDerWaalsContact O-CB 3.23Å; A170-K174 WeakPolarHBondContact O-CB 3.4Å; A170-K174 PolarHBondContact O-N 3.22Å |
| 171 | K | 87.2 | Confident | 88.1 | Confident | 160 Ų | 160 | 64.2 Ų | 64.2 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.1 | -33.7 | 178.4 | -173.8 | 178 | 179.5 | -178 | 0 | 113.6 | S167 A168 Y169 | S167-K171 VanDerWaalsContact O-CB 3.23Å; S167-K171 WeakPolarHBondContact O-CB 3.42Å; S167-K171 PolarHBondContact O-N 3.39Å; A168-K171 PolarHBondContact O-N 3.08Å; Y169-K171 VanDerWaalsContact C-N 3.26Å; Y169-K171 PolarHBondContact O-N 3.35Å |
| 172 | R | 85.4 | Confident | 87.9 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 21% | 0.208 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -82.6 | -44.2 | 177.4 | -146.9 | -173.4 | 168.1 | 145.8 | 3.2 | 110.7 | L95 S96 Y114 A168 Y169 K174 K175 F176 F250 | L95-R172 HydrophobicContact CD1-CB 4.19Å; L95-R172 WeakPolarHBondContact O-CD 3.24Å; L95-R172 PolarHBondContact O-NH1 3.07Å; S96-R172 PolarHBondContact O-NH1 3.02Å; Y114-R172 HydrophobicContact CE1-CB 4.28Å; Y114-R172 WeakPolarHBondContact OH-CD 3.05Å; Y114-R172 VanDerWaalsContact OH-CG 3.23Å; Y114-R172 WeakPolarHBondContact OH-CG 3.45Å; A168-R172 WeakPolarHBondContact O-CB 3.43Å; A168-R172 PolarHBondContact O-N 3.36Å; Y169-R172 PolarHBondContact O-N 3.22Å; Y169-R172 VanDerWaalsContact O-N 3.11Å; R172-K174 PolarHBondContact O-N 3.29Å; R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.4Å; R172-K175 VanDerWaalsContact O-N 3.13Å; R172-F176 PolarHBondContact O-N 3.29Å; R172-F250 HydrophobicContact CG-CE1 4.22Å; R172-F250 HydrophobicContact CG-CZ 4.46Å |
| 173 | F | 88.2 | Confident | 87.7 | Confident | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 175.5 | -175.5 | -100 | 0 | 0 | 0 | 112 | Y114 Y169 K175 F176 E177 | Y114-F173 HydrophobicContact CD1-CB 4.22Å; Y114-F173 AromaticContact CD1-CD2 3.91Å; Y114-F173 HydrophobicContact CD1-CD2 3.91Å; Y114-F173 HydrophobicContact CD2-CD2 4.16Å; Y114-F173 HydrophobicContact CE1-CB 4.32Å; Y114-F173 AromaticContact CG-CD2 3.67Å; Y114-F173 HydrophobicContact CG-CD2 3.67Å; Y114-F173 HydrophobicContact CG-CE2 4.34Å; Y169-F173 HydrophobicContact CE1-CB 4.46Å; Y169-F173 HydrophobicContact CE2-CB 4.4Å; Y169-F173 HydrophobicContact CE2-CD2 4.49Å; Y169-F173 VanDerWaalsContact O-CB 3.22Å; Y169-F173 WeakPolarHBondContact O-CB 3.33Å; Y169-F173 PolarHBondContact O-N 2.97Å; F173-K175 PolarHBondContact O-N 2.87Å; F173-K175 VanDerWaalsContact O-N 3.12Å; F173-F176 HydrophobicContact CD2-CD1 4.32Å; F173-F176 HydrophobicContact CE2-CD1 4.23Å; F173-F176 CarbonylContact O-C 3.42Å; F173-F176 WeakPolarHBondContact O-CA 3.18Å; F173-F176 WeakPolarHBondContact O-CB 3.13Å; F173-F176 PolarHBondContact O-N 3.07Å; F173-E177 HydrophobicContact CE1-CB 4.41Å; F173-E177 WeakPolarHBondContact O-CB 3.46Å; F173-E177 PolarHBondContact O-N 2.92Å |
| 174 | K | 86.8 | Confident | 87.4 | Confident | 139 Ų | 139 | 66.8 Ų | 66.8 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.4 | -23.4 | 178.1 | -177.6 | 159.6 | -175 | 156.9 | 0 | 114.5 | A170 R172 V178 | A170-K174 VanDerWaalsContact O-CB 3.23Å; A170-K174 WeakPolarHBondContact O-CB 3.4Å; A170-K174 PolarHBondContact O-N 3.22Å; R172-K174 PolarHBondContact O-N 3.29Å; K174-V178 WeakPolarHBondContact O-CG2 3.42Å; K174-V178 PolarHBondContact O-N 3.14Å |
| 175 | K | 84.5 | Confident | 87.2 | Confident | 130 Ų | 130 | 66.2 Ų | 66.2 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -79.7 | -35.6 | 172.3 | -73.3 | -173.1 | 168 | -161.5 | 0 | 112.4 | R172 F173 A179 F250 | R172-K175 WeakPolarHBondContact O-CB 3.46Å; R172-K175 PolarHBondContact O-N 3.4Å; R172-K175 VanDerWaalsContact O-N 3.13Å; F173-K175 PolarHBondContact O-N 2.87Å; F173-K175 VanDerWaalsContact O-N 3.12Å; K175-A179 PolarHBondContact O-N 2.83Å; K175-F250 HydrophobicContact CB-CE1 4.29Å; K175-F250 HydrophobicContact CB-CE2 3.57Å; K175-F250 HydrophobicContact CB-CZ 3.39Å; K175-F250 HydrophobicContact CD-CE2 4.16Å; K175-F250 HydrophobicContact CD-CZ 4.03Å; K175-F250 HydrophobicContact CG-CZ 4.39Å |
| 176 | F | 85.9 | Confident | 87 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 173.1 | 170.5 | -102.9 | 0 | 0 | 0 | 111.3 | L107 H110 E111 Y114 R172 F173 V178 A179 L180 F250 | L107-F176 HydrophobicContact CD1-CE2 3.95Å; L107-F176 HydrophobicContact CG-CE2 4.17Å; L107-F176 WeakPolarHBondContact O-CE2 3.18Å; L107-F176 WeakPolarHBondContact O-CZ 3.4Å; H110-F176 HydrophobicContact CB-CD2 3.88Å; H110-F176 HydrophobicContact CB-CE2 3.45Å; H110-F176 VanDerWaalsContact CB-CE2 3.45Å; H110-F176 HydrophobicContact CB-CZ 4.13Å; E111-F176 HydrophobicContact CB-CE1 4.12Å; E111-F176 HydrophobicContact CB-CZ 3.8Å; E111-F176 HydrophobicContact CG-CE1 4.07Å; E111-F176 HydrophobicContact CG-CZ 4.21Å; Y114-F176 HydrophobicContact CD2-CB 4.12Å; Y114-F176 AromaticContact CD2-CD1 3.52Å; Y114-F176 HydrophobicContact CD2-CD1 3.52Å; Y114-F176 HydrophobicContact CD2-CD2 4.29Å; Y114-F176 AromaticContact CD2-CE1 3.98Å; Y114-F176 HydrophobicContact CD2-CE1 3.98Å; Y114-F176 AromaticContact CD2-CG 3.7Å; Y114-F176 HydrophobicContact CD2-CG 3.7Å; Y114-F176 HydrophobicContact CE2-CB 3.49Å; Y114-F176 VanDerWaalsContact CE2-CB 3.49Å; Y114-F176 AromaticContact CE2-CD1 3.8Å; Y114-F176 HydrophobicContact CE2-CD1 3.8Å; Y114-F176 AromaticContact CE2-CD2 3.96Å; Y114-F176 HydrophobicContact CE2-CD2 3.96Å; Y114-F176 AromaticContact CE2-CG 3.45Å; Y114-F176 HydrophobicContact CE2-CG 3.45Å; Y114-F176 VanDerWaalsContact CE2-CG 3.45Å; Y114-F176 HydrophobicContact CG-CD1 4.49Å; R172-F176 PolarHBondContact O-N 3.29Å; F173-F176 HydrophobicContact CD2-CD1 4.32Å; F173-F176 HydrophobicContact CE2-CD1 4.23Å; F173-F176 CarbonylContact O-C 3.42Å; F173-F176 WeakPolarHBondContact O-CA 3.18Å; F173-F176 WeakPolarHBondContact O-CB 3.13Å; F173-F176 PolarHBondContact O-N 3.07Å; F176-V178 VanDerWaalsContact C-N 3.35Å; F176-V178 PolarHBondContact O-N 3.14Å; F176-A179 CarbonylContact O-C 3.59Å; F176-A179 WeakPolarHBondContact O-CA 3.5Å; F176-A179 VanDerWaalsContact O-CB 3.31Å; F176-A179 WeakPolarHBondContact O-CB 3.45Å; F176-A179 PolarHBondContact O-N 3.19Å; F176-L180 HydrophobicContact CE1-CD2 3.95Å; F176-L180 HydrophobicContact CZ-CD2 4.17Å; F176-L180 WeakPolarHBondContact O-CB 3.46Å; F176-L180 PolarHBondContact O-N 2.84Å; F176-F250 HydrophobicContact CB-CD1 3.79Å; F176-F250 HydrophobicContact CB-CE1 4.03Å; F176-F250 HydrophobicContact CB-CG 4.45Å; F176-F250 HydrophobicContact CD2-CB 4.29Å; F176-F250 HydrophobicContact CD2-CD1 4.21Å; F176-F250 HydrophobicContact CG-CD1 4.49Å |
| 177 | E | 85.7 | Confident | 86.8 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -49.6 | -51.1 | 173.3 | -177.5 | 178.3 | -127.5 | 0 | 0 | 111.6 | F173 A179 L180 E181 | F173-E177 HydrophobicContact CE1-CB 4.41Å; F173-E177 WeakPolarHBondContact O-CB 3.46Å; F173-E177 PolarHBondContact O-N 2.92Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 3.44Å; E177-L180 PolarHBondContact O-N 3.45Å; E177-E181 WeakPolarHBondContact O-CG 3.44Å; E177-E181 PolarHBondContact O-N 3.46Å |
| 178 | V | 87.2 | Confident | 86.6 | Confident | 57 Ų | 57 | 70.7 Ų | 70.7 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -26.6 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 113.2 | K174 F176 Q182 | K174-V178 WeakPolarHBondContact O-CG2 3.42Å; K174-V178 PolarHBondContact O-N 3.14Å; F176-V178 VanDerWaalsContact C-N 3.35Å; F176-V178 PolarHBondContact O-N 3.14Å; V178-Q182 WeakPolarHBondContact O-CG 3.35Å; V178-Q182 PolarHBondContact O-N 2.62Å; V178-Q182 PolarHBondContact O-NE2 3.39Å |
| 179 | A | 84.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K175 F176 E177 Q182 W183 H247 F250 I251 | K175-A179 PolarHBondContact O-N 2.83Å; F176-A179 CarbonylContact O-C 3.59Å; F176-A179 WeakPolarHBondContact O-CA 3.5Å; F176-A179 VanDerWaalsContact O-CB 3.31Å; F176-A179 WeakPolarHBondContact O-CB 3.45Å; F176-A179 PolarHBondContact O-N 3.19Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 3.44Å; A179-Q182 PolarHBondContact O-N 3.02Å; A179-W183 WeakPolarHBondContact O-CB 3.21Å; A179-W183 PolarHBondContact O-N 2.78Å; A179-H247 HydrophobicContact CB-CB 4.01Å; A179-H247 WeakPolarHBondContact CB-ND1 3.49Å; A179-F250 HydrophobicContact CB-CB 4.29Å; A179-I251 HydrophobicContact CB-CD1 4.3Å; A179-I251 HydrophobicContact CB-CG1 4.33Å |
| 180 | L | 85.7 | Confident | 86.6 | Confident | 29 Ų | 29 | 70 Ų | 70 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 179.6 | -177.6 | 62.9 | 0 | 0 | 0 | 111.8 | L107 F176 E177 Q182 W183 Q184 | L107-L180 HydrophobicContact CD2-CD1 3.52Å; L107-L180 HydrophobicContact CG-CD1 4.03Å; F176-L180 HydrophobicContact CE1-CD2 3.95Å; F176-L180 HydrophobicContact CZ-CD2 4.17Å; F176-L180 WeakPolarHBondContact O-CB 3.46Å; F176-L180 PolarHBondContact O-N 2.84Å; E177-L180 PolarHBondContact O-N 3.45Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 3.07Å; L180-W183 PolarHBondContact O-N 3.12Å; L180-Q184 HydrophobicContact CD1-CG 4.15Å; L180-Q184 HydrophobicContact CG-CG 4.45Å; L180-Q184 WeakPolarHBondContact O-CB 3.26Å; L180-Q184 VanDerWaalsContact O-CG 3.26Å; L180-Q184 WeakPolarHBondContact O-CG 3.44Å; L180-Q184 PolarHBondContact O-N 2.64Å |
| 181 | E | 85.8 | Confident | 86.5 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 174.5 | -74.9 | -175.6 | 147 | 0 | 0 | 112.1 | E177 S185 | E177-E181 WeakPolarHBondContact O-CG 3.44Å; E177-E181 PolarHBondContact O-N 3.46Å; E181-S185 VanDerWaalsContact O-CB 3.27Å; E181-S185 WeakPolarHBondContact O-CB 3.18Å; E181-S185 PolarHBondContact O-N 2.73Å |
| 182 | Q | 85.3 | Confident | 86.5 | Confident | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 177.1 | -76.1 | 172.7 | 85.5 | 0 | 0 | 111.8 | V178 A179 L180 S185 L186 M243 H247 | V178-Q182 WeakPolarHBondContact O-CG 3.35Å; V178-Q182 PolarHBondContact O-N 2.62Å; V178-Q182 PolarHBondContact O-NE2 3.39Å; A179-Q182 PolarHBondContact O-N 3.02Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 3.07Å; Q182-S185 WeakPolarHBondContact O-CB 3.35Å; Q182-S185 PolarHBondContact O-N 3.15Å; Q182-L186 WeakPolarHBondContact O-CB 3.49Å; Q182-L186 PolarHBondContact O-N 3.25Å; Q182-M243 HydrophobicContact CB-CE 3.75Å; Q182-M243 HydrophobicContact CB-CG 4.38Å; Q182-M243 HydrophobicContact CB-SD 3.69Å; Q182-H247 PolarHBondContact NE2-NE2 2.87Å |
| 183 | W | 86.5 | Confident | 86.7 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | 179.8 | -172.7 | 93.5 | 0 | 0 | 0 | 111.4 | L107 A179 L180 S185 L186 H187 M243 L259 | L107-W183 HydrophobicContact CD2-CB 3.71Å; L107-W183 HydrophobicContact CD2-CD2 3.49Å; L107-W183 VanDerWaalsContact CD2-CD2 3.49Å; L107-W183 HydrophobicContact CD2-CE3 3.7Å; L107-W183 HydrophobicContact CD2-CG 3.5Å; A179-W183 WeakPolarHBondContact O-CB 3.21Å; A179-W183 PolarHBondContact O-N 2.78Å; L180-W183 PolarHBondContact O-N 3.12Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.48Å; W183-L186 PolarHBondContact O-N 2.9Å; W183-H187 HydrophobicContact CE3-CB 4.37Å; W183-H187 HydrophobicContact CH2-CB 4.49Å; W183-H187 AromaticContact CH2-CD2 3.54Å; W183-H187 HydrophobicContact CZ3-CB 4.26Å; W183-H187 VanDerWaalsContact O-CB 3.29Å; W183-H187 WeakPolarHBondContact O-CB 3.3Å; W183-H187 PolarHBondContact O-N 3.47Å; W183-M243 HydrophobicContact CB-CE 3.8Å; W183-L259 HydrophobicContact CG-CD1 4.45Å |
| 184 | Q | 85.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.9 | -72.3 | 177.5 | -2.7 | 0 | 0 | 111.8 | L180 Q188 | L180-Q184 HydrophobicContact CD1-CG 4.15Å; L180-Q184 HydrophobicContact CG-CG 4.45Å; L180-Q184 WeakPolarHBondContact O-CB 3.26Å; L180-Q184 VanDerWaalsContact O-CG 3.26Å; L180-Q184 WeakPolarHBondContact O-CG 3.44Å; L180-Q184 PolarHBondContact O-N 2.64Å; Q184-Q188 VanDerWaalsContact O-CB 3.22Å; Q184-Q188 WeakPolarHBondContact O-CB 3.33Å; Q184-Q188 PolarHBondContact O-N 3.41Å |
| 185 | S | 86.3 | Confident | 86.7 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | E181 Q182 W183 Q188 R189 | E181-S185 VanDerWaalsContact O-CB 3.27Å; E181-S185 WeakPolarHBondContact O-CB 3.18Å; E181-S185 PolarHBondContact O-N 2.73Å; Q182-S185 WeakPolarHBondContact O-CB 3.35Å; Q182-S185 PolarHBondContact O-N 3.15Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.48Å; S185-Q188 PolarHBondContact O-N 3.31Å; S185-R189 WeakPolarHBondContact O-CG 3.39Å; S185-R189 PolarHBondContact O-N 3.31Å |
| 186 | L | 86.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | -179.9 | -169.1 | 64.3 | 0 | 0 | 0 | 111.8 | Q182 W183 Q188 R189 L190 M236 Q239 L240 M243 L259 | Q182-L186 WeakPolarHBondContact O-CB 3.49Å; Q182-L186 PolarHBondContact O-N 3.25Å; W183-L186 PolarHBondContact O-N 2.9Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.24Å; L186-R189 PolarHBondContact O-N 3.29Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.46Å; L186-M236 HydrophobicContact CD1-CB 3.93Å; L186-M236 HydrophobicContact CD1-CE 3.73Å; L186-M236 HydrophobicContact CD1-CG 3.81Å; L186-M236 HydrophobicContact CG-CE 4.33Å; L186-M236 WeakPolarHBondContact O-CE 3.48Å; L186-Q239 HydrophobicContact CD1-CB 4.29Å; L186-L240 HydrophobicContact CD2-CB 3.99Å; L186-L240 HydrophobicContact CD2-CD1 3.73Å; L186-L240 HydrophobicContact CD2-CG 4.45Å; L186-M243 HydrophobicContact CD2-SD 4.21Å; L186-L259 HydrophobicContact CD2-CD1 4.13Å |
| 187 | H | 86.5 | Confident | 87 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 38% | 0.375 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 173.3 | -178.8 | -68 | 0 | 0 | 0 | 112 | W183 L190 F191 L259 | W183-H187 HydrophobicContact CE3-CB 4.37Å; W183-H187 HydrophobicContact CH2-CB 4.49Å; W183-H187 AromaticContact CH2-CD2 3.54Å; W183-H187 HydrophobicContact CZ3-CB 4.26Å; W183-H187 VanDerWaalsContact O-CB 3.29Å; W183-H187 WeakPolarHBondContact O-CB 3.3Å; W183-H187 PolarHBondContact O-N 3.47Å; H187-L190 PolarHBondContact O-N 3.06Å; H187-F191 WeakPolarHBondContact O-CB 3.49Å; H187-F191 PolarHBondContact O-N 3.21Å; H187-L259 HydrophobicContact CB-CD2 4.31Å |
| 188 | Q | 86.7 | Confident | 87.1 | Confident | 148 Ų | 148 | 60.4 Ų | 60.4 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.5 | -37 | 177.4 | -171.9 | 172.3 | 25.7 | 0 | 0 | 112.4 | Q184 S185 L186 A192 | Q184-Q188 VanDerWaalsContact O-CB 3.22Å; Q184-Q188 WeakPolarHBondContact O-CB 3.33Å; Q184-Q188 PolarHBondContact O-N 3.41Å; S185-Q188 PolarHBondContact O-N 3.31Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.24Å; Q188-A192 PolarHBondContact O-N 3.41Å; Q188-A192 VanDerWaalsContact O-N 3.12Å |
| 189 | R | 89.9 | Confident | 87 | Confident | 58 Ų | 58 | 63 Ų | 63 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 172 | -73.2 | 176.7 | 69.6 | -151.7 | -0.1 | 111.5 | S185 L186 F191 A192 L193 E232 M236 Q239 | S185-R189 WeakPolarHBondContact O-CG 3.39Å; S185-R189 PolarHBondContact O-N 3.31Å; L186-R189 PolarHBondContact O-N 3.29Å; R189-F191 PolarHBondContact O-N 3.25Å; R189-A192 PolarHBondContact O-N 3.38Å; R189-L193 WeakPolarHBondContact O-CB 3.48Å; R189-L193 PolarHBondContact O-N 3.42Å; R189-E232 IonicContact CZ-OE1 2.66Å; R189-E232 IonicContact NE-OE1 3.36Å; R189-E232 PolarHBondContact NE-OE1 3.01Å; R189-E232 VanDerWaalsContact NE-OE1 3.13Å; R189-E232 IonicContact NH2-OE1 2.68Å; R189-E232 PolarHBondContact NH2-OE1 3.31Å; R189-M236 HydrophobicContact CB-CE 3.75Å; R189-M236 HydrophobicContact CB-SD 3.88Å; R189-M236 VanDerWaalsContact CZ-CG 3.43Å; R189-M236 VanDerWaalsContact NH1-CG 3.34Å; R189-Q239 VanDerWaalsContact NH1-NE2 3.13Å |
| 190 | L | 89 | Confident | 86.8 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 176.5 | 177.1 | 60.4 | 0 | 0 | 0 | 111.7 | L186 H187 A192 L193 M194 M236 L259 E262 L263 V266 | L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 PolarHBondContact O-N 3.46Å; H187-L190 PolarHBondContact O-N 3.06Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.49Å; L190-L193 WeakPolarHBondContact O-CB 3.49Å; L190-L193 PolarHBondContact O-N 3.29Å; L190-M194 HydrophobicContact CD1-CG 4.37Å; L190-M194 HydrophobicContact CG-CE 4.23Å; L190-M194 WeakPolarHBondContact O-CG 3.49Å; L190-M194 PolarHBondContact O-N 3.1Å; L190-M236 HydrophobicContact CB-CE 3.77Å; L190-L259 HydrophobicContact CD2-CD2 3.61Å; L190-E262 HydrophobicContact CD1-CB 4.27Å; L190-E262 HydrophobicContact CD2-CB 3.7Å; L190-E262 HydrophobicContact CD2-CG 4.46Å; L190-E262 HydrophobicContact CG-CB 4.46Å; L190-L263 HydrophobicContact CD1-CD2 4Å; L190-L263 HydrophobicContact CD1-CG 4.11Å; L190-V266 HydrophobicContact CD1-CG2 4.4Å |
| 191 | F | 87.5 | Confident | 86.8 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 178.1 | -164.2 | -88.6 | 0 | 0 | 0 | 112.8 | H187 R189 M194 A195 | H187-F191 WeakPolarHBondContact O-CB 3.49Å; H187-F191 PolarHBondContact O-N 3.21Å; R189-F191 PolarHBondContact O-N 3.25Å; F191-M194 HydrophobicContact CD2-CE 4.06Å; F191-A195 WeakPolarHBondContact O-CB 3.45Å; F191-A195 PolarHBondContact O-N 2.67Å; F191-A195 VanDerWaalsContact O-N 3.11Å |
| 192 | A | 86.8 | Confident | 86.6 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q188 R189 L190 W196 | Q188-A192 PolarHBondContact O-N 3.41Å; Q188-A192 VanDerWaalsContact O-N 3.12Å; R189-A192 PolarHBondContact O-N 3.38Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.49Å; A192-W196 WeakPolarHBondContact O-CB 3.49Å; A192-W196 PolarHBondContact O-N 2.93Å |
| 193 | L | 89.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 177.8 | -173.8 | 67.3 | 0 | 0 | 0 | 112 | R189 L190 W196 L197 T229 V233 M236 V266 | R189-L193 WeakPolarHBondContact O-CB 3.48Å; R189-L193 PolarHBondContact O-N 3.42Å; L190-L193 WeakPolarHBondContact O-CB 3.49Å; L190-L193 PolarHBondContact O-N 3.29Å; L193-W196 PolarHBondContact O-N 3.33Å; L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 PolarHBondContact O-N 3.02Å; L193-T229 HydrophobicContact CD1-CG2 4.11Å; L193-V233 HydrophobicContact CD2-CG2 3.61Å; L193-M236 HydrophobicContact CD2-SD 4.43Å; L193-V266 HydrophobicContact CD2-CG1 3.68Å; L193-V266 HydrophobicContact CG-CG1 3.97Å |
| 194 | M | 88.2 | Confident | 85.7 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 172.8 | -70.7 | -169.8 | -65.7 | 0 | 0 | 111.8 | L190 F191 W196 L197 E198 V266 | L190-M194 HydrophobicContact CD1-CG 4.37Å; L190-M194 HydrophobicContact CG-CE 4.23Å; L190-M194 WeakPolarHBondContact O-CG 3.49Å; L190-M194 PolarHBondContact O-N 3.1Å; F191-M194 HydrophobicContact CD2-CE 4.06Å; M194-W196 VanDerWaalsContact C-N 3.29Å; M194-W196 PolarHBondContact O-N 3.1Å; M194-L197 WeakPolarHBondContact O-CB 3.43Å; M194-L197 PolarHBondContact O-N 2.91Å; M194-L197 VanDerWaalsContact O-N 3.14Å; M194-E198 PolarHBondContact O-N 3.25Å; M194-V266 HydrophobicContact CG-CG2 3.69Å |
| 195 | A | 86.6 | Confident | 85.2 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -31.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | F191 Q199 | F191-A195 WeakPolarHBondContact O-CB 3.45Å; F191-A195 PolarHBondContact O-N 2.67Å; F191-A195 VanDerWaalsContact O-N 3.11Å; A195-Q199 WeakPolarHBondContact O-CB 3.36Å; A195-Q199 PolarHBondContact O-N 2.71Å |
| 196 | W | 89.6 | Confident | 84.5 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 170.3 | 176.5 | 93 | 0 | 0 | 0 | 111.5 | A192 L193 M194 Q199 A200 D225 I226 T229 L270 | A192-W196 WeakPolarHBondContact O-CB 3.49Å; A192-W196 PolarHBondContact O-N 2.93Å; L193-W196 PolarHBondContact O-N 3.33Å; M194-W196 VanDerWaalsContact C-N 3.29Å; M194-W196 PolarHBondContact O-N 3.1Å; W196-Q199 CarbonylContact O-C 3.6Å; W196-Q199 WeakPolarHBondContact O-CA 3.39Å; W196-Q199 WeakPolarHBondContact O-CB 3.4Å; W196-Q199 PolarHBondContact O-N 3.39Å; W196-Q199 VanDerWaalsContact O-N 3.16Å; W196-A200 HydrophobicContact CE3-CB 4.47Å; W196-A200 HydrophobicContact CH2-CB 3.98Å; W196-A200 HydrophobicContact CZ2-CB 4.14Å; W196-A200 HydrophobicContact CZ3-CB 4.14Å; W196-A200 PolarHBondContact O-N 3.37Å; W196-D225 HydrophobicContact CH2-CB 4.15Å; W196-D225 HydrophobicContact CZ2-CB 3.59Å; W196-I226 HydrophobicContact CH2-CG1 4.11Å; W196-T229 HydrophobicContact CD2-CG2 4.29Å; W196-T229 HydrophobicContact CE3-CG2 4.1Å; W196-T229 HydrophobicContact CH2-CG2 4.2Å; W196-T229 HydrophobicContact CZ2-CG2 4.38Å; W196-T229 HydrophobicContact CZ3-CG2 4.06Å; W196-L270 HydrophobicContact CZ3-CD2 3.91Å |
| 197 | L | 88.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | -179.2 | 179.9 | 66.4 | 0 | 0 | 0 | 111.9 | L193 M194 Q199 A200 E201 V266 R269 L270 L273 | L193-L197 WeakPolarHBondContact O-CB 3.25Å; L193-L197 PolarHBondContact O-N 3.02Å; M194-L197 WeakPolarHBondContact O-CB 3.43Å; M194-L197 PolarHBondContact O-N 2.91Å; M194-L197 VanDerWaalsContact O-N 3.14Å; L197-Q199 PolarHBondContact O-N 2.81Å; L197-A200 WeakPolarHBondContact O-CB 3.33Å; L197-A200 PolarHBondContact O-N 2.89Å; L197-E201 WeakPolarHBondContact O-CB 3.38Å; L197-E201 WeakPolarHBondContact O-CG 3.47Å; L197-E201 PolarHBondContact O-N 3.38Å; L197-V266 HydrophobicContact CD2-CB 4.46Å; L197-V266 HydrophobicContact CD2-CG1 4.24Å; L197-V266 HydrophobicContact CD2-CG2 4.24Å; L197-R269 HydrophobicContact CD1-CB 4.48Å; L197-R269 HydrophobicContact CD2-CB 3.76Å; L197-L270 HydrophobicContact CD1-CD2 3.96Å; L197-L270 HydrophobicContact CD1-CG 4.27Å; L197-L273 HydrophobicContact CD1-CD1 3.71Å |
| 198 | E | 86.7 | Confident | 82.1 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.1 | -39.1 | 172.4 | -71 | -174.4 | 162 | 0 | 0 | 111.7 | M194 S202 | M194-E198 PolarHBondContact O-N 3.25Å; E198-S202 WeakPolarHBondContact O-CB 3.34Å; E198-S202 PolarHBondContact O-N 2.99Å |
| 199 | Q | 84.2 | Confident | 80.7 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -34.1 | 176 | -163.4 | -174.5 | 102.7 | 0 | 0 | 112 | A195 W196 L197 K203 | A195-Q199 WeakPolarHBondContact O-CB 3.36Å; A195-Q199 PolarHBondContact O-N 2.71Å; W196-Q199 CarbonylContact O-C 3.6Å; W196-Q199 WeakPolarHBondContact O-CA 3.39Å; W196-Q199 WeakPolarHBondContact O-CB 3.4Å; W196-Q199 PolarHBondContact O-N 3.39Å; W196-Q199 VanDerWaalsContact O-N 3.16Å; L197-Q199 PolarHBondContact O-N 2.81Å; Q199-K203 HydrophobicContact CG-CD 4.44Å; Q199-K203 VanDerWaalsContact O-CB 3.29Å; Q199-K203 WeakPolarHBondContact O-CB 3.49Å; Q199-K203 WeakPolarHBondContact O-CD 3.41Å; Q199-K203 WeakPolarHBondContact O-CG 3.46Å; Q199-K203 PolarHBondContact O-N 3.34Å |
| 200 | A | 82.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W196 L197 S202 K203 L204 | W196-A200 HydrophobicContact CE3-CB 4.47Å; W196-A200 HydrophobicContact CH2-CB 3.98Å; W196-A200 HydrophobicContact CZ2-CB 4.14Å; W196-A200 HydrophobicContact CZ3-CB 4.14Å; W196-A200 PolarHBondContact O-N 3.37Å; L197-A200 WeakPolarHBondContact O-CB 3.33Å; L197-A200 PolarHBondContact O-N 2.89Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.23Å; A200-K203 PolarHBondContact O-N 3.45Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.45Å |
| 201 | E | 84.8 | Confident | 76.8 | Confident | 52 Ų | 52 | 71 Ų | 71 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.9 | -72.5 | 173.8 | 169.3 | 0 | 0 | 111.6 | L197 L204 S205 R269 L273 | L197-E201 WeakPolarHBondContact O-CB 3.38Å; L197-E201 WeakPolarHBondContact O-CG 3.47Å; L197-E201 PolarHBondContact O-N 3.38Å; E201-L204 PolarHBondContact O-N 3.47Å; E201-S205 VanDerWaalsContact O-CB 3.32Å; E201-S205 WeakPolarHBondContact O-CB 3.5Å; E201-S205 PolarHBondContact O-N 3.17Å; E201-S205 PolarHBondContact O-OG 3.36Å; E201-R269 IonicContact OE1-CZ 2.67Å; E201-R269 IonicContact OE1-NE 2.66Å; E201-R269 PolarHBondContact OE1-NE 2.78Å; E201-R269 IonicContact OE1-NH2 3.55Å; E201-R269 PolarHBondContact OE1-NH2 3.26Å; E201-R269 IonicContact OE2-CZ 3.1Å; E201-R269 IonicContact OE2-NE 2.71Å; E201-R269 IonicContact OE2-NH2 2.83Å; E201-R269 PolarHBondContact OE2-NH2 3.01Å; E201-L273 HydrophobicContact CG-CD1 3.69Å; E201-L273 HydrophobicContact CG-CD2 4.2Å; E201-L273 HydrophobicContact CG-CG 4.49Å |
| 202 | S | 82.3 | Confident | 75.2 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | E198 A200 S205 Q206 | E198-S202 WeakPolarHBondContact O-CB 3.34Å; E198-S202 PolarHBondContact O-N 2.99Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.23Å; S202-S205 PolarHBondContact O-N 3.03Å; S202-Q206 WeakPolarHBondContact O-CB 3.25Å; S202-Q206 VanDerWaalsContact O-CG 3.26Å; S202-Q206 WeakPolarHBondContact O-CG 3.41Å; S202-Q206 PolarHBondContact O-N 3.4Å; S202-Q206 PolarHBondContact O-NE2 3.41Å; S202-Q206 PolarHBondContact OG-NE2 3.33Å |
| 203 | K | 76.8 | Confident | 73.4 | Confident | 92 Ų | 92 | 69 Ų | 69 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 172.7 | -80 | 165.7 | -174.5 | 160.5 | 0 | 111.5 | Q199 A200 Q206 A207 | Q199-K203 HydrophobicContact CG-CD 4.44Å; Q199-K203 VanDerWaalsContact O-CB 3.29Å; Q199-K203 WeakPolarHBondContact O-CB 3.49Å; Q199-K203 WeakPolarHBondContact O-CD 3.41Å; Q199-K203 WeakPolarHBondContact O-CG 3.46Å; Q199-K203 PolarHBondContact O-N 3.34Å; A200-K203 PolarHBondContact O-N 3.45Å; K203-Q206 PolarHBondContact O-N 3.1Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.31Å |
| 204 | L | 75.4 | Confident | 71.9 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 178.5 | -77.5 | 172 | 0 | 0 | 0 | 111.2 | A200 E201 Q206 A207 F208 T222 L273 L277 | A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.45Å; E201-L204 PolarHBondContact O-N 3.47Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.33Å; L204-A207 WeakPolarHBondContact O-CB 3.32Å; L204-A207 PolarHBondContact O-N 3.31Å; L204-F208 HydrophobicContact CB-CD2 4.43Å; L204-F208 HydrophobicContact CB-CE2 4.15Å; L204-F208 HydrophobicContact CD2-CE2 4.38Å; L204-F208 WeakPolarHBondContact O-CD2 3.27Å; L204-F208 PolarHBondContact O-N 3.37Å; L204-T222 HydrophobicContact CD2-CG2 4.49Å; L204-T222 HydrophobicContact CG-CG2 4.45Å; L204-L273 HydrophobicContact CD1-CD2 4.13Å; L204-L277 HydrophobicContact CD1-CD1 4.19Å; L204-L277 HydrophobicContact CD2-CD2 3.95Å |
| 205 | S | 74.8 | Confident | 70.5 | Confident | 81 Ų | 81 | 72 Ų | 72 | 57% | 0.566 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | E201 S202 S209 | E201-S205 VanDerWaalsContact O-CB 3.32Å; E201-S205 WeakPolarHBondContact O-CB 3.5Å; E201-S205 PolarHBondContact O-N 3.17Å; E201-S205 PolarHBondContact O-OG 3.36Å; S202-S205 PolarHBondContact O-N 3.03Å; S205-S209 PolarHBondContact O-N 3.31Å |
| 206 | Q | 70.7 | Confident | 69.2 | Low | 110 Ų | 110 | 75.5 Ų | 75.5 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 173.5 | -70.2 | 173.8 | 52.4 | 0 | 0 | 111.9 | S202 K203 L204 S209 L210 | S202-Q206 WeakPolarHBondContact O-CB 3.25Å; S202-Q206 VanDerWaalsContact O-CG 3.26Å; S202-Q206 WeakPolarHBondContact O-CG 3.41Å; S202-Q206 PolarHBondContact O-N 3.4Å; S202-Q206 PolarHBondContact O-NE2 3.41Å; S202-Q206 PolarHBondContact OG-NE2 3.33Å; K203-Q206 PolarHBondContact O-N 3.1Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.33Å; Q206-S209 PolarHBondContact O-N 3.47Å; Q206-S209 VanDerWaalsContact O-N 3.12Å; Q206-S209 PolarHBondContact O-OG 3.19Å; Q206-L210 WeakPolarHBondContact O-CG 3.43Å; Q206-L210 PolarHBondContact O-N 3.12Å |
| 207 | A | 62.6 | Low | 68 | Low | 6 Ų | 6 | 80.8 Ų | 80.8 | 5% | 0.05 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K203 L204 S209 L210 A215 T218 | K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 3.31Å; L204-A207 WeakPolarHBondContact O-CB 3.32Å; L204-A207 PolarHBondContact O-N 3.31Å; A207-S209 PolarHBondContact O-N 3.05Å; A207-L210 PolarHBondContact O-N 2.83Å; A207-L210 VanDerWaalsContact O-N 3.08Å; A207-A215 WeakPolarHBondContact O-CB 3.4Å; A207-T218 HydrophobicContact CB-CG2 4.06Å |
| 208 | F | 61.9 | Low | 67 | Low | 119 Ų | 119 | 82.6 Ų | 82.6 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -22.8 | 173 | -70.3 | -61 | 0 | 0 | 0 | 113.2 | L204 L277 | L204-F208 HydrophobicContact CB-CD2 4.43Å; L204-F208 HydrophobicContact CB-CE2 4.15Å; L204-F208 HydrophobicContact CD2-CE2 4.38Å; L204-F208 WeakPolarHBondContact O-CD2 3.27Å; L204-F208 PolarHBondContact O-N 3.37Å; F208-L277 HydrophobicContact CZ-CD2 4.09Å |
| 209 | S | 55.6 | Low | 66.2 | Low | 89 Ų | 89 | 77.9 Ų | 77.9 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.9 | 173.8 | 79.3 | 0 | 0 | 0 | 0 | 114.6 | S205 Q206 A207 | S205-S209 PolarHBondContact O-N 3.31Å; Q206-S209 PolarHBondContact O-N 3.47Å; Q206-S209 VanDerWaalsContact O-N 3.12Å; Q206-S209 PolarHBondContact O-OG 3.19Å; A207-S209 PolarHBondContact O-N 3.05Å |
| 210 | L | 49.3 | Very low | 65.5 | Low | 105 Ų | 105 | 74.3 Ų | 74.3 | 55% | 0.55 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -123 | 167.4 | -171.4 | -70.1 | 172.4 | 0 | 0 | 0 | 112.4 | Q206 A207 H212 | Q206-L210 WeakPolarHBondContact O-CG 3.43Å; Q206-L210 PolarHBondContact O-N 3.12Å; A207-L210 PolarHBondContact O-N 2.83Å; A207-L210 VanDerWaalsContact O-N 3.08Å; L210-H212 PolarHBondContact O-N 3.29Å |
| 211 | K | 49.7 | Very low | 65.1 | Low | 185 Ų | 185 | 77.1 Ų | 77.1 | 80% | 0.804 | 42% | 0.416 | S | S | * | . | trans | -53.3 | 126.3 | -168.5 | -70.1 | -173.1 | 176.6 | -176.5 | 0 | 112.7 | S213 I214 | K211-S213 PolarHBondContact O-N 3.06Å; K211-I214 PolarHBondContact O-N 3.17Å | ||
| 212 | H | 52 | Low | 64.8 | Low | 57 Ų | 57 | 75 Ų | 75 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -45.7 | -28.9 | -166.3 | -153.5 | -37.2 | 0 | 0 | 0 | 117 | L210 A215 K216 N357 | L210-H212 PolarHBondContact O-N 3.29Å; H212-A215 WeakPolarHBondContact O-CB 3.21Å; H212-A215 PolarHBondContact O-N 2.97Å; H212-K216 PolarHBondContact O-N 3.41Å; H212-N357 PolarHBondContact CE1-ND2 3.33Å; H212-N357 VanDerWaalsContact CE1-ND2 3.31Å |
| 213 | S | 49.1 | Very low | 64.6 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 113.3 | K211 K217 | K211-S213 PolarHBondContact O-N 3.06Å; S213-K217 PolarHBondContact O-N 3.21Å |
| 214 | I | 58.9 | Low | 64.8 | Low | 102 Ų | 102 | 76.7 Ų | 76.7 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.1 | -46.1 | 174.4 | -59.5 | 176.8 | 0 | 0 | 0 | 108.5 | K211 K216 K217 T218 | K211-I214 PolarHBondContact O-N 3.17Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.15Å; I214-K217 PolarHBondContact O-N 3.47Å; I214-K217 VanDerWaalsContact O-N 3.13Å; I214-T218 PolarHBondContact O-N 3.4Å; I214-T218 PolarHBondContact O-OG1 3.2Å |
| 215 | A | 59.6 | Low | 65.1 | Low | 12 Ų | 12 | 79.9 Ų | 79.9 | 10% | 0.099 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -51.3 | -49.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A207 H212 K217 T218 A219 | A207-A215 WeakPolarHBondContact O-CB 3.4Å; H212-A215 WeakPolarHBondContact O-CB 3.21Å; H212-A215 PolarHBondContact O-N 2.97Å; A215-K217 PolarHBondContact O-N 3.48Å; A215-T218 PolarHBondContact O-N 3.13Å; A215-A219 WeakPolarHBondContact O-CB 3.48Å; A215-A219 PolarHBondContact O-N 3.1Å |
| 216 | K | 57.5 | Low | 65.5 | Low | 122 Ų | 122 | 76.1 Ų | 76.1 | 53% | 0.53 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 178.6 | -166.5 | -178.3 | -158.9 | 155.3 | 0 | 112.7 | H212 I214 G220 N357 | H212-K216 PolarHBondContact O-N 3.41Å; I214-K216 VanDerWaalsContact C-N 3.35Å; I214-K216 PolarHBondContact O-N 3.15Å; K216-G220 PolarHBondContact O-N 3.02Å; K216-G220 VanDerWaalsContact O-N 3.08Å; K216-N357 WeakPolarHBondContact CD-OD1 3.38Å; K216-N357 WeakPolarHBondContact CE-OD1 3.26Å; K216-N357 PolarHBondContact NZ-OD1 3Å |
| 217 | K | 66 | Low | 65.9 | Low | 174 Ų | 174 | 76.8 Ų | 76.8 | 76% | 0.757 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.4 | -36.2 | -177.4 | -168.7 | 169.3 | -176.4 | 175.3 | 0 | 112.6 | S213 I214 A215 S221 | S213-K217 PolarHBondContact O-N 3.21Å; I214-K217 PolarHBondContact O-N 3.47Å; I214-K217 VanDerWaalsContact O-N 3.13Å; A215-K217 PolarHBondContact O-N 3.48Å; K217-S221 WeakPolarHBondContact O-CB 3.23Å; K217-S221 PolarHBondContact O-N 2.93Å |
| 218 | T | 67.4 | Low | 66.7 | Low | 39 Ų | 39 | 78.7 Ų | 78.7 | 24% | 0.239 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.7 | -51.5 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | A207 I214 A215 G220 S221 T222 | A207-T218 HydrophobicContact CB-CG2 4.06Å; I214-T218 PolarHBondContact O-N 3.4Å; I214-T218 PolarHBondContact O-OG1 3.2Å; A215-T218 PolarHBondContact O-N 3.13Å; T218-G220 PolarHBondContact O-N 3.31Å; T218-S221 PolarHBondContact O-N 2.72Å; T218-T222 HydrophobicContact CG2-CG2 4.3Å; T218-T222 PolarHBondContact O-N 3.43Å; T218-T222 PolarHBondContact O-OG1 2.95Å |
| 219 | A | 68.4 | Low | 67.8 | Low | 22 Ų | 22 | 74 Ų | 74 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -54.3 | -47.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A215 T222 L223 L277 | A215-A219 WeakPolarHBondContact O-CB 3.48Å; A215-A219 PolarHBondContact O-N 3.1Å; A219-T222 WeakPolarHBondContact CA-OG1 3.5Å; A219-T222 PolarHBondContact O-N 3.05Å; A219-T222 PolarHBondContact O-OG1 3.22Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.36Å; A219-L277 HydrophobicContact CB-CD2 3.91Å |
| 220 | G | 70.2 | Confident | 69 | Low | 36 Ų | 36 | 70.8 Ų | 70.8 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | K216 T218 T222 L223 E224 | K216-G220 PolarHBondContact O-N 3.02Å; K216-G220 VanDerWaalsContact O-N 3.08Å; T218-G220 PolarHBondContact O-N 3.31Å; G220-T222 PolarHBondContact O-N 3.46Å; G220-L223 WeakPolarHBondContact O-CB 3.48Å; G220-L223 PolarHBondContact O-N 3.07Å; G220-L223 VanDerWaalsContact O-N 3.12Å; G220-E224 PolarHBondContact O-N 3.35Å |
| 221 | S | 75.3 | Confident | 70.6 | Confident | 60 Ų | 60 | 72 Ų | 72 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.7 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | K217 T218 L223 E224 D225 | K217-S221 WeakPolarHBondContact O-CB 3.23Å; K217-S221 PolarHBondContact O-N 2.93Å; T218-S221 PolarHBondContact O-N 2.72Å; S221-L223 VanDerWaalsContact C-N 3.25Å; S221-L223 PolarHBondContact O-N 3.43Å; S221-E224 PolarHBondContact O-N 3.19Å; S221-D225 VanDerWaalsContact O-CG 3.25Å; S221-D225 PolarHBondContact O-N 3.19Å |
| 222 | T | 77.5 | Confident | 72.3 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.3 | -25.9 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | L204 T218 A219 G220 D225 I226 | L204-T222 HydrophobicContact CD2-CG2 4.49Å; L204-T222 HydrophobicContact CG-CG2 4.45Å; T218-T222 HydrophobicContact CG2-CG2 4.3Å; T218-T222 PolarHBondContact O-N 3.43Å; T218-T222 PolarHBondContact O-OG1 2.95Å; A219-T222 WeakPolarHBondContact CA-OG1 3.5Å; A219-T222 PolarHBondContact O-N 3.05Å; A219-T222 PolarHBondContact O-OG1 3.22Å; G220-T222 PolarHBondContact O-N 3.46Å; T222-D225 PolarHBondContact O-N 3.28Å; T222-I226 VanDerWaalsContact O-CB 3.26Å; T222-I226 WeakPolarHBondContact O-CB 3.19Å; T222-I226 WeakPolarHBondContact O-CD1 3.39Å; T222-I226 WeakPolarHBondContact O-CG1 3.45Å; T222-I226 PolarHBondContact O-N 3.35Å |
| 223 | L | 79.1 | Confident | 74 | Confident | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.7 | -38.2 | 176.1 | -172.5 | 64.1 | 0 | 0 | 0 | 111.5 | A219 G220 S221 K227 E274 L277 | A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 3.36Å; G220-L223 WeakPolarHBondContact O-CB 3.48Å; G220-L223 PolarHBondContact O-N 3.07Å; G220-L223 VanDerWaalsContact O-N 3.12Å; S221-L223 VanDerWaalsContact C-N 3.25Å; S221-L223 PolarHBondContact O-N 3.43Å; L223-K227 WeakPolarHBondContact O-CG 3.44Å; L223-K227 PolarHBondContact O-N 3.04Å; L223-K227 VanDerWaalsContact O-N 3.16Å; L223-E274 HydrophobicContact CD1-CB 4.4Å; L223-E274 HydrophobicContact CD1-CG 3.89Å; L223-L277 HydrophobicContact CD1-CB 4.37Å; L223-L277 HydrophobicContact CD1-CD1 4.46Å |
| 224 | E | 79 | Confident | 75.6 | Confident | 153 Ų | 153 | 63.2 Ų | 63.2 | 72% | 0.715 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 169.2 | -69 | -174.4 | 112.6 | 0 | 0 | 111.4 | G220 S221 I226 K227 G228 | G220-E224 PolarHBondContact O-N 3.35Å; S221-E224 PolarHBondContact O-N 3.19Å; E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 3.41Å; E224-K227 PolarHBondContact O-N 2.68Å; E224-G228 PolarHBondContact O-N 3.36Å |
| 225 | D | 82.9 | Confident | 76.9 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 178 | -61.4 | -38.7 | 0 | 0 | 0 | 112.2 | W196 S221 T222 G228 T229 | W196-D225 HydrophobicContact CH2-CB 4.15Å; W196-D225 HydrophobicContact CZ2-CB 3.59Å; S221-D225 VanDerWaalsContact O-CG 3.25Å; S221-D225 PolarHBondContact O-N 3.19Å; T222-D225 PolarHBondContact O-N 3.28Å; D225-G228 PolarHBondContact O-N 3.33Å; D225-T229 WeakPolarHBondContact O-CB 3.5Å; D225-T229 WeakPolarHBondContact O-CG2 3.25Å; D225-T229 PolarHBondContact O-N 2.86Å; D225-T229 PolarHBondContact O-OG1 3.01Å |
| 226 | I | 83.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.1 | -75.9 | 163 | 0 | 0 | 0 | 110.6 | W196 T222 E224 G228 T229 S230 L270 L273 E274 L277 | W196-I226 HydrophobicContact CH2-CG1 4.11Å; T222-I226 VanDerWaalsContact O-CB 3.26Å; T222-I226 WeakPolarHBondContact O-CB 3.19Å; T222-I226 WeakPolarHBondContact O-CD1 3.39Å; T222-I226 WeakPolarHBondContact O-CG1 3.45Å; T222-I226 PolarHBondContact O-N 3.35Å; E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 3.41Å; I226-G228 VanDerWaalsContact C-N 3.3Å; I226-G228 PolarHBondContact O-N 2.71Å; I226-T229 WeakPolarHBondContact CA-OG1 3.25Å; I226-T229 PolarHBondContact O-N 3.19Å; I226-T229 PolarHBondContact O-OG1 2.94Å; I226-S230 WeakPolarHBondContact O-CB 3.34Å; I226-S230 PolarHBondContact O-N 2.98Å; I226-L270 HydrophobicContact CB-CD2 4.45Å; I226-L270 HydrophobicContact CG1-CD2 4.09Å; I226-L270 HydrophobicContact CG2-CB 4.43Å; I226-L270 HydrophobicContact CG2-CD2 4.15Å; I226-L273 HydrophobicContact CD1-CB 3.84Å; I226-E274 HydrophobicContact CG2-CB 4.05Å; I226-L277 HydrophobicContact CD1-CD1 3.92Å |
| 227 | K | 78.1 | Confident | 79.7 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 175.7 | -72.6 | 178.8 | 177.5 | -175.2 | 0 | 112.3 | L223 E224 E274 | L223-K227 WeakPolarHBondContact O-CG 3.44Å; L223-K227 PolarHBondContact O-N 3.04Å; L223-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 PolarHBondContact O-N 2.68Å; K227-E274 WeakPolarHBondContact CE-OE1 3.33Å; K227-E274 IonicContact NZ-OE1 3.11Å |
| 228 | G | 80.5 | Confident | 80.6 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E224 D225 I226 K231 E232 | E224-G228 PolarHBondContact O-N 3.36Å; D225-G228 PolarHBondContact O-N 3.33Å; I226-G228 VanDerWaalsContact C-N 3.3Å; I226-G228 PolarHBondContact O-N 2.71Å; G228-K231 PolarHBondContact O-N 2.9Å; G228-E232 PolarHBondContact O-N 3.17Å |
| 229 | T | 84.2 | Confident | 81.5 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.4 | -29.2 | -178 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | L193 W196 D225 I226 K231 E232 V233 | L193-T229 HydrophobicContact CD1-CG2 4.11Å; W196-T229 HydrophobicContact CD2-CG2 4.29Å; W196-T229 HydrophobicContact CE3-CG2 4.1Å; W196-T229 HydrophobicContact CH2-CG2 4.2Å; W196-T229 HydrophobicContact CZ2-CG2 4.38Å; W196-T229 HydrophobicContact CZ3-CG2 4.06Å; D225-T229 WeakPolarHBondContact O-CB 3.5Å; D225-T229 WeakPolarHBondContact O-CG2 3.25Å; D225-T229 PolarHBondContact O-N 2.86Å; D225-T229 PolarHBondContact O-OG1 3.01Å; I226-T229 WeakPolarHBondContact CA-OG1 3.25Å; I226-T229 PolarHBondContact O-N 3.19Å; I226-T229 PolarHBondContact O-OG1 2.94Å; T229-K231 PolarHBondContact O-N 3.15Å; T229-E232 PolarHBondContact O-N 2.89Å; T229-V233 PolarHBondContact O-N 2.9Å |
| 230 | S | 82.1 | Confident | 82.4 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 170.2 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | I226 E232 V233 D234 | I226-S230 WeakPolarHBondContact O-CB 3.34Å; I226-S230 PolarHBondContact O-N 2.98Å; S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.01Å; S230-V233 WeakPolarHBondContact O-CB 3.27Å; S230-V233 PolarHBondContact O-N 3.38Å; S230-D234 PolarHBondContact O-N 3.33Å; S230-D234 VanDerWaalsContact O-N 3.1Å |
| 231 | K | 82.5 | Confident | 83 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.1 | -32.9 | 174.9 | -175.9 | 175.8 | 177 | -176.8 | 0 | 112.9 | G228 T229 V233 D234 D235 | G228-K231 PolarHBondContact O-N 2.9Å; T229-K231 PolarHBondContact O-N 3.15Å; K231-V233 VanDerWaalsContact C-N 3.3Å; K231-V233 PolarHBondContact O-N 3.46Å; K231-D234 PolarHBondContact O-N 3.33Å; K231-D235 PolarHBondContact O-N 3.39Å |
| 232 | E | 84.2 | Confident | 83.4 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.9 | -33.9 | 173.2 | 175 | 149.4 | -144.7 | 0 | 0 | 111.7 | R189 G228 T229 S230 M236 | R189-E232 IonicContact CZ-OE1 2.66Å; R189-E232 IonicContact NE-OE1 3.36Å; R189-E232 PolarHBondContact NE-OE1 3.01Å; R189-E232 VanDerWaalsContact NE-OE1 3.13Å; R189-E232 IonicContact NH2-OE1 2.68Å; R189-E232 PolarHBondContact NH2-OE1 3.31Å; G228-E232 PolarHBondContact O-N 3.17Å; T229-E232 PolarHBondContact O-N 2.89Å; S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.01Å; E232-M236 HydrophobicContact CG-SD 4.16Å; E232-M236 WeakPolarHBondContact O-CB 3.44Å; E232-M236 VanDerWaalsContact O-CG 3.23Å; E232-M236 WeakPolarHBondContact O-CG 3.45Å; E232-M236 PolarHBondContact O-N 3.12Å |
| 233 | V | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -46 | 170.4 | 177.8 | 0 | 0 | 0 | 0 | 111 | L193 T229 S230 K231 M236 M237 L263 V266 L270 | L193-V233 HydrophobicContact CD2-CG2 3.61Å; T229-V233 PolarHBondContact O-N 2.9Å; S230-V233 WeakPolarHBondContact O-CB 3.27Å; S230-V233 PolarHBondContact O-N 3.38Å; K231-V233 VanDerWaalsContact C-N 3.3Å; K231-V233 PolarHBondContact O-N 3.46Å; V233-M236 CarbonylContact O-C 3.48Å; V233-M236 WeakPolarHBondContact O-CA 3.5Å; V233-M236 WeakPolarHBondContact O-CB 3.31Å; V233-M236 PolarHBondContact O-N 2.93Å; V233-M236 VanDerWaalsContact O-N 3.1Å; V233-M237 HydrophobicContact CG1-CE 4.13Å; V233-M237 HydrophobicContact CG1-CG 4.41Å; V233-M237 HydrophobicContact CG1-SD 4.35Å; V233-M237 WeakPolarHBondContact O-CG 3.28Å; V233-M237 PolarHBondContact O-N 2.66Å; V233-L263 HydrophobicContact CG1-CD2 4.11Å; V233-V266 HydrophobicContact CG2-CG1 4.01Å; V233-L270 HydrophobicContact CG2-CD1 3.79Å |
| 234 | D | 83.9 | Confident | 83.8 | Confident | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 177.4 | -61.2 | -37.1 | 0 | 0 | 0 | 111.8 | S230 K231 M236 M237 E238 | S230-D234 PolarHBondContact O-N 3.33Å; S230-D234 VanDerWaalsContact O-N 3.1Å; K231-D234 PolarHBondContact O-N 3.33Å; D234-M236 PolarHBondContact O-N 3.18Å; D234-M236 VanDerWaalsContact O-N 3.16Å; D234-M237 PolarHBondContact O-N 2.92Å; D234-M237 VanDerWaalsContact O-N 3.13Å; D234-M237 VanDerWaalsContact OD1-CE 3.26Å; D234-M237 WeakPolarHBondContact OD1-CE 3.47Å; D234-E238 PolarHBondContact O-N 2.85Å |
| 235 | D | 86.4 | Confident | 83.8 | Confident | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.1 | -25.9 | 174.9 | -78.4 | 0 | 0 | 0 | 0 | 112.2 | K231 Q239 | K231-D235 PolarHBondContact O-N 3.39Å; D235-Q239 VanDerWaalsContact O-CG 3.23Å; D235-Q239 WeakPolarHBondContact O-CG 3.32Å; D235-Q239 PolarHBondContact O-N 3.3Å; D235-Q239 PolarHBondContact O-NE2 3.08Å |
| 236 | M | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -82.9 | -38.2 | 174.9 | -78.1 | 177.7 | 68.7 | 0 | 0 | 113.1 | L186 R189 L190 L193 E232 V233 D234 Q239 L240 L263 | L186-M236 HydrophobicContact CD1-CB 3.93Å; L186-M236 HydrophobicContact CD1-CE 3.73Å; L186-M236 HydrophobicContact CD1-CG 3.81Å; L186-M236 HydrophobicContact CG-CE 4.33Å; L186-M236 WeakPolarHBondContact O-CE 3.48Å; R189-M236 HydrophobicContact CB-CE 3.75Å; R189-M236 HydrophobicContact CB-SD 3.88Å; R189-M236 VanDerWaalsContact CZ-CG 3.43Å; R189-M236 VanDerWaalsContact NH1-CG 3.34Å; L190-M236 HydrophobicContact CB-CE 3.77Å; L193-M236 HydrophobicContact CD2-SD 4.43Å; E232-M236 HydrophobicContact CG-SD 4.16Å; E232-M236 WeakPolarHBondContact O-CB 3.44Å; E232-M236 VanDerWaalsContact O-CG 3.23Å; E232-M236 WeakPolarHBondContact O-CG 3.45Å; E232-M236 PolarHBondContact O-N 3.12Å; V233-M236 CarbonylContact O-C 3.48Å; V233-M236 WeakPolarHBondContact O-CA 3.5Å; V233-M236 WeakPolarHBondContact O-CB 3.31Å; V233-M236 PolarHBondContact O-N 2.93Å; V233-M236 VanDerWaalsContact O-N 3.1Å; D234-M236 PolarHBondContact O-N 3.18Å; D234-M236 VanDerWaalsContact O-N 3.16Å; M236-Q239 PolarHBondContact O-N 3.02Å; M236-L240 PolarHBondContact O-N 3.31Å; M236-L263 HydrophobicContact CB-CD1 4.1Å; M236-L263 HydrophobicContact CB-CD2 3.89Å; M236-L263 HydrophobicContact CE-CD2 3.83Å; M236-L263 HydrophobicContact SD-CD2 4.22Å |
| 237 | M | 85.7 | Confident | 83.6 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 174.2 | -69.6 | -172.1 | -62 | 0 | 0 | 111.4 | V233 D234 Q239 L240 Q241 L263 | V233-M237 HydrophobicContact CG1-CE 4.13Å; V233-M237 HydrophobicContact CG1-CG 4.41Å; V233-M237 HydrophobicContact CG1-SD 4.35Å; V233-M237 WeakPolarHBondContact O-CG 3.28Å; V233-M237 PolarHBondContact O-N 2.66Å; D234-M237 PolarHBondContact O-N 2.92Å; D234-M237 VanDerWaalsContact O-N 3.13Å; D234-M237 VanDerWaalsContact OD1-CE 3.26Å; D234-M237 WeakPolarHBondContact OD1-CE 3.47Å; M237-Q239 VanDerWaalsContact C-N 3.32Å; M237-Q239 PolarHBondContact O-N 3.36Å; M237-L240 PolarHBondContact O-N 3.39Å; M237-Q241 WeakPolarHBondContact O-CG 3.4Å; M237-Q241 PolarHBondContact O-N 3.33Å; M237-Q241 VanDerWaalsContact O-N 3.07Å; M237-L263 HydrophobicContact CG-CB 4.42Å; M237-L263 HydrophobicContact CG-CD1 4.17Å |
| 238 | E | 85.7 | Confident | 83.4 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 67% | 0.673 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 171.9 | -75.6 | -161 | 174.3 | 0 | 0 | 111.9 | D234 S242 | D234-E238 PolarHBondContact O-N 2.85Å; E238-S242 WeakPolarHBondContact O-CB 3.2Å; E238-S242 PolarHBondContact O-N 3.11Å |
| 239 | Q | 85.9 | Confident | 83 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 177 | -76.7 | 170.9 | 47.5 | 0 | 0 | 111.8 | L186 R189 D235 M236 M237 S242 M243 | L186-Q239 HydrophobicContact CD1-CB 4.29Å; R189-Q239 VanDerWaalsContact NH1-NE2 3.13Å; D235-Q239 VanDerWaalsContact O-CG 3.23Å; D235-Q239 WeakPolarHBondContact O-CG 3.32Å; D235-Q239 PolarHBondContact O-N 3.3Å; D235-Q239 PolarHBondContact O-NE2 3.08Å; M236-Q239 PolarHBondContact O-N 3.02Å; M237-Q239 VanDerWaalsContact C-N 3.32Å; M237-Q239 PolarHBondContact O-N 3.36Å; Q239-S242 CarbonylContact O-C 3.59Å; Q239-S242 WeakPolarHBondContact O-CB 3.26Å; Q239-S242 PolarHBondContact O-N 3.19Å; Q239-M243 WeakPolarHBondContact O-CG 3.5Å; Q239-M243 PolarHBondContact O-N 3.39Å |
| 240 | L | 87 | Confident | 82.6 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 177.4 | -171.2 | 65.1 | 0 | 0 | 0 | 112.1 | L186 M236 M237 S242 M243 E244 I256 L259 L263 | L186-L240 HydrophobicContact CD2-CB 3.99Å; L186-L240 HydrophobicContact CD2-CD1 3.73Å; L186-L240 HydrophobicContact CD2-CG 4.45Å; M236-L240 PolarHBondContact O-N 3.31Å; M237-L240 PolarHBondContact O-N 3.39Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 3.43Å; L240-M243 WeakPolarHBondContact O-CB 3.36Å; L240-M243 PolarHBondContact O-N 3.27Å; L240-E244 PolarHBondContact O-N 3.37Å; L240-I256 HydrophobicContact CD1-CG2 4.31Å; L240-I256 HydrophobicContact CD2-CG2 4.41Å; L240-I256 HydrophobicContact CG-CG2 4.15Å; L240-L259 HydrophobicContact CD1-CB 3.87Å; L240-L259 HydrophobicContact CD1-CD1 4.05Å; L240-L259 HydrophobicContact CD2-CB 4.18Å; L240-L263 HydrophobicContact CD2-CD1 4.35Å |
| 241 | Q | 83.5 | Confident | 82.2 | Confident | 129 Ų | 129 | 62.1 Ų | 62.1 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -35.5 | 174.8 | -66.8 | 176.8 | 8.3 | 0 | 0 | 112.2 | M237 M243 T245 | M237-Q241 WeakPolarHBondContact O-CG 3.4Å; M237-Q241 PolarHBondContact O-N 3.33Å; M237-Q241 VanDerWaalsContact O-N 3.07Å; Q241-M243 VanDerWaalsContact C-N 3.29Å; Q241-M243 PolarHBondContact O-N 3.39Å; Q241-T245 PolarHBondContact O-N 3.44Å; Q241-T245 PolarHBondContact O-OG1 3.42Å |
| 242 | S | 84.1 | Confident | 81.8 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 172.6 | -130.1 | 0 | 0 | 0 | 0 | 112.6 | E238 Q239 L240 T245 K246 | E238-S242 WeakPolarHBondContact O-CB 3.2Å; E238-S242 PolarHBondContact O-N 3.11Å; Q239-S242 CarbonylContact O-C 3.59Å; Q239-S242 WeakPolarHBondContact O-CB 3.26Å; Q239-S242 PolarHBondContact O-N 3.19Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 3.43Å; S242-T245 PolarHBondContact O-OG1 3.2Å; S242-K246 VanDerWaalsContact O-CB 3.31Å; S242-K246 WeakPolarHBondContact O-CB 3.45Å; S242-K246 VanDerWaalsContact O-CD 3.22Å; S242-K246 WeakPolarHBondContact O-CD 3.18Å; S242-K246 WeakPolarHBondContact O-CG 3.36Å; S242-K246 PolarHBondContact O-N 2.98Å; S242-K246 PolarHBondContact OG-NZ 3.25Å |
| 243 | M | 83.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.2 | -43.4 | 176.4 | -75.4 | -176 | 60.8 | 0 | 0 | 112.2 | Q182 W183 L186 Q239 L240 Q241 T245 K246 H247 I251 | Q182-M243 HydrophobicContact CB-CE 3.75Å; Q182-M243 HydrophobicContact CB-CG 4.38Å; Q182-M243 HydrophobicContact CB-SD 3.69Å; W183-M243 HydrophobicContact CB-CE 3.8Å; L186-M243 HydrophobicContact CD2-SD 4.21Å; Q239-M243 WeakPolarHBondContact O-CG 3.5Å; Q239-M243 PolarHBondContact O-N 3.39Å; L240-M243 WeakPolarHBondContact O-CB 3.36Å; L240-M243 PolarHBondContact O-N 3.27Å; Q241-M243 VanDerWaalsContact C-N 3.29Å; Q241-M243 PolarHBondContact O-N 3.39Å; M243-T245 VanDerWaalsContact C-N 3.35Å; M243-T245 PolarHBondContact O-N 3.23Å; M243-K246 PolarHBondContact O-N 3.25Å; M243-H247 WeakPolarHBondContact O-CA 3.4Å; M243-H247 WeakPolarHBondContact O-CB 3.42Å; M243-H247 PolarHBondContact O-N 3.41Å; M243-I251 HydrophobicContact CB-CD1 4.41Å; M243-I251 HydrophobicContact CE-CD1 3.46Å; M243-I251 VanDerWaalsContact CE-CD1 3.46Å |
| 244 | E | 81.1 | Confident | 80.7 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -51.3 | -55.1 | 174 | -179.6 | 163.6 | -128.1 | 0 | 0 | 110.6 | L240 K246 A248 H253 I256 | L240-E244 PolarHBondContact O-N 3.37Å; E244-K246 PolarHBondContact O-N 3.3Å; E244-A248 VanDerWaalsContact O-CB 3.3Å; E244-A248 WeakPolarHBondContact O-CB 2.82Å; E244-A248 PolarHBondContact O-N 2.94Å; E244-H253 IonicContact OE1-CE1 2.79Å; E244-H253 IonicContact OE1-ND1 3.7Å; E244-H253 PolarHBondContact OE1-ND1 2.94Å; E244-I256 HydrophobicContact CB-CD1 3.69Å; E244-I256 HydrophobicContact CB-CG1 4.48Å; E244-I256 HydrophobicContact CG-CD1 3.76Å |
| 245 | T | 80 | Confident | 80.5 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.2 | -31.4 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | Q241 S242 M243 | Q241-T245 PolarHBondContact O-N 3.44Å; Q241-T245 PolarHBondContact O-OG1 3.42Å; S242-T245 PolarHBondContact O-OG1 3.2Å; M243-T245 VanDerWaalsContact C-N 3.35Å; M243-T245 PolarHBondContact O-N 3.23Å |
| 246 | K | 81.2 | Confident | 80.3 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -89.5 | -28.4 | -178.8 | -69.8 | 168.7 | -171.2 | 151 | 0 | 114.1 | S242 M243 E244 | S242-K246 VanDerWaalsContact O-CB 3.31Å; S242-K246 WeakPolarHBondContact O-CB 3.45Å; S242-K246 VanDerWaalsContact O-CD 3.22Å; S242-K246 WeakPolarHBondContact O-CD 3.18Å; S242-K246 WeakPolarHBondContact O-CG 3.36Å; S242-K246 PolarHBondContact O-N 2.98Å; S242-K246 PolarHBondContact OG-NZ 3.25Å; M243-K246 PolarHBondContact O-N 3.25Å; E244-K246 PolarHBondContact O-N 3.3Å |
| 247 | H | 81 | Confident | 80.1 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -126.7 | 13.1 | -166.6 | -62.4 | -81.3 | 0 | 0 | 0 | 114.5 | A179 Q182 M243 A249 F250 I251 | A179-H247 HydrophobicContact CB-CB 4.01Å; A179-H247 WeakPolarHBondContact CB-ND1 3.49Å; Q182-H247 PolarHBondContact NE2-NE2 2.87Å; M243-H247 WeakPolarHBondContact O-CA 3.4Å; M243-H247 WeakPolarHBondContact O-CB 3.42Å; M243-H247 PolarHBondContact O-N 3.41Å; H247-A249 PolarHBondContact O-N 3.41Å; H247-F250 PolarHBondContact O-N 3.02Å; H247-I251 HydrophobicContact CB-CD1 3.62Å; H247-I251 HydrophobicContact CB-CG1 3.89Å; H247-I251 PolarHBondContact O-N 3.25Å |
| 248 | A | 74.3 | Confident | 80 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -10.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | E244 | E244-A248 VanDerWaalsContact O-CB 3.3Å; E244-A248 WeakPolarHBondContact O-CB 2.82Å; E244-A248 PolarHBondContact O-N 2.94Å |
| 249 | A | 70.3 | Confident | 79.9 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H247 | H247-A249 PolarHBondContact O-N 3.41Š|
| 250 | F | 75.5 | Confident | 79.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | -21.5 | -172.9 | -56.6 | -73.9 | 0 | 0 | 0 | 114.6 | H110 R172 K175 F176 A179 H247 | H110-F250 PolarHBondContact CD2-O 2.95Å; R172-F250 HydrophobicContact CG-CE1 4.22Å; R172-F250 HydrophobicContact CG-CZ 4.46Å; K175-F250 HydrophobicContact CB-CE1 4.29Å; K175-F250 HydrophobicContact CB-CE2 3.57Å; K175-F250 HydrophobicContact CB-CZ 3.39Å; K175-F250 HydrophobicContact CD-CE2 4.16Å; K175-F250 HydrophobicContact CD-CZ 4.03Å; K175-F250 HydrophobicContact CG-CZ 4.39Å; F176-F250 HydrophobicContact CB-CD1 3.79Å; F176-F250 HydrophobicContact CB-CE1 4.03Å; F176-F250 HydrophobicContact CB-CG 4.45Å; F176-F250 HydrophobicContact CD2-CB 4.29Å; F176-F250 HydrophobicContact CD2-CD1 4.21Å; F176-F250 HydrophobicContact CG-CD1 4.49Å; A179-F250 HydrophobicContact CB-CB 4.29Å; H247-F250 PolarHBondContact O-N 3.02Å |
| 251 | I | 75.1 | Confident | 79.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -115.1 | 128 | -178.3 | -47.1 | -173.8 | 0 | 0 | 0 | 106.7 | L107 A179 M243 H247 D255 I256 | L107-I251 HydrophobicContact CD1-CG1 4Å; A179-I251 HydrophobicContact CB-CD1 4.3Å; A179-I251 HydrophobicContact CB-CG1 4.33Å; M243-I251 HydrophobicContact CB-CD1 4.41Å; M243-I251 HydrophobicContact CE-CD1 3.46Å; M243-I251 VanDerWaalsContact CE-CD1 3.46Å; H247-I251 HydrophobicContact CB-CD1 3.62Å; H247-I251 HydrophobicContact CB-CG1 3.89Å; H247-I251 PolarHBondContact O-N 3.25Å; I251-D255 HydrophobicContact CG2-CB 3.71Å; I251-I256 HydrophobicContact CB-CD1 4.42Å; I251-I256 HydrophobicContact CG2-CD1 3.95Å; I251-I256 HydrophobicContact CG2-CG1 3.78Å |
| 252 | S | 72.8 | Confident | 80.1 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | trans | -75.5 | 155.1 | 174.6 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | T105 A254 D255 I256 | T105-S252 WeakPolarHBondContact O-CB 3.38Å; S252-A254 PolarHBondContact O-N 3.16Å; S252-A254 PolarHBondContact OG-N 3.29Å; S252-D255 WeakPolarHBondContact CB-OD2 3.41Å; S252-D255 PolarHBondContact N-OD2 3.05Å; S252-D255 PolarHBondContact O-N 3.04Å; S252-D255 VanDerWaalsContact O-N 3.13Å; S252-D255 PolarHBondContact OG-N 3.48Å; S252-D255 PolarHBondContact OG-OD2 3.37Å; S252-I256 WeakPolarHBondContact O-CD1 3.21Å; S252-I256 PolarHBondContact O-N 3.42Å | ||
| 253 | H | 75.1 | Confident | 80.3 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.1 | -27.7 | 170.4 | -172.2 | 70.9 | 0 | 0 | 0 | 111.1 | E244 I256 V257 | E244-H253 IonicContact OE1-CE1 2.79Å; E244-H253 IonicContact OE1-ND1 3.7Å; E244-H253 PolarHBondContact OE1-ND1 2.94Å; H253-I256 PolarHBondContact O-N 3.17Å; H253-V257 WeakPolarHBondContact O-CB 3.5Å; H253-V257 VanDerWaalsContact O-CG2 3.31Å; H253-V257 WeakPolarHBondContact O-CG2 3.45Å; H253-V257 PolarHBondContact O-N 3.18Å |
| 254 | A | 75.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S252 I256 V257 M258 | S252-A254 PolarHBondContact O-N 3.16Å; S252-A254 PolarHBondContact OG-N 3.29Å; A254-I256 PolarHBondContact O-N 3.12Å; A254-V257 PolarHBondContact O-N 3.25Å; A254-M258 WeakPolarHBondContact O-CB 3.5Å; A254-M258 VanDerWaalsContact O-CG 3.23Å; A254-M258 WeakPolarHBondContact O-CG 3.47Å; A254-M258 PolarHBondContact O-N 3.12Å |
| 255 | D | 79.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -26.8 | 174.6 | -59.2 | -66.7 | 0 | 0 | 0 | 112.1 | S106 L107 I251 S252 | S106-D255 WeakPolarHBondContact CA-OD2 3.35Å; L107-D255 PolarHBondContact N-OD1 2.82Å; L107-D255 PolarHBondContact N-OD2 3.41Å; I251-D255 HydrophobicContact CG2-CB 3.71Å; S252-D255 WeakPolarHBondContact CB-OD2 3.41Å; S252-D255 PolarHBondContact N-OD2 3.05Å; S252-D255 PolarHBondContact O-N 3.04Å; S252-D255 VanDerWaalsContact O-N 3.13Å; S252-D255 PolarHBondContact OG-N 3.48Å; S252-D255 PolarHBondContact OG-OD2 3.37Å |
| 256 | I | 83.2 | Confident | 81.2 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -81.4 | -49.1 | 178.4 | -70.1 | 154.9 | 0 | 0 | 0 | 110.6 | L240 E244 I251 S252 H253 A254 M258 L259 S260 | L240-I256 HydrophobicContact CD1-CG2 4.31Å; L240-I256 HydrophobicContact CD2-CG2 4.41Å; L240-I256 HydrophobicContact CG-CG2 4.15Å; E244-I256 HydrophobicContact CB-CD1 3.69Å; E244-I256 HydrophobicContact CB-CG1 4.48Å; E244-I256 HydrophobicContact CG-CD1 3.76Å; I251-I256 HydrophobicContact CB-CD1 4.42Å; I251-I256 HydrophobicContact CG2-CD1 3.95Å; I251-I256 HydrophobicContact CG2-CG1 3.78Å; S252-I256 WeakPolarHBondContact O-CD1 3.21Å; S252-I256 PolarHBondContact O-N 3.42Å; H253-I256 PolarHBondContact O-N 3.17Å; A254-I256 PolarHBondContact O-N 3.12Å; I256-M258 VanDerWaalsContact C-N 3.3Å; I256-M258 PolarHBondContact O-N 3.47Å; I256-L259 PolarHBondContact O-N 3.23Å; I256-S260 WeakPolarHBondContact O-CB 3.49Å; I256-S260 PolarHBondContact O-N 2.95Å |
| 257 | V | 83.1 | Confident | 81.5 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | H253 A254 L259 S260 D261 | H253-V257 WeakPolarHBondContact O-CB 3.5Å; H253-V257 VanDerWaalsContact O-CG2 3.31Å; H253-V257 WeakPolarHBondContact O-CG2 3.45Å; H253-V257 PolarHBondContact O-N 3.18Å; A254-V257 PolarHBondContact O-N 3.25Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 3.36Å; V257-S260 CarbonylContact O-C 3.43Å; V257-S260 WeakPolarHBondContact O-CB 3.41Å; V257-S260 PolarHBondContact O-N 3.25Å; V257-D261 WeakPolarHBondContact CG1-OD2 3.22Å; V257-D261 WeakPolarHBondContact O-CB 3.5Å; V257-D261 PolarHBondContact O-N 2.98Å |
| 258 | M | 83.1 | Confident | 81.8 | Confident | 123 Ų | 123 | 53.1 Ų | 53.1 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -51.7 | -46.5 | 173.8 | -81.1 | -70.2 | -55.2 | 0 | 0 | 113.4 | A254 I256 E262 | A254-M258 WeakPolarHBondContact O-CB 3.5Å; A254-M258 VanDerWaalsContact O-CG 3.23Å; A254-M258 WeakPolarHBondContact O-CG 3.47Å; A254-M258 PolarHBondContact O-N 3.12Å; I256-M258 VanDerWaalsContact C-N 3.3Å; I256-M258 PolarHBondContact O-N 3.47Å; M258-E262 VanDerWaalsContact O-CG 3.3Å; M258-E262 WeakPolarHBondContact O-CG 3.42Å; M258-E262 PolarHBondContact O-N 2.96Å |
| 259 | L | 84.3 | Confident | 82.4 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.3 | -28.3 | 177.4 | -69.9 | -180 | 0 | 0 | 0 | 112.6 | W183 L186 H187 L190 L240 I256 V257 L263 | W183-L259 HydrophobicContact CG-CD1 4.45Å; L186-L259 HydrophobicContact CD2-CD1 4.13Å; H187-L259 HydrophobicContact CB-CD2 4.31Å; L190-L259 HydrophobicContact CD2-CD2 3.61Å; L240-L259 HydrophobicContact CD1-CB 3.87Å; L240-L259 HydrophobicContact CD1-CD1 4.05Å; L240-L259 HydrophobicContact CD2-CB 4.18Å; I256-L259 PolarHBondContact O-N 3.23Å; V257-L259 VanDerWaalsContact C-N 3.34Å; V257-L259 PolarHBondContact O-N 3.36Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 WeakPolarHBondContact O-CD1 3.48Å; L259-L263 VanDerWaalsContact O-CG 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.66Å; L259-L263 VanDerWaalsContact O-N 3.12Å |
| 260 | S | 85.9 | Confident | 83.2 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 112.1 | I256 V257 L263 H264 | I256-S260 WeakPolarHBondContact O-CB 3.49Å; I256-S260 PolarHBondContact O-N 2.95Å; V257-S260 CarbonylContact O-C 3.43Å; V257-S260 WeakPolarHBondContact O-CB 3.41Å; V257-S260 PolarHBondContact O-N 3.25Å; S260-L263 PolarHBondContact O-N 3.23Å; S260-H264 VanDerWaalsContact O-CB 3.32Å; S260-H264 WeakPolarHBondContact O-CB 3.4Å; S260-H264 PolarHBondContact O-N 2.91Å |
| 261 | D | 86.7 | Confident | 83.6 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | -178.2 | -72.9 | -10 | 0 | 0 | 0 | 111.2 | V257 H264 D265 | V257-D261 WeakPolarHBondContact CG1-OD2 3.22Å; V257-D261 WeakPolarHBondContact O-CB 3.5Å; V257-D261 PolarHBondContact O-N 2.98Å; D261-H264 CarbonylContact O-C 3.5Å; D261-H264 PolarHBondContact O-N 2.94Å; D261-H264 VanDerWaalsContact O-N 3.16Å; D261-D265 PolarHBondContact O-N 3.47Å |
| 262 | E | 87.2 | Confident | 84 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.6 | -67.1 | -79 | -169.6 | 0 | 0 | 111.7 | L190 M258 H264 D265 V266 | L190-E262 HydrophobicContact CD1-CB 4.27Å; L190-E262 HydrophobicContact CD2-CB 3.7Å; L190-E262 HydrophobicContact CD2-CG 4.46Å; L190-E262 HydrophobicContact CG-CB 4.46Å; M258-E262 VanDerWaalsContact O-CG 3.3Å; M258-E262 WeakPolarHBondContact O-CG 3.42Å; M258-E262 PolarHBondContact O-N 2.96Å; E262-H264 VanDerWaalsContact C-N 3.27Å; E262-H264 PolarHBondContact O-N 3.32Å; E262-D265 PolarHBondContact O-N 2.78Å; E262-V266 WeakPolarHBondContact O-CB 3.04Å; E262-V266 WeakPolarHBondContact O-CG2 3.45Å; E262-V266 PolarHBondContact O-N 3.05Å |
| 263 | L | 88.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 170.9 | -81.5 | 168 | 0 | 0 | 0 | 112 | L190 V233 M236 M237 L240 L259 S260 S267 | L190-L263 HydrophobicContact CD1-CD2 4Å; L190-L263 HydrophobicContact CD1-CG 4.11Å; V233-L263 HydrophobicContact CG1-CD2 4.11Å; M236-L263 HydrophobicContact CB-CD1 4.1Å; M236-L263 HydrophobicContact CB-CD2 3.89Å; M236-L263 HydrophobicContact CE-CD2 3.83Å; M236-L263 HydrophobicContact SD-CD2 4.22Å; M237-L263 HydrophobicContact CG-CB 4.42Å; M237-L263 HydrophobicContact CG-CD1 4.17Å; L240-L263 HydrophobicContact CD2-CD1 4.35Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 WeakPolarHBondContact O-CD1 3.48Å; L259-L263 VanDerWaalsContact O-CG 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.66Å; L259-L263 VanDerWaalsContact O-N 3.12Å; S260-L263 PolarHBondContact O-N 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 3.46Å |
| 264 | H | 87.4 | Confident | 84.9 | Confident | 119 Ų | 119 | 52.3 Ų | 52.3 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.7 | -38.3 | 178.8 | -165.9 | 77.9 | 0 | 0 | 0 | 112.6 | S260 D261 E262 S267 K268 | S260-H264 VanDerWaalsContact O-CB 3.32Å; S260-H264 WeakPolarHBondContact O-CB 3.4Å; S260-H264 PolarHBondContact O-N 2.91Å; D261-H264 CarbonylContact O-C 3.5Å; D261-H264 PolarHBondContact O-N 2.94Å; D261-H264 VanDerWaalsContact O-N 3.16Å; E262-H264 VanDerWaalsContact C-N 3.27Å; E262-H264 PolarHBondContact O-N 3.32Å; H264-S267 PolarHBondContact O-N 3.48Å; H264-K268 WeakPolarHBondContact O-CB 3.27Å; H264-K268 PolarHBondContact O-N 3.35Å |
| 265 | D | 86.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 172.1 | -172.3 | 69 | 0 | 0 | 0 | 111.6 | D261 E262 S267 K268 R269 | D261-D265 PolarHBondContact O-N 3.47Å; E262-D265 PolarHBondContact O-N 2.78Å; D265-S267 PolarHBondContact O-N 3.28Å; D265-K268 PolarHBondContact O-N 3.33Å; D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 WeakPolarHBondContact O-CG 3.44Å; D265-R269 PolarHBondContact O-N 3.19Å; D265-R269 WeakPolarHBondContact OD2-CD 3.33Å; D265-R269 IonicContact OD2-NH1 3.56Å |
| 266 | V | 88.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 172.4 | 168.6 | 0 | 0 | 0 | 0 | 111 | L190 L193 M194 L197 V233 E262 K268 R269 L270 | L190-V266 HydrophobicContact CD1-CG2 4.4Å; L193-V266 HydrophobicContact CD2-CG1 3.68Å; L193-V266 HydrophobicContact CG-CG1 3.97Å; M194-V266 HydrophobicContact CG-CG2 3.69Å; L197-V266 HydrophobicContact CD2-CB 4.46Å; L197-V266 HydrophobicContact CD2-CG1 4.24Å; L197-V266 HydrophobicContact CD2-CG2 4.24Å; V233-V266 HydrophobicContact CG2-CG1 4.01Å; E262-V266 WeakPolarHBondContact O-CB 3.04Å; E262-V266 WeakPolarHBondContact O-CG2 3.45Å; E262-V266 PolarHBondContact O-N 3.05Å; V266-K268 PolarHBondContact O-N 3.48Å; V266-R269 PolarHBondContact O-N 3.14Å; V266-L270 HydrophobicContact CG1-CD1 3.95Å; V266-L270 HydrophobicContact CG1-CG 4.45Å; V266-L270 WeakPolarHBondContact O-CB 3.2Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 3.3Å |
| 267 | S | 87.8 | Confident | 84.9 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.1 | -171 | 0 | 0 | 0 | 0 | 112.3 | L263 H264 D265 L270 H271 | L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 3.46Å; H264-S267 PolarHBondContact O-N 3.48Å; D265-S267 PolarHBondContact O-N 3.28Å; S267-L270 PolarHBondContact O-N 3.08Å; S267-H271 WeakPolarHBondContact O-CB 3.39Å; S267-H271 PolarHBondContact O-N 3.31Å; S267-H271 PolarHBondContact O-ND1 3.41Å |
| 268 | K | 87.1 | Confident | 84.6 | Confident | 136 Ų | 136 | 61.9 Ų | 61.9 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65 | -38.1 | 178.8 | -179.8 | -176.9 | 177.8 | -173.9 | 0 | 112.5 | H264 D265 V266 S272 | H264-K268 WeakPolarHBondContact O-CB 3.27Å; H264-K268 PolarHBondContact O-N 3.35Å; D265-K268 PolarHBondContact O-N 3.33Å; V266-K268 PolarHBondContact O-N 3.48Å; K268-S272 VanDerWaalsContact O-CB 3.26Å; K268-S272 WeakPolarHBondContact O-CB 3.2Å; K268-S272 PolarHBondContact O-N 3.29Å |
| 269 | R | 88.5 | Confident | 84 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 174.1 | -76.5 | 166.9 | 67.9 | -175.6 | 2.4 | 111.6 | L197 E201 D265 V266 S272 L273 | L197-R269 HydrophobicContact CD1-CB 4.48Å; L197-R269 HydrophobicContact CD2-CB 3.76Å; E201-R269 IonicContact OE1-CZ 2.67Å; E201-R269 IonicContact OE1-NE 2.66Å; E201-R269 PolarHBondContact OE1-NE 2.78Å; E201-R269 IonicContact OE1-NH2 3.55Å; E201-R269 PolarHBondContact OE1-NH2 3.26Å; E201-R269 IonicContact OE2-CZ 3.1Å; E201-R269 IonicContact OE2-NE 2.71Å; E201-R269 IonicContact OE2-NH2 2.83Å; E201-R269 PolarHBondContact OE2-NH2 3.01Å; D265-R269 WeakPolarHBondContact O-CB 3.48Å; D265-R269 WeakPolarHBondContact O-CG 3.44Å; D265-R269 PolarHBondContact O-N 3.19Å; D265-R269 WeakPolarHBondContact OD2-CD 3.33Å; D265-R269 IonicContact OD2-NH1 3.56Å; V266-R269 PolarHBondContact O-N 3.14Å; R269-S272 WeakPolarHBondContact O-CB 3.44Å; R269-S272 PolarHBondContact O-N 3.3Å; R269-L273 WeakPolarHBondContact O-CG 3.21Å; R269-L273 PolarHBondContact O-N 3.34Å |
| 270 | L | 86.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.8 | -53.4 | 172.7 | -73.6 | 167.2 | 0 | 0 | 0 | 111.3 | W196 L197 I226 V233 V266 S267 S272 L273 E274 | W196-L270 HydrophobicContact CZ3-CD2 3.91Å; L197-L270 HydrophobicContact CD1-CD2 3.96Å; L197-L270 HydrophobicContact CD1-CG 4.27Å; I226-L270 HydrophobicContact CB-CD2 4.45Å; I226-L270 HydrophobicContact CG1-CD2 4.09Å; I226-L270 HydrophobicContact CG2-CB 4.43Å; I226-L270 HydrophobicContact CG2-CD2 4.15Å; V233-L270 HydrophobicContact CG2-CD1 3.79Å; V266-L270 HydrophobicContact CG1-CD1 3.95Å; V266-L270 HydrophobicContact CG1-CG 4.45Å; V266-L270 WeakPolarHBondContact O-CB 3.2Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 3.3Å; S267-L270 PolarHBondContact O-N 3.08Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 2.97Å; L270-L273 PolarHBondContact O-N 3.22Å; L270-L273 VanDerWaalsContact O-N 3.13Å; L270-E274 PolarHBondContact O-N 2.97Å |
| 271 | H | 83.3 | Confident | 82.2 | Confident | 100 Ų | 100 | 62 Ų | 62 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.3 | -77.8 | 85.8 | 0 | 0 | 0 | 112.5 | S267 L273 E274 F275 | S267-H271 WeakPolarHBondContact O-CB 3.39Å; S267-H271 PolarHBondContact O-N 3.31Å; S267-H271 PolarHBondContact O-ND1 3.41Å; H271-L273 VanDerWaalsContact C-N 3.32Å; H271-L273 PolarHBondContact O-N 3.44Å; H271-E274 PolarHBondContact O-N 2.93Å; H271-F275 VanDerWaalsContact O-CB 3.29Å; H271-F275 WeakPolarHBondContact O-CB 3.39Å; H271-F275 PolarHBondContact O-N 2.96Å |
| 272 | S | 84.1 | Confident | 81.2 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 176.5 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | K268 R269 L270 K276 | K268-S272 VanDerWaalsContact O-CB 3.26Å; K268-S272 WeakPolarHBondContact O-CB 3.2Å; K268-S272 PolarHBondContact O-N 3.29Å; R269-S272 WeakPolarHBondContact O-CB 3.44Å; R269-S272 PolarHBondContact O-N 3.3Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 2.97Å; S272-K276 WeakPolarHBondContact O-CD 3.26Å; S272-K276 WeakPolarHBondContact O-CG 3.37Å; S272-K276 PolarHBondContact O-N 3.43Å; S272-K276 PolarHBondContact OG-NZ 2.96Å |
| 273 | L | 83.3 | Confident | 80 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.1 | -46.1 | 175.5 | -67.9 | 166.1 | 0 | 0 | 0 | 111.5 | L197 E201 L204 I226 R269 L270 H271 F275 K276 L277 | L197-L273 HydrophobicContact CD1-CD1 3.71Å; E201-L273 HydrophobicContact CG-CD1 3.69Å; E201-L273 HydrophobicContact CG-CD2 4.2Å; E201-L273 HydrophobicContact CG-CG 4.49Å; L204-L273 HydrophobicContact CD1-CD2 4.13Å; I226-L273 HydrophobicContact CD1-CB 3.84Å; R269-L273 WeakPolarHBondContact O-CG 3.21Å; R269-L273 PolarHBondContact O-N 3.34Å; L270-L273 PolarHBondContact O-N 3.22Å; L270-L273 VanDerWaalsContact O-N 3.13Å; H271-L273 VanDerWaalsContact C-N 3.32Å; H271-L273 PolarHBondContact O-N 3.44Å; L273-F275 VanDerWaalsContact C-N 3.33Å; L273-F275 PolarHBondContact O-N 2.97Å; L273-K276 PolarHBondContact O-N 3.36Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.15Å |
| 274 | E | 83.7 | Confident | 78.7 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 175 | 177.8 | 162 | -137.5 | 0 | 0 | 111.5 | L223 I226 K227 L270 H271 K276 L277 T278 | L223-E274 HydrophobicContact CD1-CB 4.4Å; L223-E274 HydrophobicContact CD1-CG 3.89Å; I226-E274 HydrophobicContact CG2-CB 4.05Å; K227-E274 WeakPolarHBondContact CE-OE1 3.33Å; K227-E274 IonicContact NZ-OE1 3.11Å; L270-E274 PolarHBondContact O-N 2.97Å; H271-E274 PolarHBondContact O-N 2.93Å; E274-K276 PolarHBondContact O-N 2.76Å; E274-L277 PolarHBondContact O-N 3.48Å; E274-T278 VanDerWaalsContact O-CB 3.27Å; E274-T278 WeakPolarHBondContact O-CB 3.35Å; E274-T278 PolarHBondContact O-N 3.36Å; E274-T278 PolarHBondContact O-OG1 3.47Å |
| 275 | F | 79.5 | Confident | 77.5 | Confident | 154 Ų | 154 | 66.3 Ų | 66.3 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.3 | -45.4 | 177.7 | -176.8 | -94.2 | 0 | 0 | 0 | 112.2 | H271 L273 T278 A279 | H271-F275 VanDerWaalsContact O-CB 3.29Å; H271-F275 WeakPolarHBondContact O-CB 3.39Å; H271-F275 PolarHBondContact O-N 2.96Å; L273-F275 VanDerWaalsContact C-N 3.33Å; L273-F275 PolarHBondContact O-N 2.97Å; F275-T278 PolarHBondContact O-N 3.11Å; F275-A279 VanDerWaalsContact O-CB 3.24Å; F275-A279 WeakPolarHBondContact O-CB 3.46Å; F275-A279 PolarHBondContact O-N 3.44Å |
| 276 | K | 78.2 | Confident | 76.4 | Confident | 114 Ų | 114 | 68.9 Ų | 68.9 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 177.4 | -73.6 | 162.2 | -173.5 | 145.7 | 0 | 111.8 | S272 L273 E274 T278 A279 D280 | S272-K276 WeakPolarHBondContact O-CD 3.26Å; S272-K276 WeakPolarHBondContact O-CG 3.37Å; S272-K276 PolarHBondContact O-N 3.43Å; S272-K276 PolarHBondContact OG-NZ 2.96Å; L273-K276 PolarHBondContact O-N 3.36Å; E274-K276 PolarHBondContact O-N 2.76Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 3.06Å; K276-A279 PolarHBondContact O-N 2.92Å; K276-D280 PolarHBondContact O-N 3.49Å |
| 277 | L | 78.4 | Confident | 75.1 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 179.3 | -68.8 | 171.3 | 0 | 0 | 0 | 112 | L204 F208 A219 L223 I226 L273 E274 K281 | L204-L277 HydrophobicContact CD1-CD1 4.19Å; L204-L277 HydrophobicContact CD2-CD2 3.95Å; F208-L277 HydrophobicContact CZ-CD2 4.09Å; A219-L277 HydrophobicContact CB-CD2 3.91Å; L223-L277 HydrophobicContact CD1-CB 4.37Å; L223-L277 HydrophobicContact CD1-CD1 4.46Å; I226-L277 HydrophobicContact CD1-CD1 3.92Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.42Å; L273-L277 PolarHBondContact O-N 3.15Å; E274-L277 PolarHBondContact O-N 3.48Å; L277-K281 PolarHBondContact O-N 3.42Å |
| 278 | T | 76.8 | Confident | 73.9 | Confident | 47 Ų | 47 | 72 Ų | 72 | 29% | 0.288 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.6 | -41 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | E274 F275 K276 D280 K281 N282 | E274-T278 VanDerWaalsContact O-CB 3.27Å; E274-T278 WeakPolarHBondContact O-CB 3.35Å; E274-T278 PolarHBondContact O-N 3.36Å; E274-T278 PolarHBondContact O-OG1 3.47Å; F275-T278 PolarHBondContact O-N 3.11Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 3.06Å; T278-D280 PolarHBondContact O-N 3.38Å; T278-K281 WeakPolarHBondContact O-CB 3.4Å; T278-K281 PolarHBondContact O-N 3.4Å; T278-N282 PolarHBondContact O-N 3.17Å; T278-N282 PolarHBondContact O-OD1 2.66Å |
| 279 | A | 70.7 | Confident | 73 | Confident | 40 Ų | 40 | 70 Ų | 70 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F275 K276 N282 R283 | F275-A279 VanDerWaalsContact O-CB 3.24Å; F275-A279 WeakPolarHBondContact O-CB 3.46Å; F275-A279 PolarHBondContact O-N 3.44Å; K276-A279 PolarHBondContact O-N 2.92Å; A279-N282 PolarHBondContact O-N 2.99Å; A279-R283 WeakPolarHBondContact O-CB 3.41Å; A279-R283 PolarHBondContact O-N 2.99Å |
| 280 | D | 65.3 | Low | 72 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 172.9 | -85.6 | -17.3 | 0 | 0 | 0 | 112.4 | K276 T278 N282 R283 L284 | K276-D280 PolarHBondContact O-N 3.49Å; T278-D280 PolarHBondContact O-N 3.38Å; D280-N282 VanDerWaalsContact C-N 3.33Å; D280-N282 PolarHBondContact O-N 3.15Å; D280-R283 IonicContact OD1-CZ 2.82Å; D280-R283 IonicContact OD1-NH1 3.55Å; D280-R283 PolarHBondContact OD1-NH1 3.34Å; D280-R283 IonicContact OD1-NH2 2.66Å; D280-R283 PolarHBondContact OD1-NH2 2.9Å; D280-L284 WeakPolarHBondContact O-CB 3.47Å; D280-L284 WeakPolarHBondContact O-CD1 3.47Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 3.23Å |
| 281 | K | 67.3 | Low | 71.2 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 39% | 0.391 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.7 | -52.4 | 171.1 | -176.6 | -171.7 | 176.9 | -175.4 | 0 | 109.8 | L277 T278 L284 Q285 D1831 | L277-K281 PolarHBondContact O-N 3.42Å; T278-K281 WeakPolarHBondContact O-CB 3.4Å; T278-K281 PolarHBondContact O-N 3.4Å; K281-L284 PolarHBondContact O-N 2.98Å; K281-Q285 PolarHBondContact O-N 3.45Å; K281-D1831 IonicContact NZ-OD2 3.59Å; K281-D1831 PolarHBondContact NZ-OD2 3.26Å |
| 282 | N | 66.9 | Low | 70.7 | Confident | 89 Ų | 89 | 69 Ų | 69 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.4 | -46.1 | -174 | -64.5 | 1.3 | 0 | 0 | 0 | 112.5 | T278 A279 D280 L284 Q285 Q286 | T278-N282 PolarHBondContact O-N 3.17Å; T278-N282 PolarHBondContact O-OD1 2.66Å; A279-N282 PolarHBondContact O-N 2.99Å; D280-N282 VanDerWaalsContact C-N 3.33Å; D280-N282 PolarHBondContact O-N 3.15Å; N282-L284 VanDerWaalsContact C-N 3.26Å; N282-L284 PolarHBondContact O-N 3.5Å; N282-Q285 PolarHBondContact O-N 2.95Å; N282-Q285 VanDerWaalsContact O-N 3.09Å; N282-Q286 PolarHBondContact O-N 3.36Å |
| 283 | R | 61.2 | Low | 70.3 | Confident | 143 Ų | 143 | 72 Ų | 72 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 178.4 | -171.4 | -178.6 | 69.8 | -110 | -9.5 | 112 | A279 D280 Q285 Q286 S287 | A279-R283 WeakPolarHBondContact O-CB 3.41Å; A279-R283 PolarHBondContact O-N 2.99Å; D280-R283 IonicContact OD1-CZ 2.82Å; D280-R283 IonicContact OD1-NH1 3.55Å; D280-R283 PolarHBondContact OD1-NH1 3.34Å; D280-R283 IonicContact OD1-NH2 2.66Å; D280-R283 PolarHBondContact OD1-NH2 2.9Å; R283-Q285 VanDerWaalsContact C-N 3.35Å; R283-Q286 PolarHBondContact O-N 2.98Å; R283-S287 PolarHBondContact O-N 2.83Å |
| 284 | L | 60.7 | Low | 70 | Confident | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.2 | -23.8 | 178.9 | -79.3 | 160.2 | 0 | 0 | 0 | 113.7 | D280 K281 N282 N357 | D280-L284 WeakPolarHBondContact O-CB 3.47Å; D280-L284 WeakPolarHBondContact O-CD1 3.47Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 3.23Å; K281-L284 PolarHBondContact O-N 2.98Å; N282-L284 VanDerWaalsContact C-N 3.26Å; N282-L284 PolarHBondContact O-N 3.5Å; L284-N357 WeakPolarHBondContact CD1-ND2 3.19Å |
| 285 | Q | 62.7 | Low | 69.8 | Low | 115 Ų | 115 | 72.4 Ų | 72.4 | 54% | 0.537 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -78 | -39.9 | 170.1 | -70.2 | 179.9 | -97.9 | 0 | 0 | 111.3 | K281 N282 R283 D288 L289 | K281-Q285 PolarHBondContact O-N 3.45Å; N282-Q285 PolarHBondContact O-N 2.95Å; N282-Q285 VanDerWaalsContact O-N 3.09Å; R283-Q285 VanDerWaalsContact C-N 3.35Å; Q285-D288 PolarHBondContact O-N 3.5Å; Q285-L289 PolarHBondContact O-N 3.49Å |
| 286 | Q | 63.5 | Low | 69.9 | Low | 117 Ų | 117 | 70.9 Ų | 70.9 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | -178.3 | -167.8 | 178.1 | -37.9 | 0 | 0 | 112.2 | N282 R283 D288 L289 E290 | N282-Q286 PolarHBondContact O-N 3.36Å; R283-Q286 PolarHBondContact O-N 2.98Å; Q286-D288 PolarHBondContact O-N 3.4Å; Q286-L289 WeakPolarHBondContact O-CA 3.29Å; Q286-L289 VanDerWaalsContact O-CB 3.32Å; Q286-L289 WeakPolarHBondContact O-CB 3.3Å; Q286-L289 PolarHBondContact O-N 2.9Å; Q286-E290 HydrophobicContact CG-CG 4.33Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.27Å; Q286-E290 PolarHBondContact NE2-OE1 3.21Å; Q286-E290 WeakPolarHBondContact O-CG 3.45Å; Q286-E290 PolarHBondContact O-N 3.48Å |
| 287 | S | 60.8 | Low | 70.1 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.8 | -9.3 | 178.8 | -57 | 0 | 0 | 0 | 0 | 115.1 | R283 E290 A291 | R283-S287 PolarHBondContact O-N 2.83Å; S287-E290 VanDerWaalsContact CA-OE2 3.27Å; S287-E290 WeakPolarHBondContact CA-OE2 3.45Å; S287-E290 PolarHBondContact OG-OE2 2.92Å; S287-A291 WeakPolarHBondContact O-CB 3.45Å |
| 288 | D | 62.4 | Low | 70.4 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -84.5 | -20.5 | 165.8 | -176.1 | 66.9 | 0 | 0 | 0 | 111.6 | Q285 Q286 K292 I358 | Q285-D288 PolarHBondContact O-N 3.5Å; Q286-D288 PolarHBondContact O-N 3.4Å; D288-K292 WeakPolarHBondContact O-CG 3.31Å; D288-K292 PolarHBondContact O-NZ 3.14Å; D288-K292 IonicContact OD1-NZ 2.63Å; D288-K292 IonicContact OD2-NZ 2.78Å; D288-K292 PolarHBondContact OD2-NZ 3.12Å; D288-I358 WeakPolarHBondContact OD1-CD1 3.4Å |
| 289 | L | 68.9 | Low | 70.8 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.6 | -50.8 | 172.7 | -162.7 | 74.7 | 0 | 0 | 0 | 110.9 | Q285 Q286 A291 K292 E293 | Q285-L289 PolarHBondContact O-N 3.49Å; Q286-L289 WeakPolarHBondContact O-CA 3.29Å; Q286-L289 VanDerWaalsContact O-CB 3.32Å; Q286-L289 WeakPolarHBondContact O-CB 3.3Å; Q286-L289 PolarHBondContact O-N 2.9Å; L289-A291 PolarHBondContact O-N 2.63Å; L289-K292 WeakPolarHBondContact O-CA 3.32Å; L289-K292 WeakPolarHBondContact O-CB 3.49Å; L289-K292 PolarHBondContact O-N 2.7Å; L289-E293 PolarHBondContact O-N 3.33Å |
| 290 | E | 68.6 | Low | 71.6 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 34% | 0.341 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -52.1 | -42.9 | 177.4 | -67.5 | 163.5 | 163.9 | 0 | 0 | 111.5 | Q286 S287 K292 E293 E294 | Q286-E290 HydrophobicContact CG-CG 4.33Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.27Å; Q286-E290 PolarHBondContact NE2-OE1 3.21Å; Q286-E290 WeakPolarHBondContact O-CG 3.45Å; Q286-E290 PolarHBondContact O-N 3.48Å; S287-E290 VanDerWaalsContact CA-OE2 3.27Å; S287-E290 WeakPolarHBondContact CA-OE2 3.45Å; S287-E290 PolarHBondContact OG-OE2 2.92Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 2.86Å; E290-E293 PolarHBondContact O-N 3.24Å; E290-E294 PolarHBondContact O-N 3.45Å |
| 291 | A | 68.2 | Low | 72.7 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.2 | -9.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | S287 L289 L345 T348 L352 | S287-A291 WeakPolarHBondContact O-CB 3.45Å; L289-A291 PolarHBondContact O-N 2.63Å; A291-L345 HydrophobicContact CB-CD1 4.42Å; A291-T348 HydrophobicContact CB-CG2 4.03Å; A291-L352 HydrophobicContact CB-CD1 3.85Å |
| 292 | K | 73.3 | Confident | 73.7 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -92.2 | -42.8 | 168.5 | -67.6 | -175.4 | -162.3 | 82.5 | 0 | 111 | D288 L289 E290 E294 L295 E296 | D288-K292 WeakPolarHBondContact O-CG 3.31Å; D288-K292 PolarHBondContact O-NZ 3.14Å; D288-K292 IonicContact OD1-NZ 2.63Å; D288-K292 IonicContact OD2-NZ 2.78Å; D288-K292 PolarHBondContact OD2-NZ 3.12Å; L289-K292 WeakPolarHBondContact O-CA 3.32Å; L289-K292 WeakPolarHBondContact O-CB 3.49Å; L289-K292 PolarHBondContact O-N 2.7Å; E290-K292 VanDerWaalsContact C-N 3.28Å; E290-K292 PolarHBondContact O-N 2.86Å; K292-E294 PolarHBondContact O-N 2.87Å; K292-L295 WeakPolarHBondContact O-CA 3.36Å; K292-L295 WeakPolarHBondContact O-CB 3.37Å; K292-L295 PolarHBondContact O-N 2.94Å; K292-E296 WeakPolarHBondContact O-CG 3.17Å; K292-E296 PolarHBondContact O-N 2.98Å |
| 293 | E | 75.6 | Confident | 74.5 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 176.8 | -67.4 | 173.6 | 179.8 | 0 | 0 | 111.3 | L289 E290 L295 E296 E297 | L289-E293 PolarHBondContact O-N 3.33Å; E290-E293 PolarHBondContact O-N 3.24Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.23Å; E293-E296 PolarHBondContact O-N 3.21Å; E293-E297 PolarHBondContact O-N 3.16Å |
| 294 | E | 77.6 | Confident | 75.7 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 172.7 | -77.1 | -170.5 | 156.5 | 0 | 0 | 113.1 | E290 K292 L298 L345 | E290-E294 PolarHBondContact O-N 3.45Å; K292-E294 PolarHBondContact O-N 2.87Å; E294-L298 WeakPolarHBondContact O-CB 3.32Å; E294-L298 WeakPolarHBondContact O-CD1 3.47Å; E294-L298 WeakPolarHBondContact O-CG 3.41Å; E294-L298 PolarHBondContact O-N 2.71Å; E294-L345 HydrophobicContact CB-CD1 3.99Å; E294-L345 WeakPolarHBondContact OE2-CA 3.39Å |
| 295 | L | 80.1 | Confident | 77 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.1 | -41.6 | 179 | -170.8 | 82.3 | 0 | 0 | 0 | 111.2 | K292 E293 L298 L299 L345 L366 Q369 L373 | K292-L295 WeakPolarHBondContact O-CA 3.36Å; K292-L295 WeakPolarHBondContact O-CB 3.37Å; K292-L295 PolarHBondContact O-N 2.94Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.23Å; L295-L298 PolarHBondContact O-N 3.14Å; L295-L299 HydrophobicContact CG-CD1 4.31Å; L295-L299 WeakPolarHBondContact O-CB 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.14Å; L295-L345 HydrophobicContact CB-CD2 4.42Å; L295-L345 HydrophobicContact CD1-CD2 3.71Å; L295-L366 HydrophobicContact CD2-CD2 3.86Å; L295-Q369 HydrophobicContact CD1-CB 4.04Å; L295-Q369 HydrophobicContact CD2-CB 4.32Å; L295-L373 HydrophobicContact CD1-CD1 3.52Å; L295-L373 HydrophobicContact CG-CD1 4.38Å |
| 296 | E | 80.9 | Confident | 78 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.5 | -38.6 | -179.8 | -72.6 | 172.6 | -166.6 | 0 | 0 | 111.4 | K292 E293 L298 L299 F300 | K292-E296 WeakPolarHBondContact O-CG 3.17Å; K292-E296 PolarHBondContact O-N 2.98Å; E293-E296 PolarHBondContact O-N 3.21Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.21Å; E296-L299 PolarHBondContact O-N 2.94Å; E296-F300 VanDerWaalsContact O-CB 3.28Å; E296-F300 WeakPolarHBondContact O-CB 3.2Å; E296-F300 PolarHBondContact O-N 3.17Å |
| 297 | E | 82.6 | Confident | 78.9 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 171.8 | -160.9 | -153.3 | 130 | 0 | 0 | 111.9 | E293 W301 K338 Q341 | E293-E297 PolarHBondContact O-N 3.16Å; E297-W301 WeakPolarHBondContact O-CB 3.43Å; E297-W301 PolarHBondContact O-N 3.27Å; E297-K338 IonicContact OE1-NZ 3.23Å; E297-K338 PolarHBondContact OE1-NZ 2.78Å; E297-Q341 VanDerWaalsContact CD-NE2 3.34Å; E297-Q341 PolarHBondContact OE1-NE2 3.47Å; E297-Q341 PolarHBondContact OE1-OE1 3.38Å; E297-Q341 PolarHBondContact OE2-NE2 2.78Å |
| 298 | L | 85.3 | Confident | 80.1 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 177.4 | -77.9 | 170.1 | 0 | 0 | 0 | 112.9 | E294 L295 E296 L302 K338 Q341 L342 L345 L373 | E294-L298 WeakPolarHBondContact O-CB 3.32Å; E294-L298 WeakPolarHBondContact O-CD1 3.47Å; E294-L298 WeakPolarHBondContact O-CG 3.41Å; E294-L298 PolarHBondContact O-N 2.71Å; L295-L298 PolarHBondContact O-N 3.14Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.21Å; L298-L302 WeakPolarHBondContact O-CD1 3.39Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 3.49Å; L298-K338 HydrophobicContact CD2-CB 4.34Å; L298-K338 HydrophobicContact CD2-CD 4.14Å; L298-Q341 HydrophobicContact CD1-CB 4.37Å; L298-Q341 HydrophobicContact CD2-CB 3.98Å; L298-Q341 HydrophobicContact CG-CB 4.4Å; L298-L342 HydrophobicContact CD1-CB 4.15Å; L298-L342 HydrophobicContact CD1-CD1 4.25Å; L298-L345 HydrophobicContact CD1-CD2 3.98Å; L298-L373 HydrophobicContact CB-CD1 3.89Å; L298-L373 HydrophobicContact CB-CD2 4.07Å; L298-L373 HydrophobicContact CD1-CD1 4.2Å |
| 299 | L | 84.5 | Confident | 81 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -49.7 | 173.3 | -76.3 | 168.6 | 0 | 0 | 0 | 111.1 | L295 E296 W301 L302 D303 L373 | L295-L299 HydrophobicContact CG-CD1 4.31Å; L295-L299 WeakPolarHBondContact O-CB 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 3.14Å; E296-L299 PolarHBondContact O-N 2.94Å; L299-W301 PolarHBondContact O-N 3.25Å; L299-L302 PolarHBondContact O-N 2.69Å; L299-L302 VanDerWaalsContact O-N 3.11Å; L299-D303 PolarHBondContact O-N 3.49Å; L299-L373 HydrophobicContact CD2-CD2 3.66Å; L299-L373 HydrophobicContact CD2-CG 4.4Å; L299-L373 HydrophobicContact CG-CD2 3.93Å |
| 300 | F | 86.3 | Confident | 81.6 | Confident | 140 Ų | 140 | 56.1 Ų | 56.1 | 61% | 0.614 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.6 | -46.1 | 179.7 | 179.9 | -93.6 | 0 | 0 | 0 | 112 | E296 L302 D303 E304 | E296-F300 VanDerWaalsContact O-CB 3.28Å; E296-F300 WeakPolarHBondContact O-CB 3.2Å; E296-F300 PolarHBondContact O-N 3.17Å; F300-L302 VanDerWaalsContact C-N 3.3Å; F300-L302 PolarHBondContact O-N 3.05Å; F300-D303 PolarHBondContact O-N 3.21Å; F300-E304 VanDerWaalsContact O-CB 3.31Å; F300-E304 WeakPolarHBondContact O-CB 3.39Å; F300-E304 PolarHBondContact O-N 3.25Å |
| 301 | W | 89.6 | Confident | 82 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 177.8 | -177.4 | 87.1 | 0 | 0 | 0 | 112.7 | E297 L299 T305 E334 V335 K338 L377 V380 | E297-W301 WeakPolarHBondContact O-CB 3.43Å; E297-W301 PolarHBondContact O-N 3.27Å; L299-W301 PolarHBondContact O-N 3.25Å; W301-T305 VanDerWaalsContact O-CB 3.29Å; W301-T305 WeakPolarHBondContact O-CB 3.48Å; W301-T305 PolarHBondContact O-N 2.94Å; W301-T305 PolarHBondContact O-OG1 3.04Å; W301-E334 HydrophobicContact CZ2-CB 3.94Å; W301-E334 PolarHBondContact NE1-OE2 3.5Å; W301-V335 HydrophobicContact CH2-CG2 3.91Å; W301-K338 VanDerWaalsContact CD1-CE 3.47Å; W301-K338 HydrophobicContact CD2-CD 4.15Å; W301-K338 HydrophobicContact CD2-CG 3.71Å; W301-K338 HydrophobicContact CE3-CB 4.4Å; W301-K338 HydrophobicContact CE3-CG 3.91Å; W301-K338 HydrophobicContact CG-CD 4.14Å; W301-K338 VanDerWaalsContact CG-CE 3.49Å; W301-K338 HydrophobicContact CG-CG 4.22Å; W301-K338 HydrophobicContact CH2-CG 4.25Å; W301-K338 HydrophobicContact CZ2-CG 4.04Å; W301-K338 HydrophobicContact CZ3-CB 4.4Å; W301-K338 HydrophobicContact CZ3-CG 4.19Å; W301-L377 HydrophobicContact CE3-CD1 4.46Å; W301-L377 HydrophobicContact CH2-CD1 4.19Å; W301-L377 HydrophobicContact CZ3-CD1 3.59Å; W301-V380 HydrophobicContact CH2-CG1 4.42Å; W301-V380 HydrophobicContact CZ3-CG1 4.32Å |
| 302 | L | 87.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.3 | -44 | 175.3 | -71.7 | 166.7 | 0 | 0 | 0 | 111.8 | L298 L299 F300 T305 D306 L373 R376 L377 V380 | L298-L302 WeakPolarHBondContact O-CD1 3.39Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 3.49Å; L299-L302 PolarHBondContact O-N 2.69Å; L299-L302 VanDerWaalsContact O-N 3.11Å; F300-L302 VanDerWaalsContact C-N 3.3Å; F300-L302 PolarHBondContact O-N 3.05Å; L302-T305 PolarHBondContact O-N 3.44Å; L302-D306 WeakPolarHBondContact O-CB 3.47Å; L302-D306 PolarHBondContact O-N 3.09Å; L302-L373 HydrophobicContact CD1-CD2 3.35Å; L302-R376 HydrophobicContact CD1-CB 3.73Å; L302-R376 HydrophobicContact CD2-CB 4.26Å; L302-L377 HydrophobicContact CD2-CB 4.25Å; L302-L377 HydrophobicContact CD2-CD1 4.2Å; L302-V380 HydrophobicContact CD2-CB 4.22Å; L302-V380 HydrophobicContact CD2-CG2 3.82Å |
| 303 | D | 85.2 | Confident | 82.5 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.5 | -67.7 | -18.6 | 0 | 0 | 0 | 111.6 | L299 F300 S307 R376 | L299-D303 PolarHBondContact O-N 3.49Å; F300-D303 PolarHBondContact O-N 3.21Å; D303-S307 WeakPolarHBondContact O-CB 3.44Å; D303-S307 PolarHBondContact O-N 3.36Å; D303-R376 IonicContact OD1-CZ 2.9Å; D303-R376 IonicContact OD1-NH1 3.18Å; D303-R376 PolarHBondContact OD1-NH1 3.02Å; D303-R376 IonicContact OD1-NH2 3.67Å; D303-R376 PolarHBondContact OD1-NH2 3.27Å |
| 304 | E | 86.3 | Confident | 82.7 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 173.4 | -166.4 | -155.7 | -175.5 | 0 | 0 | 111.7 | F300 S307 F308 R331 | F300-E304 VanDerWaalsContact O-CB 3.31Å; F300-E304 WeakPolarHBondContact O-CB 3.39Å; F300-E304 PolarHBondContact O-N 3.25Å; E304-S307 WeakPolarHBondContact O-CB 3.32Å; E304-S307 PolarHBondContact O-N 3.03Å; E304-F308 WeakPolarHBondContact O-CB 3.36Å; E304-F308 PolarHBondContact O-N 3.06Å; E304-R331 IonicContact OE1-CZ 3.84Å; E304-R331 IonicContact OE1-NH2 3.52Å; E304-R331 PolarHBondContact OE1-NH2 2.7Å; E304-R331 IonicContact OE2-CZ 3.54Å; E304-R331 IonicContact OE2-NH1 2.69Å; E304-R331 PolarHBondContact OE2-NH1 2.73Å; E304-R331 IonicContact OE2-NH2 2.69Å; E304-R331 PolarHBondContact OE2-NH2 2.62Å |
| 305 | T | 86.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -37.4 | 178 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | W301 L302 S307 F308 L309 R331 V380 L384 | W301-T305 VanDerWaalsContact O-CB 3.29Å; W301-T305 WeakPolarHBondContact O-CB 3.48Å; W301-T305 PolarHBondContact O-N 2.94Å; W301-T305 PolarHBondContact O-OG1 3.04Å; L302-T305 PolarHBondContact O-N 3.44Å; T305-S307 VanDerWaalsContact C-N 3.32Å; T305-F308 PolarHBondContact O-N 3.28Å; T305-L309 HydrophobicContact CG2-CD1 4.38Å; T305-L309 WeakPolarHBondContact O-CB 3.41Å; T305-L309 VanDerWaalsContact O-CG 3.26Å; T305-L309 WeakPolarHBondContact O-CG 3.42Å; T305-L309 PolarHBondContact O-N 3.47Å; T305-R331 HydrophobicContact CG2-CB 4.45Å; T305-R331 HydrophobicContact CG2-CG 4.36Å; T305-R331 PolarHBondContact OG1-NH1 3.24Å; T305-V380 HydrophobicContact CG2-CG1 3.47Å; T305-V380 VanDerWaalsContact CG2-CG1 3.47Å; T305-L384 HydrophobicContact CG2-CD1 4.11Å; T305-L384 HydrophobicContact CG2-CD2 4.21Å; T305-L384 HydrophobicContact CG2-CG 4.35Å |
| 306 | D | 84.4 | Confident | 82.8 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 171.8 | -79.2 | -35.6 | 0 | 0 | 0 | 110.9 | L302 S310 R376 V380 | L302-D306 WeakPolarHBondContact O-CB 3.47Å; L302-D306 PolarHBondContact O-N 3.09Å; D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 2.88Å; D306-S310 VanDerWaalsContact O-N 3.08Å; D306-S310 PolarHBondContact O-OG 3.43Å; D306-R376 IonicContact OD2-CZ 2.67Å; D306-R376 IonicContact OD2-NE 2.7Å; D306-R376 IonicContact OD2-NH2 2.74Å; D306-R376 PolarHBondContact OD2-NH2 2.93Å; D306-V380 WeakPolarHBondContact OD1-CG2 3.32Å |
| 307 | S | 82.4 | Confident | 82.8 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 171.6 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | D303 E304 T305 L309 S310 T311 | D303-S307 WeakPolarHBondContact O-CB 3.44Å; D303-S307 PolarHBondContact O-N 3.36Å; E304-S307 WeakPolarHBondContact O-CB 3.32Å; E304-S307 PolarHBondContact O-N 3.03Å; T305-S307 VanDerWaalsContact C-N 3.32Å; S307-L309 PolarHBondContact O-N 2.98Å; S307-S310 CarbonylContact O-C 3.5Å; S307-S310 WeakPolarHBondContact O-CB 3.44Å; S307-S310 PolarHBondContact O-N 3.37Å; S307-S310 VanDerWaalsContact O-N 3.1Å; S307-T311 PolarHBondContact O-N 2.91Å; S307-T311 PolarHBondContact O-OG1 3.42Å |
| 308 | F | 85 | Confident | 82.8 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 10% | 0.101 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 173.4 | 164.5 | -109.2 | 0 | 0 | 0 | 112.3 | E304 T305 S310 T311 L324 R327 A328 R331 L384 | E304-F308 WeakPolarHBondContact O-CB 3.36Å; E304-F308 PolarHBondContact O-N 3.06Å; T305-F308 PolarHBondContact O-N 3.28Å; F308-S310 PolarHBondContact O-N 3.04Å; F308-T311 VanDerWaalsContact O-CB 3.27Å; F308-T311 WeakPolarHBondContact O-CB 3.4Å; F308-T311 PolarHBondContact O-N 3.27Å; F308-T311 PolarHBondContact O-OG1 3.34Å; F308-L324 HydrophobicContact CE2-CD2 3.83Å; F308-R327 HydrophobicContact CD2-CB 4.43Å; F308-R327 HydrophobicContact CE2-CB 3.56Å; F308-R327 HydrophobicContact CE2-CG 4.5Å; F308-R327 HydrophobicContact CZ-CB 3.66Å; F308-A328 HydrophobicContact CE1-CB 3.9Å; F308-A328 HydrophobicContact CZ-CB 3.86Å; F308-R331 HydrophobicContact CD1-CG 4.32Å; F308-R331 HydrophobicContact CE1-CG 4.5Å; F308-L384 HydrophobicContact CD1-CD2 4.29Å; F308-L384 HydrophobicContact CE1-CD2 3.97Å |
| 309 | L | 82.5 | Confident | 82.7 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -27.5 | 175.9 | -75.1 | 168.5 | 0 | 0 | 0 | 112.8 | T305 S307 V380 E383 L384 R387 | T305-L309 HydrophobicContact CG2-CD1 4.38Å; T305-L309 WeakPolarHBondContact O-CB 3.41Å; T305-L309 VanDerWaalsContact O-CG 3.26Å; T305-L309 WeakPolarHBondContact O-CG 3.42Å; T305-L309 PolarHBondContact O-N 3.47Å; S307-L309 PolarHBondContact O-N 2.98Å; L309-V380 HydrophobicContact CD1-CG1 4.4Å; L309-E383 HydrophobicContact CD1-CB 4.01Å; L309-E383 HydrophobicContact CD1-CG 4.21Å; L309-E383 HydrophobicContact CD2-CB 4.46Å; L309-E383 HydrophobicContact CD2-CG 4.28Å; L309-L384 HydrophobicContact CD1-CG 4.44Å; L309-L384 HydrophobicContact CD2-CD2 3.88Å; L309-L384 HydrophobicContact CD2-CG 4.15Å; L309-L384 HydrophobicContact CG-CD2 4.34Å; L309-R387 HydrophobicContact CD2-CB 4.15Å; L309-R387 HydrophobicContact CD2-CG 3.77Å; L309-R387 PolarHBondContact O-NH1 2.89Å; L309-R387 PolarHBondContact O-NH2 3.25Å; L309-R387 VanDerWaalsContact O-NH2 3.11Å |
| 310 | S | 80.4 | Confident | 82.7 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.5 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 114 | D306 S307 F308 | D306-S310 WeakPolarHBondContact O-CB 3.43Å; D306-S310 PolarHBondContact O-N 2.88Å; D306-S310 VanDerWaalsContact O-N 3.08Å; D306-S310 PolarHBondContact O-OG 3.43Å; S307-S310 CarbonylContact O-C 3.5Å; S307-S310 WeakPolarHBondContact O-CB 3.44Å; S307-S310 PolarHBondContact O-N 3.37Å; S307-S310 VanDerWaalsContact O-N 3.1Å; F308-S310 PolarHBondContact O-N 3.04Å |
| 311 | T | 76.9 | Confident | 82.7 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | trans | -68.1 | 124.7 | -176.8 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | S307 F308 L324 | S307-T311 PolarHBondContact O-N 2.91Å; S307-T311 PolarHBondContact O-OG1 3.42Å; F308-T311 VanDerWaalsContact O-CB 3.27Å; F308-T311 WeakPolarHBondContact O-CB 3.4Å; F308-T311 PolarHBondContact O-N 3.27Å; F308-T311 PolarHBondContact O-OG1 3.34Å; T311-L324 HydrophobicContact CG2-CD2 4.47Å | ||
| 312 | P | 76.1 | Confident | 82.5 | Confident | 69 Ų | 69 | 47 Ų | 47 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | trans | -72.8 | 155.7 | 175.2 | 31.1 | -35.2 | 0 | 0 | 0 | 111.3 | A468 | P312-A468 HydrophobicContact CB-CB 4.33Š| ||
| 313 | F | 77.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | trans | -142.8 | 150 | -174.6 | 60.4 | -94.4 | 0 | 0 | 0 | 112.5 | P315 Q320 L321 L324 Y391 K394 | F313-P315 WeakPolarHBondContact O-CD 3.23Å; F313-Q320 VanDerWaalsContact CA-OE1 3.25Å; F313-L321 HydrophobicContact CD2-CD2 3.54Å; F313-L321 HydrophobicContact CE2-CD2 3.93Å; F313-L321 HydrophobicContact CG-CD2 4.22Å; F313-L324 HydrophobicContact CB-CD1 3.52Å; F313-L324 HydrophobicContact CG-CD1 4.28Å; F313-Y391 AromaticContact CD1-CE1 3.88Å; F313-Y391 HydrophobicContact CD1-CE1 3.88Å; F313-Y391 AromaticContact CE1-CE1 3.99Å; F313-Y391 HydrophobicContact CE1-CE1 3.99Å; F313-Y391 HydrophobicContact CG-CE1 4.35Å; F313-K394 HydrophobicContact CE2-CG 4.2Å | ||
| 314 | D | 79.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | trans | -80.3 | 114.8 | 170 | -176.9 | -13.1 | 0 | 0 | 0 | 108.9 | T316 D317 G471 | D314-T316 VanDerWaalsContact CG-OG1 3.31Å; D314-T316 PolarHBondContact O-N 2.87Å; D314-T316 VanDerWaalsContact O-N 3.09Å; D314-T316 WeakPolarHBondContact OD1-CA 3.15Å; D314-T316 WeakPolarHBondContact OD1-CB 3.37Å; D314-T316 PolarHBondContact OD1-N 3Å; D314-T316 PolarHBondContact OD1-OG1 3.28Å; D314-T316 PolarHBondContact OD2-OG1 2.77Å; D314-D317 HydrophobicContact CB-CB 4.01Å; D314-D317 PolarHBondContact O-N 3.31Å; D314-D317 VanDerWaalsContact O-N 3.1Å; D314-G471 PolarHBondContact OD2-N 2.9Å | ||
| 315 | P | 79.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.2 | 177.7 | 31.3 | -36.5 | 0 | 0 | 0 | 113.2 | F313 C398 F459 V463 | F313-P315 WeakPolarHBondContact O-CD 3.23Å; P315-C398 WeakPolarHBondContact O-CB 3.36Å; P315-F459 HydrophobicContact CB-CD1 3.72Å; P315-F459 HydrophobicContact CB-CE1 3.93Å; P315-F459 HydrophobicContact CB-CG 4.31Å; P315-F459 HydrophobicContact CG-CB 3.99Å; P315-F459 HydrophobicContact CG-CD1 3.81Å; P315-F459 HydrophobicContact CG-CG 4.02Å; P315-V463 HydrophobicContact CG-CG2 3.72Å |
| 316 | T | 78.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1.9 | 173.6 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | D314 C398 F401 W402 F459 L470 T474 | D314-T316 VanDerWaalsContact CG-OG1 3.31Å; D314-T316 PolarHBondContact O-N 2.87Å; D314-T316 VanDerWaalsContact O-N 3.09Å; D314-T316 WeakPolarHBondContact OD1-CA 3.15Å; D314-T316 WeakPolarHBondContact OD1-CB 3.37Å; D314-T316 PolarHBondContact OD1-N 3Å; D314-T316 PolarHBondContact OD1-OG1 3.28Å; D314-T316 PolarHBondContact OD2-OG1 2.77Å; T316-C398 PolarHBondContact O-SG 2.85Å; T316-F401 HydrophobicContact CG2-CD1 4.13Å; T316-F401 HydrophobicContact CG2-CE1 3.92Å; T316-F401 HydrophobicContact CG2-CZ 4.22Å; T316-W402 PolarHBondContact O-NE1 3.24Å; T316-F459 HydrophobicContact CG2-CB 4.31Å; T316-F459 HydrophobicContact CG2-CD2 3.41Å; T316-F459 VanDerWaalsContact CG2-CD2 3.41Å; T316-F459 HydrophobicContact CG2-CE2 3.84Å; T316-F459 HydrophobicContact CG2-CG 4.06Å; T316-L470 HydrophobicContact CG2-CD2 3.78Å; T316-T474 HydrophobicContact CG2-CG2 3.97Å; T316-T474 WeakPolarHBondContact OG1-CG2 3.14Å; T316-T474 PolarHBondContact OG1-OG1 3.12Å |
| 317 | D | 82.1 | Confident | 82.9 | Confident | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | trans | -95.2 | 98.2 | 170.9 | -170.2 | -20.5 | 0 | 0 | 0 | 110.9 | D314 Q319 Q320 L321 | D314-D317 HydrophobicContact CB-CB 4.01Å; D314-D317 PolarHBondContact O-N 3.31Å; D314-D317 VanDerWaalsContact O-N 3.1Å; D317-Q319 PolarHBondContact O-N 2.88Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.37Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.48Å; D317-Q319 PolarHBondContact OD1-N 2.68Å; D317-Q320 HydrophobicContact CB-CB 3.8Å; D317-Q320 PolarHBondContact O-N 2.9Å; D317-Q320 PolarHBondContact OD1-N 2.79Å; D317-L321 WeakPolarHBondContact O-CB 3.25Å; D317-L321 VanDerWaalsContact O-CG 3.25Å; D317-L321 WeakPolarHBondContact O-CG 3.49Å; D317-L321 PolarHBondContact O-N 3.23Å | ||
| 318 | S | 82.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 49.3 Ų | 49.3 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -23.7 | 177.3 | -170.6 | 0 | 0 | 0 | 0 | 113.4 | Q322 C398 | S318-Q322 VanDerWaalsContact O-CB 3.28Å; S318-Q322 WeakPolarHBondContact O-CB 3.43Å; S318-Q322 PolarHBondContact O-N 3.5Å; S318-C398 PolarHBondContact N-SG 3.29Å; S318-C398 VanDerWaalsContact N-SG 3.37Å |
| 319 | Q | 83.4 | Confident | 83.3 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 61% | 0.612 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -80.1 | -47.5 | 176.4 | -172 | -173.4 | -47.3 | 0 | 0 | 110 | D317 L321 Q322 E323 | D317-Q319 PolarHBondContact O-N 2.88Å; D317-Q319 WeakPolarHBondContact OD1-CA 3.37Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.48Å; D317-Q319 PolarHBondContact OD1-N 2.68Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; Q319-L321 PolarHBondContact O-N 2.96Å; Q319-Q322 WeakPolarHBondContact O-CB 3.48Å; Q319-Q322 PolarHBondContact O-N 2.84Å; Q319-Q322 VanDerWaalsContact O-N 3.09Å; Q319-E323 PolarHBondContact NE2-OE1 3.23Å; Q319-E323 WeakPolarHBondContact O-CG 3.23Å; Q319-E323 PolarHBondContact O-N 3.16Å |
| 320 | Q | 84.3 | Confident | 83.5 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.8 | -170.7 | -174.8 | 74.4 | 0 | 0 | 111.5 | F313 D317 Q322 E323 L324 | F313-Q320 VanDerWaalsContact CA-OE1 3.25Å; D317-Q320 HydrophobicContact CB-CB 3.8Å; D317-Q320 PolarHBondContact O-N 2.9Å; D317-Q320 PolarHBondContact OD1-N 2.79Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q320-Q322 PolarHBondContact O-N 2.71Å; Q320-E323 PolarHBondContact O-N 2.84Å; Q320-L324 HydrophobicContact CG-CD1 4.09Å; Q320-L324 HydrophobicContact CG-CG 4.46Å; Q320-L324 WeakPolarHBondContact O-CB 3.47Å; Q320-L324 VanDerWaalsContact O-CG 3.25Å; Q320-L324 WeakPolarHBondContact O-CG 3.34Å; Q320-L324 PolarHBondContact O-N 3.31Å |
| 321 | L | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 174.9 | -71.8 | 169.1 | 0 | 0 | 0 | 112.8 | F313 D317 Q319 K325 Y391 K394 I395 C398 | F313-L321 HydrophobicContact CD2-CD2 3.54Å; F313-L321 HydrophobicContact CE2-CD2 3.93Å; F313-L321 HydrophobicContact CG-CD2 4.22Å; D317-L321 WeakPolarHBondContact O-CB 3.25Å; D317-L321 VanDerWaalsContact O-CG 3.25Å; D317-L321 WeakPolarHBondContact O-CG 3.49Å; D317-L321 PolarHBondContact O-N 3.23Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; Q319-L321 PolarHBondContact O-N 2.96Å; L321-K325 WeakPolarHBondContact O-CB 3.21Å; L321-K325 PolarHBondContact O-N 3.19Å; L321-Y391 HydrophobicContact CD2-CD1 4Å; L321-K394 HydrophobicContact CD1-CB 3.88Å; L321-K394 HydrophobicContact CD2-CB 3.8Å; L321-K394 HydrophobicContact CG-CB 4.49Å; L321-I395 HydrophobicContact CB-CD1 4.43Å; L321-I395 HydrophobicContact CB-CG1 3.65Å; L321-C398 HydrophobicContact CD1-CB 3.98Å |
| 322 | Q | 86.2 | Confident | 84.5 | Confident | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 175.4 | -171.1 | 91.5 | 9.3 | 0 | 0 | 111 | S318 Q319 Q320 L324 K325 E326 | S318-Q322 VanDerWaalsContact O-CB 3.28Å; S318-Q322 WeakPolarHBondContact O-CB 3.43Å; S318-Q322 PolarHBondContact O-N 3.5Å; Q319-Q322 WeakPolarHBondContact O-CB 3.48Å; Q319-Q322 PolarHBondContact O-N 2.84Å; Q319-Q322 VanDerWaalsContact O-N 3.09Å; Q320-Q322 VanDerWaalsContact C-N 3.33Å; Q320-Q322 PolarHBondContact O-N 2.71Å; Q322-L324 PolarHBondContact O-N 3.49Å; Q322-K325 WeakPolarHBondContact O-CB 3.23Å; Q322-K325 PolarHBondContact O-N 2.87Å; Q322-E326 PolarHBondContact NE2-OE1 3.43Å; Q322-E326 WeakPolarHBondContact O-CG 3.44Å; Q322-E326 PolarHBondContact O-N 3.41Å |
| 323 | E | 85.5 | Confident | 85 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.2 | -73.1 | -177.2 | -146.5 | 0 | 0 | 112.3 | Q319 Q320 E326 R327 | Q319-E323 PolarHBondContact NE2-OE1 3.23Å; Q319-E323 WeakPolarHBondContact O-CG 3.23Å; Q319-E323 PolarHBondContact O-N 3.16Å; Q320-E323 PolarHBondContact O-N 2.84Å; E323-E326 PolarHBondContact O-N 3.19Å; E323-R327 WeakPolarHBondContact O-CB 3.45Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.39Å; E323-R327 PolarHBondContact O-N 3.44Å; E323-R327 IonicContact OE2-CZ 3.67Å; E323-R327 IonicContact OE2-NH2 3.78Å; E323-R327 PolarHBondContact OE2-NH2 3.06Å |
| 324 | L | 87.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 175.5 | -71.4 | 172.1 | 0 | 0 | 0 | 111.7 | F308 T311 F313 Q320 Q322 A328 Y391 | F308-L324 HydrophobicContact CE2-CD2 3.83Å; T311-L324 HydrophobicContact CG2-CD2 4.47Å; F313-L324 HydrophobicContact CB-CD1 3.52Å; F313-L324 HydrophobicContact CG-CD1 4.28Å; Q320-L324 HydrophobicContact CG-CD1 4.09Å; Q320-L324 HydrophobicContact CG-CG 4.46Å; Q320-L324 WeakPolarHBondContact O-CB 3.47Å; Q320-L324 VanDerWaalsContact O-CG 3.25Å; Q320-L324 WeakPolarHBondContact O-CG 3.34Å; Q320-L324 PolarHBondContact O-N 3.31Å; Q322-L324 PolarHBondContact O-N 3.49Å; L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.3Å; L324-Y391 HydrophobicContact CB-CD1 4.24Å; L324-Y391 HydrophobicContact CB-CD2 4.42Å; L324-Y391 HydrophobicContact CB-CE1 3.87Å; L324-Y391 HydrophobicContact CB-CE2 4.06Å; L324-Y391 HydrophobicContact CD1-CE1 3.96Å |
| 325 | K | 89.1 | Confident | 86 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 170.7 | -172.8 | -171.3 | 177.7 | -178.8 | 0 | 111.3 | L321 Q322 A328 L329 L388 E392 I395 | L321-K325 WeakPolarHBondContact O-CB 3.21Å; L321-K325 PolarHBondContact O-N 3.19Å; Q322-K325 WeakPolarHBondContact O-CB 3.23Å; Q322-K325 PolarHBondContact O-N 2.87Å; K325-A328 PolarHBondContact O-N 3.06Å; K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 3.4Å; K325-L388 HydrophobicContact CG-CD2 3.95Å; K325-E392 HydrophobicContact CD-CG 4.02Å; K325-E392 VanDerWaalsContact CE-CG 3.47Å; K325-E392 WeakPolarHBondContact CE-OE1 3.5Å; K325-E392 IonicContact NZ-OE1 2.72Å; K325-E392 PolarHBondContact NZ-OE1 3.03Å; K325-I395 HydrophobicContact CB-CD1 4.26Å; K325-I395 HydrophobicContact CD-CD1 3.98Å |
| 326 | E | 87.7 | Confident | 86.3 | Confident | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | -179.3 | -73.4 | 172.6 | -164.9 | 0 | 0 | 112 | Q322 E323 A328 L329 A330 | Q322-E326 PolarHBondContact NE2-OE1 3.43Å; Q322-E326 WeakPolarHBondContact O-CG 3.44Å; Q322-E326 PolarHBondContact O-N 3.41Å; E323-E326 PolarHBondContact O-N 3.19Å; E326-A328 PolarHBondContact O-N 2.88Å; E326-L329 PolarHBondContact O-N 3.37Å; E326-A330 PolarHBondContact O-N 3.47Å |
| 327 | R | 87.7 | Confident | 86.7 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 50% | 0.502 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 171 | -67.6 | 174.2 | -148 | -169 | 8.3 | 112.4 | F308 E323 A330 R331 | F308-R327 HydrophobicContact CD2-CB 4.43Å; F308-R327 HydrophobicContact CE2-CB 3.56Å; F308-R327 HydrophobicContact CE2-CG 4.5Å; F308-R327 HydrophobicContact CZ-CB 3.66Å; E323-R327 WeakPolarHBondContact O-CB 3.45Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.39Å; E323-R327 PolarHBondContact O-N 3.44Å; E323-R327 IonicContact OE2-CZ 3.67Å; E323-R327 IonicContact OE2-NH2 3.78Å; E323-R327 PolarHBondContact OE2-NH2 3.06Å; R327-A330 PolarHBondContact O-N 3.12Å; R327-R331 WeakPolarHBondContact O-CG 3.46Å; R327-R331 PolarHBondContact O-N 2.82Å |
| 328 | A | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.9 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F308 L324 K325 E326 V332 L384 L388 Y391 | F308-A328 HydrophobicContact CE1-CB 3.9Å; F308-A328 HydrophobicContact CZ-CB 3.86Å; L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.3Å; K325-A328 PolarHBondContact O-N 3.06Å; E326-A328 PolarHBondContact O-N 2.88Å; A328-V332 WeakPolarHBondContact O-CG2 3.43Å; A328-V332 PolarHBondContact O-N 3.47Å; A328-V332 VanDerWaalsContact O-N 3.16Å; A328-L384 HydrophobicContact CB-CD2 4.44Å; A328-L388 HydrophobicContact CB-CD2 3.61Å; A328-L388 HydrophobicContact CB-CG 3.9Å; A328-Y391 HydrophobicContact CB-CD2 4.45Å; A328-Y391 HydrophobicContact CB-CE2 4.31Å |
| 329 | L | 89 | Confident | 87.2 | Confident | 74 Ų | 74 | 62 Ų | 62 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 171.4 | -74.1 | 172.8 | 0 | 0 | 0 | 110.9 | K325 E326 R331 V332 E333 L388 | K325-L329 WeakPolarHBondContact O-CG 3.45Å; K325-L329 PolarHBondContact O-N 3.4Å; E326-L329 PolarHBondContact O-N 3.37Å; L329-R331 PolarHBondContact O-N 3.19Å; L329-V332 WeakPolarHBondContact O-CA 3.34Å; L329-V332 WeakPolarHBondContact O-CB 3.26Å; L329-V332 PolarHBondContact O-N 2.88Å; L329-E333 PolarHBondContact O-N 2.94Å; L329-L388 HydrophobicContact CD2-CD1 3.98Å; L329-L388 HydrophobicContact CD2-CD2 3.79Å; L329-L388 HydrophobicContact CG-CD2 3.72Å |
| 330 | A | 86.7 | Confident | 87.3 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | E326 R327 V332 E333 E334 | E326-A330 PolarHBondContact O-N 3.47Å; R327-A330 PolarHBondContact O-N 3.12Å; A330-V332 VanDerWaalsContact C-N 3.26Å; A330-V332 PolarHBondContact O-N 3.07Å; A330-E333 CarbonylContact O-C 3.59Å; A330-E333 WeakPolarHBondContact O-CA 3.38Å; A330-E333 PolarHBondContact O-N 2.86Å; A330-E334 WeakPolarHBondContact O-CG 3.47Å; A330-E334 PolarHBondContact O-N 3.22Å |
| 331 | R | 88.9 | Confident | 87.4 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 175.5 | -70.8 | -74 | 158 | 141.8 | -3 | 113.4 | E304 T305 F308 R327 L329 E334 V335 L384 | E304-R331 IonicContact OE1-CZ 3.84Å; E304-R331 IonicContact OE1-NH2 3.52Å; E304-R331 PolarHBondContact OE1-NH2 2.7Å; E304-R331 IonicContact OE2-CZ 3.54Å; E304-R331 IonicContact OE2-NH1 2.69Å; E304-R331 PolarHBondContact OE2-NH1 2.73Å; E304-R331 IonicContact OE2-NH2 2.69Å; E304-R331 PolarHBondContact OE2-NH2 2.62Å; T305-R331 HydrophobicContact CG2-CB 4.45Å; T305-R331 HydrophobicContact CG2-CG 4.36Å; T305-R331 PolarHBondContact OG1-NH1 3.24Å; F308-R331 HydrophobicContact CD1-CG 4.32Å; F308-R331 HydrophobicContact CE1-CG 4.5Å; R327-R331 WeakPolarHBondContact O-CG 3.46Å; R327-R331 PolarHBondContact O-N 2.82Å; L329-R331 PolarHBondContact O-N 3.19Å; R331-E334 IonicContact NE-OE2 3.12Å; R331-V335 WeakPolarHBondContact O-CG2 3.34Å; R331-V335 PolarHBondContact O-N 3.31Å; R331-L384 HydrophobicContact CB-CD1 3.91Å; R331-L384 HydrophobicContact CB-CD2 3.72Å |
| 332 | V | 88.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.3 | -33.7 | 172.9 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | A328 L329 A330 E334 L384 M385 L388 | A328-V332 WeakPolarHBondContact O-CG2 3.43Å; A328-V332 PolarHBondContact O-N 3.47Å; A328-V332 VanDerWaalsContact O-N 3.16Å; L329-V332 WeakPolarHBondContact O-CA 3.34Å; L329-V332 WeakPolarHBondContact O-CB 3.26Å; L329-V332 PolarHBondContact O-N 2.88Å; A330-V332 VanDerWaalsContact C-N 3.26Å; A330-V332 PolarHBondContact O-N 3.07Å; V332-E334 VanDerWaalsContact C-N 3.31Å; V332-L384 HydrophobicContact CG2-CB 3.68Å; V332-L384 HydrophobicContact CG2-CD1 4.09Å; V332-L384 HydrophobicContact CG2-CG 4.39Å; V332-M385 HydrophobicContact CG1-SD 4.29Å; V332-M385 HydrophobicContact CG2-SD 4.35Å; V332-L388 HydrophobicContact CG2-CD1 3.89Å |
| 333 | E | 87.6 | Confident | 87.3 | Confident | 160 Ų | 160 | 61.7 Ų | 61.7 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.3 | -24.7 | 173.1 | -68.2 | -174.9 | 172.2 | 0 | 0 | 112.8 | L329 A330 P336 | L329-E333 PolarHBondContact O-N 2.94Å; A330-E333 CarbonylContact O-C 3.59Å; A330-E333 WeakPolarHBondContact O-CA 3.38Å; A330-E333 PolarHBondContact O-N 2.86Å; E333-P336 WeakPolarHBondContact O-CD 3.41Å |
| 334 | E | 89.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.7 | -28.4 | 174 | -71.6 | 165.6 | -143.8 | 0 | 0 | 113.7 | W301 A330 R331 V332 E337 K338 | W301-E334 HydrophobicContact CZ2-CB 3.94Å; W301-E334 PolarHBondContact NE1-OE2 3.5Å; A330-E334 WeakPolarHBondContact O-CG 3.47Å; A330-E334 PolarHBondContact O-N 3.22Å; R331-E334 IonicContact NE-OE2 3.12Å; V332-E334 VanDerWaalsContact C-N 3.31Å; E334-E337 WeakPolarHBondContact O-CB 3.44Å; E334-E337 PolarHBondContact O-N 3.27Å; E334-K338 PolarHBondContact O-N 2.94Å; E334-K338 VanDerWaalsContact O-N 3.09Å |
| 335 | V | 87.6 | Confident | 87 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -50.7 | -44.2 | -178.1 | 165.9 | 0 | 0 | 0 | 0 | 113.7 | W301 R331 E337 K338 V339 R381 L384 | W301-V335 HydrophobicContact CH2-CG2 3.91Å; R331-V335 WeakPolarHBondContact O-CG2 3.34Å; R331-V335 PolarHBondContact O-N 3.31Å; V335-E337 VanDerWaalsContact C-N 3.27Å; V335-E337 PolarHBondContact O-N 2.7Å; V335-K338 PolarHBondContact O-N 3.4Å; V335-V339 HydrophobicContact CG1-CG2 4.27Å; V335-V339 WeakPolarHBondContact O-CG2 3.44Å; V335-V339 PolarHBondContact O-N 3.11Å; V335-R381 HydrophobicContact CG1-CB 4.46Å; V335-R381 HydrophobicContact CG1-CG 4.18Å; V335-R381 HydrophobicContact CG2-CB 4.48Å; V335-L384 HydrophobicContact CG2-CD1 4.4Å |
| 336 | P | 86.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -22.2 | 177.2 | -22.3 | 34.9 | 0 | 0 | 0 | 115.3 | E333 R340 | E333-P336 WeakPolarHBondContact O-CD 3.41Å; P336-R340 PolarHBondContact O-NE 2.91Å |
| 337 | E | 86.5 | Confident | 86.4 | Confident | 85 Ų | 85 | 60 Ų | 60 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.9 | -47 | 170 | -173 | 62.1 | -106.4 | 0 | 0 | 109.9 | E334 V335 V339 R340 Q341 | E334-E337 WeakPolarHBondContact O-CB 3.44Å; E334-E337 PolarHBondContact O-N 3.27Å; V335-E337 VanDerWaalsContact C-N 3.27Å; V335-E337 PolarHBondContact O-N 2.7Å; E337-V339 VanDerWaalsContact C-N 3.27Å; E337-V339 PolarHBondContact O-N 3.42Å; E337-R340 VanDerWaalsContact CD-NH2 3.26Å; E337-R340 CarbonylContact O-C 3.6Å; E337-R340 WeakPolarHBondContact O-CA 3.22Å; E337-R340 WeakPolarHBondContact O-CB 3.37Å; E337-R340 PolarHBondContact O-N 3.39Å; E337-R340 IonicContact OE1-CZ 2.7Å; E337-R340 IonicContact OE1-NH1 3.42Å; E337-R340 PolarHBondContact OE1-NH1 3.25Å; E337-R340 IonicContact OE1-NH2 3.47Å; E337-R340 IonicContact OE2-CZ 3.59Å; E337-R340 VanDerWaalsContact OE2-CZ 3.28Å; E337-R340 IonicContact OE2-NH1 3.55Å; E337-R340 PolarHBondContact OE2-NH1 3.3Å; E337-R340 IonicContact OE2-NH2 3.07Å; E337-R340 PolarHBondContact OE2-NH2 3.3Å; E337-Q341 PolarHBondContact O-N 3.46Å |
| 338 | K | 88.7 | Confident | 85.8 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 178.4 | -59.9 | -54.5 | -173.1 | 165.3 | 0 | 113.5 | E297 L298 W301 E334 V335 L342 L377 | E297-K338 IonicContact OE1-NZ 3.23Å; E297-K338 PolarHBondContact OE1-NZ 2.78Å; L298-K338 HydrophobicContact CD2-CB 4.34Å; L298-K338 HydrophobicContact CD2-CD 4.14Å; W301-K338 VanDerWaalsContact CD1-CE 3.47Å; W301-K338 HydrophobicContact CD2-CD 4.15Å; W301-K338 HydrophobicContact CD2-CG 3.71Å; W301-K338 HydrophobicContact CE3-CB 4.4Å; W301-K338 HydrophobicContact CE3-CG 3.91Å; W301-K338 HydrophobicContact CG-CD 4.14Å; W301-K338 VanDerWaalsContact CG-CE 3.49Å; W301-K338 HydrophobicContact CG-CG 4.22Å; W301-K338 HydrophobicContact CH2-CG 4.25Å; W301-K338 HydrophobicContact CZ2-CG 4.04Å; W301-K338 HydrophobicContact CZ3-CB 4.4Å; W301-K338 HydrophobicContact CZ3-CG 4.19Å; E334-K338 PolarHBondContact O-N 2.94Å; E334-K338 VanDerWaalsContact O-N 3.09Å; V335-K338 PolarHBondContact O-N 3.4Å; K338-L342 WeakPolarHBondContact O-CB 3.47Å; K338-L342 PolarHBondContact O-N 3.08Å; K338-L342 VanDerWaalsContact O-N 3.07Å; K338-L377 HydrophobicContact CB-CD1 4.15Å; K338-L377 HydrophobicContact CB-CD2 4.45Å |
| 339 | V | 86.9 | Confident | 85.2 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 166.7 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | V335 E337 L342 E343 L377 | V335-V339 HydrophobicContact CG1-CG2 4.27Å; V335-V339 WeakPolarHBondContact O-CG2 3.44Å; V335-V339 PolarHBondContact O-N 3.11Å; E337-V339 VanDerWaalsContact C-N 3.27Å; E337-V339 PolarHBondContact O-N 3.42Å; V339-L342 PolarHBondContact O-N 3.25Å; V339-E343 WeakPolarHBondContact O-CG 3.29Å; V339-E343 PolarHBondContact O-N 3.13Å; V339-L377 HydrophobicContact CG2-CD2 3.72Å; V339-L377 HydrophobicContact CG2-CG 4.49Å |
| 340 | R | 86.4 | Confident | 84.5 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 48% | 0.475 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.9 | -38.8 | 179.1 | -80.1 | -175 | -71.5 | 102.6 | -0.7 | 113.2 | P336 E337 L342 E343 A344 | P336-R340 PolarHBondContact O-NE 2.91Å; E337-R340 VanDerWaalsContact CD-NH2 3.26Å; E337-R340 CarbonylContact O-C 3.6Å; E337-R340 WeakPolarHBondContact O-CA 3.22Å; E337-R340 WeakPolarHBondContact O-CB 3.37Å; E337-R340 PolarHBondContact O-N 3.39Å; E337-R340 IonicContact OE1-CZ 2.7Å; E337-R340 IonicContact OE1-NH1 3.42Å; E337-R340 PolarHBondContact OE1-NH1 3.25Å; E337-R340 IonicContact OE1-NH2 3.47Å; E337-R340 IonicContact OE2-CZ 3.59Å; E337-R340 VanDerWaalsContact OE2-CZ 3.28Å; E337-R340 IonicContact OE2-NH1 3.55Å; E337-R340 PolarHBondContact OE2-NH1 3.3Å; E337-R340 IonicContact OE2-NH2 3.07Å; E337-R340 PolarHBondContact OE2-NH2 3.3Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 3Å; R340-E343 PolarHBondContact O-N 2.93Å; R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 3.42Å |
| 341 | Q | 85.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 168.9 | -79.1 | -174.7 | -32.1 | 0 | 0 | 110.9 | E297 L298 E337 E343 A344 L345 | E297-Q341 VanDerWaalsContact CD-NE2 3.34Å; E297-Q341 PolarHBondContact OE1-NE2 3.47Å; E297-Q341 PolarHBondContact OE1-OE1 3.38Å; E297-Q341 PolarHBondContact OE2-NE2 2.78Å; L298-Q341 HydrophobicContact CD1-CB 4.37Å; L298-Q341 HydrophobicContact CD2-CB 3.98Å; L298-Q341 HydrophobicContact CG-CB 4.4Å; E337-Q341 PolarHBondContact O-N 3.46Å; Q341-E343 PolarHBondContact O-N 3.25Å; Q341-A344 WeakPolarHBondContact O-CB 3.35Å; Q341-A344 PolarHBondContact O-N 2.98Å; Q341-L345 WeakPolarHBondContact O-CB 3.27Å; Q341-L345 PolarHBondContact O-N 3.36Å |
| 342 | L | 86.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 176.4 | -178.5 | 61.1 | 0 | 0 | 0 | 113.1 | L298 K338 V339 R340 L345 V346 A370 L373 K374 L377 | L298-L342 HydrophobicContact CD1-CB 4.15Å; L298-L342 HydrophobicContact CD1-CD1 4.25Å; K338-L342 WeakPolarHBondContact O-CB 3.47Å; K338-L342 PolarHBondContact O-N 3.08Å; K338-L342 VanDerWaalsContact O-N 3.07Å; V339-L342 PolarHBondContact O-N 3.25Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 3Å; L342-L345 HydrophobicContact CD1-CD2 4.37Å; L342-V346 HydrophobicContact CD1-CG2 4.49Å; L342-V346 WeakPolarHBondContact O-CB 3.38Å; L342-V346 WeakPolarHBondContact O-CG2 3.46Å; L342-V346 PolarHBondContact O-N 3.49Å; L342-A370 HydrophobicContact CD1-CB 4.42Å; L342-L373 HydrophobicContact CD1-CB 3.99Å; L342-L373 HydrophobicContact CD1-CD1 4.24Å; L342-K374 HydrophobicContact CD2-CB 3.82Å; L342-K374 HydrophobicContact CD2-CG 4.15Å; L342-L377 HydrophobicContact CD2-CD2 4.15Å |
| 343 | E | 84 | Confident | 81.3 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 172.5 | -74.6 | 179.7 | 161.8 | 0 | 0 | 112.2 | V339 R340 Q341 V346 L347 | V339-E343 WeakPolarHBondContact O-CG 3.29Å; V339-E343 PolarHBondContact O-N 3.13Å; R340-E343 PolarHBondContact O-N 2.93Å; Q341-E343 PolarHBondContact O-N 3.25Å; E343-V346 PolarHBondContact O-N 2.96Å; E343-L347 WeakPolarHBondContact O-CG 3.29Å; E343-L347 PolarHBondContact O-N 3.22Å |
| 344 | A | 82.6 | Confident | 80.1 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.8 | -52.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R340 Q341 V346 L347 T348 | R340-A344 WeakPolarHBondContact O-CB 3.41Å; R340-A344 PolarHBondContact O-N 3.42Å; Q341-A344 WeakPolarHBondContact O-CB 3.35Å; Q341-A344 PolarHBondContact O-N 2.98Å; A344-V346 VanDerWaalsContact C-N 3.26Å; A344-V346 PolarHBondContact O-N 3.17Å; A344-L347 CarbonylContact O-C 3.15Å; A344-L347 WeakPolarHBondContact O-CA 3.22Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.17Å; A344-T348 PolarHBondContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.46Å |
| 345 | L | 83.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.2 | -42.7 | 173.9 | 177.9 | 68.9 | 0 | 0 | 0 | 111.5 | A291 E294 L295 L298 Q341 L342 L347 T348 L349 L373 | A291-L345 HydrophobicContact CB-CD1 4.42Å; E294-L345 HydrophobicContact CB-CD1 3.99Å; E294-L345 WeakPolarHBondContact OE2-CA 3.39Å; L295-L345 HydrophobicContact CB-CD2 4.42Å; L295-L345 HydrophobicContact CD1-CD2 3.71Å; L298-L345 HydrophobicContact CD1-CD2 3.98Å; Q341-L345 WeakPolarHBondContact O-CB 3.27Å; Q341-L345 PolarHBondContact O-N 3.36Å; L342-L345 HydrophobicContact CD1-CD2 4.37Å; L345-L347 VanDerWaalsContact C-N 3.31Å; L345-L347 PolarHBondContact O-N 3.19Å; L345-T348 PolarHBondContact O-N 3.36Å; L345-L349 HydrophobicContact CD1-CD1 4.25Å; L345-L349 HydrophobicContact CD1-CG 4.23Å; L345-L349 HydrophobicContact CD2-CD1 4.5Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.34Å; L345-L349 VanDerWaalsContact O-CB 3.28Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 WeakPolarHBondContact O-CG 3.3Å; L345-L349 PolarHBondContact O-N 3.45Å; L345-L373 HydrophobicContact CD2-CD1 4.25Å |
| 346 | V | 82.7 | Confident | 76.7 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -30.5 | 176.4 | 164.7 | 0 | 0 | 0 | 0 | 112.5 | L342 E343 A344 Q350 A370 | L342-V346 HydrophobicContact CD1-CG2 4.49Å; L342-V346 WeakPolarHBondContact O-CB 3.38Å; L342-V346 WeakPolarHBondContact O-CG2 3.46Å; L342-V346 PolarHBondContact O-N 3.49Å; E343-V346 PolarHBondContact O-N 2.96Å; A344-V346 VanDerWaalsContact C-N 3.26Å; A344-V346 PolarHBondContact O-N 3.17Å; V346-Q350 WeakPolarHBondContact O-CB 3.48Å; V346-Q350 VanDerWaalsContact O-CG 3.22Å; V346-Q350 WeakPolarHBondContact O-CG 3.48Å; V346-Q350 PolarHBondContact O-N 3.15Å; V346-A370 HydrophobicContact CG2-CB 4.21Å |
| 347 | L | 81.1 | Confident | 75 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.8 | -40.4 | 172 | -72.4 | 167.1 | 0 | 0 | 0 | 112.1 | E343 A344 L345 Q350 Q351 | E343-L347 WeakPolarHBondContact O-CG 3.29Å; E343-L347 PolarHBondContact O-N 3.22Å; A344-L347 CarbonylContact O-C 3.15Å; A344-L347 WeakPolarHBondContact O-CA 3.22Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.17Å; L345-L347 VanDerWaalsContact C-N 3.31Å; L345-L347 PolarHBondContact O-N 3.19Å; L347-Q350 WeakPolarHBondContact O-CB 3.37Å; L347-Q350 PolarHBondContact O-N 2.74Å; L347-Q350 VanDerWaalsContact O-N 3.16Å; L347-Q351 WeakPolarHBondContact O-CG 3.35Å; L347-Q351 PolarHBondContact O-N 3Å |
| 348 | T | 75.7 | Confident | 73.5 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 110.1 | A291 A344 L345 Q350 Q351 L352 | A291-T348 HydrophobicContact CB-CG2 4.03Å; A344-T348 PolarHBondContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.46Å; L345-T348 PolarHBondContact O-N 3.36Å; T348-Q350 VanDerWaalsContact C-N 3.29Å; T348-Q350 PolarHBondContact O-N 2.97Å; T348-Q351 WeakPolarHBondContact O-CB 3.32Å; T348-Q351 PolarHBondContact O-N 3.11Å; T348-Q351 VanDerWaalsContact O-N 3.12Å; T348-L352 HydrophobicContact CG2-CD1 4.42Å; T348-L352 WeakPolarHBondContact O-CG 3.43Å; T348-L352 PolarHBondContact O-N 3.38Å |
| 349 | L | 75.5 | Confident | 72.1 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -27.6 | 173.7 | -69.7 | 175.1 | 0 | 0 | 0 | 113.3 | L345 L352 D353 L366 A370 | L345-L349 HydrophobicContact CD1-CD1 4.25Å; L345-L349 HydrophobicContact CD1-CG 4.23Å; L345-L349 HydrophobicContact CD2-CD1 4.5Å; L345-L349 HydrophobicContact CG-CD1 3.97Å; L345-L349 HydrophobicContact CG-CG 4.34Å; L345-L349 VanDerWaalsContact O-CB 3.28Å; L345-L349 WeakPolarHBondContact O-CB 3.48Å; L345-L349 WeakPolarHBondContact O-CG 3.3Å; L345-L349 PolarHBondContact O-N 3.45Å; L349-L352 HydrophobicContact CD2-CD1 4.35Å; L349-D353 WeakPolarHBondContact O-CB 3.38Å; L349-D353 PolarHBondContact O-N 3.26Å; L349-L366 HydrophobicContact CD1-CB 4.28Å; L349-L366 HydrophobicContact CD2-CB 3.64Å; L349-L366 HydrophobicContact CD2-CD1 3.86Å; L349-L366 HydrophobicContact CD2-CG 4.29Å; L349-A370 HydrophobicContact CD1-CB 3.87Å |
| 350 | Q | 73.2 | Confident | 70.9 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -73.9 | -34.6 | 170.6 | -81.3 | 172.1 | 42.3 | 0 | 0 | 112.7 | V346 L347 T348 D353 | V346-Q350 WeakPolarHBondContact O-CB 3.48Å; V346-Q350 VanDerWaalsContact O-CG 3.22Å; V346-Q350 WeakPolarHBondContact O-CG 3.48Å; V346-Q350 PolarHBondContact O-N 3.15Å; L347-Q350 WeakPolarHBondContact O-CB 3.37Å; L347-Q350 PolarHBondContact O-N 2.74Å; L347-Q350 VanDerWaalsContact O-N 3.16Å; T348-Q350 VanDerWaalsContact C-N 3.29Å; T348-Q350 PolarHBondContact O-N 2.97Å; Q350-D353 WeakPolarHBondContact O-CB 3.43Å; Q350-D353 PolarHBondContact O-N 3.27Å |
| 351 | Q | 68.6 | Low | 69.9 | Low | 130 Ų | 130 | 62.2 Ų | 62.2 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67 | -45.1 | 171.6 | -67.5 | 172.1 | 54.8 | 0 | 0 | 110.1 | L347 T348 D353 T354 | L347-Q351 WeakPolarHBondContact O-CG 3.35Å; L347-Q351 PolarHBondContact O-N 3Å; T348-Q351 WeakPolarHBondContact O-CB 3.32Å; T348-Q351 PolarHBondContact O-N 3.11Å; T348-Q351 VanDerWaalsContact O-N 3.12Å; Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.3Å; Q351-T354 PolarHBondContact O-N 3Å; Q351-T354 PolarHBondContact O-OG1 2.98Å |
| 352 | L | 65.4 | Low | 68.9 | Low | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -26.2 | 171.7 | -64.4 | 176.2 | 0 | 0 | 0 | 113.2 | A291 T348 L349 T354 N355 I358 | A291-L352 HydrophobicContact CB-CD1 3.85Å; T348-L352 HydrophobicContact CG2-CD1 4.42Å; T348-L352 WeakPolarHBondContact O-CG 3.43Å; T348-L352 PolarHBondContact O-N 3.38Å; L349-L352 HydrophobicContact CD2-CD1 4.35Å; L352-T354 PolarHBondContact O-N 2.81Å; L352-N355 PolarHBondContact O-N 3.09Å; L352-N355 VanDerWaalsContact O-N 3.08Å; L352-I358 HydrophobicContact CB-CD1 4.19Å; L352-I358 HydrophobicContact CD1-CD1 4.01Å; L352-I358 HydrophobicContact CD2-CD1 4.01Å; L352-I358 HydrophobicContact CG-CD1 4.29Å |
| 353 | D | 64.1 | Low | 68 | Low | 60 Ų | 60 | 63.7 Ų | 63.7 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 173.3 | -155 | -4.1 | 0 | 0 | 0 | 111.7 | L349 Q350 Q351 K363 K367 | L349-D353 WeakPolarHBondContact O-CB 3.38Å; L349-D353 PolarHBondContact O-N 3.26Å; Q350-D353 WeakPolarHBondContact O-CB 3.43Å; Q350-D353 PolarHBondContact O-N 3.27Å; Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.3Å; D353-K363 PolarHBondContact O-NZ 3.23Å; D353-K363 WeakPolarHBondContact OD1-CE 3.22Å; D353-K363 IonicContact OD1-NZ 2.64Å; D353-K363 PolarHBondContact OD1-NZ 3.08Å; D353-K367 IonicContact OD1-NZ 3.45Å; D353-K367 PolarHBondContact OD1-NZ 2.96Å; D353-K367 WeakPolarHBondContact OD2-CE 3.36Å; D353-K367 IonicContact OD2-NZ 3.23Å; D353-K367 PolarHBondContact OD2-NZ 3.22Å |
| 354 | T | 61.8 | Low | 67.4 | Low | 112 Ų | 112 | 62.9 Ų | 62.9 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.9 | -26.4 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 113 | Q351 L352 G356 | Q351-T354 PolarHBondContact O-N 3Å; Q351-T354 PolarHBondContact O-OG1 2.98Å; L352-T354 PolarHBondContact O-N 2.81Å; T354-G356 PolarHBondContact O-N 3.48Å |
| 355 | N | 53.3 | Low | 66.9 | Low | 48 Ų | 48 | 63.5 Ų | 63.5 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | trans | -85.2 | 95.1 | 178.8 | -71.3 | -30.5 | 0 | 0 | 0 | 110.7 | L352 N357 | L352-N355 PolarHBondContact O-N 3.09Å; L352-N355 VanDerWaalsContact O-N 3.08Å; N355-N357 PolarHBondContact O-N 3.45Å | ||
| 356 | G | 52.2 | Low | 66.4 | Low | 49 Ų | 49 | 64 Ų | 64 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | T354 | T354-G356 PolarHBondContact O-N 3.48Š|
| 357 | N | 51 | Low | 66.1 | Low | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -24.7 | -170.1 | -144.5 | 0.9 | 0 | 0 | 0 | 112.2 | H212 K216 L284 N355 | H212-N357 PolarHBondContact CE1-ND2 3.33Å; H212-N357 VanDerWaalsContact CE1-ND2 3.31Å; K216-N357 WeakPolarHBondContact CD-OD1 3.38Å; K216-N357 WeakPolarHBondContact CE-OD1 3.26Å; K216-N357 PolarHBondContact NZ-OD1 3Å; L284-N357 WeakPolarHBondContact CD1-ND2 3.19Å; N355-N357 PolarHBondContact O-N 3.45Å |
| 358 | I | 54.7 | Low | 66.1 | Low | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -85.9 | 145.3 | 168.9 | -64.3 | 173.6 | 0 | 0 | 0 | 108.8 | D288 L352 E360 V362 K363 | D288-I358 WeakPolarHBondContact OD1-CD1 3.4Å; L352-I358 HydrophobicContact CB-CD1 4.19Å; L352-I358 HydrophobicContact CD1-CD1 4.01Å; L352-I358 HydrophobicContact CD2-CD1 4.01Å; L352-I358 HydrophobicContact CG-CD1 4.29Å; I358-E360 PolarHBondContact O-N 3.42Å; I358-V362 HydrophobicContact CG2-CB 3.79Å; I358-V362 HydrophobicContact CG2-CG1 3.76Å; I358-K363 HydrophobicContact CG2-CB 4.17Å |
| 359 | Q | 58.8 | Low | 66.3 | Low | 143 Ų | 143 | 65.9 Ų | 65.9 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | trans | -62.3 | 136.2 | 175.4 | -67 | -171.9 | 5.2 | 0 | 0 | 110.7 | A361 V362 K363 | Q359-A361 PolarHBondContact O-N 2.75Å; Q359-V362 HydrophobicContact CB-CB 4.45Å; Q359-V362 HydrophobicContact CB-CG2 4.19Å; Q359-V362 PolarHBondContact O-N 2.97Å; Q359-K363 WeakPolarHBondContact O-CB 3.42Å; Q359-K363 PolarHBondContact O-N 3.33Å | ||
| 360 | E | 63.1 | Low | 66.6 | Low | 106 Ų | 106 | 65.5 Ų | 65.5 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -26.3 | 180 | -160.1 | 64.5 | -140.3 | 0 | 0 | 112.3 | I358 K363 M364 | I358-E360 PolarHBondContact O-N 3.42Å; E360-K363 VanDerWaalsContact OE1-CE 3.22Å; E360-K363 WeakPolarHBondContact OE1-CE 3.48Å; E360-K363 IonicContact OE1-NZ 3.6Å; E360-K363 IonicContact OE2-NZ 2.73Å; E360-M364 VanDerWaalsContact O-CB 3.25Å; E360-M364 WeakPolarHBondContact O-CB 3.39Å; E360-M364 VanDerWaalsContact O-CG 3.27Å; E360-M364 WeakPolarHBondContact O-CG 3.37Å; E360-M364 PolarHBondContact O-N 3.06Å |
| 361 | A | 63.7 | Low | 67 | Low | 71 Ų | 71 | 63.3 Ų | 63.3 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q359 S365 | Q359-A361 PolarHBondContact O-N 2.75Å; A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.12Å |
| 362 | V | 65.1 | Low | 67.7 | Low | 57 Ų | 57 | 63.1 Ų | 63.1 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | I358 Q359 M364 S365 L366 | I358-V362 HydrophobicContact CG2-CB 3.79Å; I358-V362 HydrophobicContact CG2-CG1 3.76Å; Q359-V362 HydrophobicContact CB-CB 4.45Å; Q359-V362 HydrophobicContact CB-CG2 4.19Å; Q359-V362 PolarHBondContact O-N 2.97Å; V362-M364 PolarHBondContact O-N 3.35Å; V362-S365 CarbonylContact O-C 3.56Å; V362-S365 WeakPolarHBondContact O-CA 3.27Å; V362-S365 VanDerWaalsContact O-CB 3.28Å; V362-S365 WeakPolarHBondContact O-CB 3.44Å; V362-S365 PolarHBondContact O-N 3.45Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 WeakPolarHBondContact O-CG 3.3Å; V362-L366 PolarHBondContact O-N 3.29Å |
| 363 | K | 67.1 | Low | 68.6 | Low | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 175.9 | 173.7 | 174.9 | 160.1 | 176 | 0 | 112.8 | D353 I358 Q359 E360 K367 | D353-K363 PolarHBondContact O-NZ 3.23Å; D353-K363 WeakPolarHBondContact OD1-CE 3.22Å; D353-K363 IonicContact OD1-NZ 2.64Å; D353-K363 PolarHBondContact OD1-NZ 3.08Å; I358-K363 HydrophobicContact CG2-CB 4.17Å; Q359-K363 WeakPolarHBondContact O-CB 3.42Å; Q359-K363 PolarHBondContact O-N 3.33Å; E360-K363 VanDerWaalsContact OE1-CE 3.22Å; E360-K363 WeakPolarHBondContact OE1-CE 3.48Å; E360-K363 IonicContact OE1-NZ 3.6Å; E360-K363 IonicContact OE2-NZ 2.73Å; K363-K367 WeakPolarHBondContact O-CB 3.31Å; K363-K367 WeakPolarHBondContact O-CG 3.38Å; K363-K367 PolarHBondContact O-N 2.9Å; K363-K367 VanDerWaalsContact O-N 3.11Å |
| 364 | M | 72.7 | Confident | 69.6 | Low | 87 Ų | 87 | 66.2 Ų | 66.2 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 170.3 | -77.3 | -62.9 | -56.7 | 0 | 0 | 112.4 | E360 V362 N368 | E360-M364 VanDerWaalsContact O-CB 3.25Å; E360-M364 WeakPolarHBondContact O-CB 3.39Å; E360-M364 VanDerWaalsContact O-CG 3.27Å; E360-M364 WeakPolarHBondContact O-CG 3.37Å; E360-M364 PolarHBondContact O-N 3.06Å; V362-M364 PolarHBondContact O-N 3.35Å; M364-N368 VanDerWaalsContact O-CB 3.29Å; M364-N368 WeakPolarHBondContact O-CB 3.49Å; M364-N368 PolarHBondContact O-N 3.49Å; M364-N368 PolarHBondContact O-ND2 2.68Å |
| 365 | S | 72.8 | Confident | 70.8 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -55.2 | 172.9 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | A361 V362 K367 N368 Q369 | A361-S365 WeakPolarHBondContact O-CB 3.48Å; A361-S365 PolarHBondContact O-N 3.12Å; V362-S365 CarbonylContact O-C 3.56Å; V362-S365 WeakPolarHBondContact O-CA 3.27Å; V362-S365 VanDerWaalsContact O-CB 3.28Å; V362-S365 WeakPolarHBondContact O-CB 3.44Å; V362-S365 PolarHBondContact O-N 3.45Å; S365-K367 VanDerWaalsContact C-N 3.33Å; S365-K367 PolarHBondContact O-N 3.34Å; S365-N368 CarbonylContact O-C 3.59Å; S365-N368 WeakPolarHBondContact O-CB 3.29Å; S365-N368 PolarHBondContact O-N 2.98Å; S365-Q369 WeakPolarHBondContact O-CB 3.36Å; S365-Q369 VanDerWaalsContact O-CG 3.3Å; S365-Q369 WeakPolarHBondContact O-CG 3.41Å; S365-Q369 PolarHBondContact O-N 2.93Å; S365-Q369 PolarHBondContact O-OE1 3.35Å; S365-Q369 PolarHBondContact OG-OE1 2.83Å |
| 366 | L | 71.4 | Confident | 72.4 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | 179.9 | -66.2 | 170.9 | 0 | 0 | 0 | 112.1 | L295 L349 V362 Q369 A370 | L295-L366 HydrophobicContact CD2-CD2 3.86Å; L349-L366 HydrophobicContact CD1-CB 4.28Å; L349-L366 HydrophobicContact CD2-CB 3.64Å; L349-L366 HydrophobicContact CD2-CD1 3.86Å; L349-L366 HydrophobicContact CD2-CG 4.29Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 WeakPolarHBondContact O-CG 3.3Å; V362-L366 PolarHBondContact O-N 3.29Å; L366-Q369 PolarHBondContact O-N 2.74Å; L366-A370 WeakPolarHBondContact O-CB 3.2Å; L366-A370 PolarHBondContact O-N 3.4Å |
| 367 | K | 77.8 | Confident | 74.1 | Confident | 68 Ų | 68 | 62 Ų | 62 | 30% | 0.296 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 172.8 | -77.7 | 177.8 | 175.1 | -176.8 | 0 | 113 | D353 K363 S365 A371 | D353-K367 IonicContact OD1-NZ 3.45Å; D353-K367 PolarHBondContact OD1-NZ 2.96Å; D353-K367 WeakPolarHBondContact OD2-CE 3.36Å; D353-K367 IonicContact OD2-NZ 3.23Å; D353-K367 PolarHBondContact OD2-NZ 3.22Å; K363-K367 WeakPolarHBondContact O-CB 3.31Å; K363-K367 WeakPolarHBondContact O-CG 3.38Å; K363-K367 PolarHBondContact O-N 2.9Å; K363-K367 VanDerWaalsContact O-N 3.11Å; S365-K367 VanDerWaalsContact C-N 3.33Å; S365-K367 PolarHBondContact O-N 3.34Å; K367-A371 WeakPolarHBondContact O-CB 3.22Å; K367-A371 PolarHBondContact O-N 2.9Å |
| 368 | N | 80 | Confident | 75.7 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 176.4 | -71.1 | -17 | 0 | 0 | 0 | 111 | M364 S365 A371 E372 | M364-N368 VanDerWaalsContact O-CB 3.29Å; M364-N368 WeakPolarHBondContact O-CB 3.49Å; M364-N368 PolarHBondContact O-N 3.49Å; M364-N368 PolarHBondContact O-ND2 2.68Å; S365-N368 CarbonylContact O-C 3.59Å; S365-N368 WeakPolarHBondContact O-CB 3.29Å; S365-N368 PolarHBondContact O-N 2.98Å; N368-A371 CarbonylContact O-C 3.57Å; N368-A371 PolarHBondContact O-N 2.89Å; N368-E372 WeakPolarHBondContact O-CB 3.16Å; N368-E372 PolarHBondContact O-N 3.12Å |
| 369 | Q | 80.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.6 | -69.9 | 166.3 | -82.4 | 0 | 0 | 110.9 | L295 S365 L366 A371 E372 L373 | L295-Q369 HydrophobicContact CD1-CB 4.04Å; L295-Q369 HydrophobicContact CD2-CB 4.32Å; S365-Q369 WeakPolarHBondContact O-CB 3.36Å; S365-Q369 VanDerWaalsContact O-CG 3.3Å; S365-Q369 WeakPolarHBondContact O-CG 3.41Å; S365-Q369 PolarHBondContact O-N 2.93Å; S365-Q369 PolarHBondContact O-OE1 3.35Å; S365-Q369 PolarHBondContact OG-OE1 2.83Å; L366-Q369 PolarHBondContact O-N 2.74Å; Q369-A371 PolarHBondContact O-N 3.49Å; Q369-E372 PolarHBondContact O-N 3.36Å; Q369-L373 WeakPolarHBondContact O-CB 3.38Å; Q369-L373 VanDerWaalsContact O-CG 3.28Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 2.92Å |
| 370 | A | 80.8 | Confident | 78.5 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L342 V346 L349 L366 K374 | L342-A370 HydrophobicContact CD1-CB 4.42Å; V346-A370 HydrophobicContact CG2-CB 4.21Å; L349-A370 HydrophobicContact CD1-CB 3.87Å; L366-A370 WeakPolarHBondContact O-CB 3.2Å; L366-A370 PolarHBondContact O-N 3.4Å; A370-K374 WeakPolarHBondContact O-CB 3.33Å; A370-K374 PolarHBondContact O-N 3.43Å |
| 371 | A | 82.4 | Confident | 79.6 | Confident | 61 Ų | 61 | 63 Ų | 63 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K367 N368 Q369 K374 S375 | K367-A371 WeakPolarHBondContact O-CB 3.22Å; K367-A371 PolarHBondContact O-N 2.9Å; N368-A371 CarbonylContact O-C 3.57Å; N368-A371 PolarHBondContact O-N 2.89Å; Q369-A371 PolarHBondContact O-N 3.49Å; A371-K374 PolarHBondContact O-N 3.19Å; A371-S375 PolarHBondContact O-N 3.1Å; A371-S375 VanDerWaalsContact O-N 3.13Å |
| 372 | E | 82.9 | Confident | 80.7 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.4 | -42.7 | 175.6 | -177.4 | 153.3 | -146.1 | 0 | 0 | 111.8 | N368 Q369 K374 S375 R376 | N368-E372 WeakPolarHBondContact O-CB 3.16Å; N368-E372 PolarHBondContact O-N 3.12Å; Q369-E372 PolarHBondContact O-N 3.36Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 2.92Å; E372-S375 CarbonylContact O-C 3.58Å; E372-S375 WeakPolarHBondContact O-CA 3.33Å; E372-S375 WeakPolarHBondContact O-CB 3.28Å; E372-S375 PolarHBondContact O-N 2.92Å; E372-R376 PolarHBondContact O-N 3.42Å |
| 373 | L | 85.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.2 | -47 | 167.5 | -78.6 | 176.5 | 0 | 0 | 0 | 111 | L295 L298 L299 L302 L342 L345 Q369 S375 R376 L377 | L295-L373 HydrophobicContact CD1-CD1 3.52Å; L295-L373 HydrophobicContact CG-CD1 4.38Å; L298-L373 HydrophobicContact CB-CD1 3.89Å; L298-L373 HydrophobicContact CB-CD2 4.07Å; L298-L373 HydrophobicContact CD1-CD1 4.2Å; L299-L373 HydrophobicContact CD2-CD2 3.66Å; L299-L373 HydrophobicContact CD2-CG 4.4Å; L299-L373 HydrophobicContact CG-CD2 3.93Å; L302-L373 HydrophobicContact CD1-CD2 3.35Å; L342-L373 HydrophobicContact CD1-CB 3.99Å; L342-L373 HydrophobicContact CD1-CD1 4.24Å; L345-L373 HydrophobicContact CD2-CD1 4.25Å; Q369-L373 WeakPolarHBondContact O-CB 3.38Å; Q369-L373 VanDerWaalsContact O-CG 3.28Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 2.92Å; L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 3.03Å; L373-R376 PolarHBondContact O-N 3.45Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 2.8Å |
| 374 | K | 85.2 | Confident | 82.8 | Confident | 134 Ų | 134 | 62.2 Ų | 62.2 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60 | -36.5 | 175.9 | -163.7 | 160.6 | -174.1 | 153.3 | 0 | 112.9 | L342 A370 A371 E372 E378 | L342-K374 HydrophobicContact CD2-CB 3.82Å; L342-K374 HydrophobicContact CD2-CG 4.15Å; A370-K374 WeakPolarHBondContact O-CB 3.33Å; A370-K374 PolarHBondContact O-N 3.43Å; A371-K374 PolarHBondContact O-N 3.19Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 2.92Å; K374-E378 PolarHBondContact O-N 3.29Å |
| 375 | S | 85.2 | Confident | 83.5 | Confident | 60 Ų | 60 | 63 Ų | 63 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.6 | -39.9 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | A371 E372 L373 K379 | A371-S375 PolarHBondContact O-N 3.1Å; A371-S375 VanDerWaalsContact O-N 3.13Å; E372-S375 CarbonylContact O-C 3.58Å; E372-S375 WeakPolarHBondContact O-CA 3.33Å; E372-S375 WeakPolarHBondContact O-CB 3.28Å; E372-S375 PolarHBondContact O-N 2.92Å; L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 3.03Å; S375-K379 VanDerWaalsContact O-CG 3.27Å; S375-K379 WeakPolarHBondContact O-CG 3.43Å; S375-K379 PolarHBondContact O-N 3.19Å |
| 376 | R | 88 | Confident | 84.1 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 174.3 | -72.6 | -171 | 69.4 | -175 | 1.6 | 111.5 | L302 D303 D306 E372 L373 E378 K379 V380 | L302-R376 HydrophobicContact CD1-CB 3.73Å; L302-R376 HydrophobicContact CD2-CB 4.26Å; D303-R376 IonicContact OD1-CZ 2.9Å; D303-R376 IonicContact OD1-NH1 3.18Å; D303-R376 PolarHBondContact OD1-NH1 3.02Å; D303-R376 IonicContact OD1-NH2 3.67Å; D303-R376 PolarHBondContact OD1-NH2 3.27Å; D306-R376 IonicContact OD2-CZ 2.67Å; D306-R376 IonicContact OD2-NE 2.7Å; D306-R376 IonicContact OD2-NH2 2.74Å; D306-R376 PolarHBondContact OD2-NH2 2.93Å; E372-R376 PolarHBondContact O-N 3.42Å; L373-R376 PolarHBondContact O-N 3.45Å; R376-E378 PolarHBondContact O-N 3.15Å; R376-K379 WeakPolarHBondContact O-CB 3.31Å; R376-K379 PolarHBondContact O-N 3.35Å; R376-K379 VanDerWaalsContact O-N 3.08Å; R376-V380 WeakPolarHBondContact O-CG2 3.38Å; R376-V380 PolarHBondContact O-N 3.46Å |
| 377 | L | 87.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | -177.8 | -176.7 | 58.9 | 0 | 0 | 0 | 112.5 | W301 L302 K338 V339 L342 L373 R381 | W301-L377 HydrophobicContact CE3-CD1 4.46Å; W301-L377 HydrophobicContact CH2-CD1 4.19Å; W301-L377 HydrophobicContact CZ3-CD1 3.59Å; L302-L377 HydrophobicContact CD2-CB 4.25Å; L302-L377 HydrophobicContact CD2-CD1 4.2Å; K338-L377 HydrophobicContact CB-CD1 4.15Å; K338-L377 HydrophobicContact CB-CD2 4.45Å; V339-L377 HydrophobicContact CG2-CD2 3.72Å; V339-L377 HydrophobicContact CG2-CG 4.49Å; L342-L377 HydrophobicContact CD2-CD2 4.15Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 2.8Å; L377-R381 VanDerWaalsContact O-CB 3.25Å; L377-R381 WeakPolarHBondContact O-CB 3.16Å; L377-R381 PolarHBondContact O-N 2.9Å |
| 378 | E | 84.4 | Confident | 85.2 | Confident | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.1 | -32.2 | 176.3 | -166.8 | 64.2 | -163.1 | 0 | 0 | 112.1 | K374 R376 R381 T382 | K374-E378 PolarHBondContact O-N 3.29Å; R376-E378 PolarHBondContact O-N 3.15Å; E378-R381 VanDerWaalsContact CD-NH1 3.35Å; E378-R381 IonicContact OE1-CZ 2.83Å; E378-R381 IonicContact OE1-NH1 2.92Å; E378-R381 PolarHBondContact OE1-NH1 3.26Å; E378-R381 VanDerWaalsContact OE2-CD 3.3Å; E378-R381 WeakPolarHBondContact OE2-CD 3.41Å; E378-R381 IonicContact OE2-CZ 2.66Å; E378-R381 IonicContact OE2-NH1 3.43Å; E378-R381 PolarHBondContact OE2-NH1 3.33Å; E378-T382 WeakPolarHBondContact O-CG2 3.43Å; E378-T382 PolarHBondContact O-N 3.28Å; E378-T382 VanDerWaalsContact O-N 3.07Å |
| 379 | K | 86 | Confident | 85.6 | Confident | 128 Ų | 128 | 63.7 Ų | 63.7 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.5 | -53.5 | 170.9 | -71.3 | 167.8 | -173.6 | 174.3 | 0 | 111.4 | S375 R376 R381 T382 E383 | S375-K379 VanDerWaalsContact O-CG 3.27Å; S375-K379 WeakPolarHBondContact O-CG 3.43Å; S375-K379 PolarHBondContact O-N 3.19Å; R376-K379 WeakPolarHBondContact O-CB 3.31Å; R376-K379 PolarHBondContact O-N 3.35Å; R376-K379 VanDerWaalsContact O-N 3.08Å; K379-R381 VanDerWaalsContact C-N 3.28Å; K379-R381 PolarHBondContact O-N 2.78Å; K379-T382 WeakPolarHBondContact O-CA 3.43Å; K379-T382 PolarHBondContact O-N 3.1Å; K379-T382 PolarHBondContact O-OG1 3.16Å; K379-E383 PolarHBondContact O-N 3.26Å |
| 380 | V | 86 | Confident | 85.8 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.7 | -46.2 | 178.2 | 166.1 | 0 | 0 | 0 | 0 | 110.4 | W301 L302 T305 D306 L309 R376 T382 E383 L384 | W301-V380 HydrophobicContact CH2-CG1 4.42Å; W301-V380 HydrophobicContact CZ3-CG1 4.32Å; L302-V380 HydrophobicContact CD2-CB 4.22Å; L302-V380 HydrophobicContact CD2-CG2 3.82Å; T305-V380 HydrophobicContact CG2-CG1 3.47Å; T305-V380 VanDerWaalsContact CG2-CG1 3.47Å; D306-V380 WeakPolarHBondContact OD1-CG2 3.32Å; L309-V380 HydrophobicContact CD1-CG1 4.4Å; R376-V380 WeakPolarHBondContact O-CG2 3.38Å; R376-V380 PolarHBondContact O-N 3.46Å; V380-T382 PolarHBondContact O-N 3.06Å; V380-E383 PolarHBondContact O-N 3.27Å; V380-E383 VanDerWaalsContact O-N 3.13Å; V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.33Å; V380-L384 WeakPolarHBondContact O-CB 3.04Å; V380-L384 WeakPolarHBondContact O-CG 3.14Å; V380-L384 PolarHBondContact O-N 2.89Å |
| 381 | R | 87.1 | Confident | 86.2 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.8 | -45 | 173.1 | -176.3 | -170.7 | -175 | -159.9 | 1.7 | 112.9 | V335 L377 E378 K379 E383 M385 | V335-R381 HydrophobicContact CG1-CB 4.46Å; V335-R381 HydrophobicContact CG1-CG 4.18Å; V335-R381 HydrophobicContact CG2-CB 4.48Å; L377-R381 VanDerWaalsContact O-CB 3.25Å; L377-R381 WeakPolarHBondContact O-CB 3.16Å; L377-R381 PolarHBondContact O-N 2.9Å; E378-R381 VanDerWaalsContact CD-NH1 3.35Å; E378-R381 IonicContact OE1-CZ 2.83Å; E378-R381 IonicContact OE1-NH1 2.92Å; E378-R381 PolarHBondContact OE1-NH1 3.26Å; E378-R381 VanDerWaalsContact OE2-CD 3.3Å; E378-R381 WeakPolarHBondContact OE2-CD 3.41Å; E378-R381 IonicContact OE2-CZ 2.66Å; E378-R381 IonicContact OE2-NH1 3.43Å; E378-R381 PolarHBondContact OE2-NH1 3.33Å; K379-R381 VanDerWaalsContact C-N 3.28Å; K379-R381 PolarHBondContact O-N 2.78Å; R381-E383 VanDerWaalsContact C-N 3.35Å; R381-M385 VanDerWaalsContact O-CG 3.26Å; R381-M385 WeakPolarHBondContact O-CG 3.14Å; R381-M385 PolarHBondContact O-N 2.9Å |
| 382 | T | 86.9 | Confident | 86.4 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 41% | 0.405 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -29.9 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | E378 K379 V380 K386 | E378-T382 WeakPolarHBondContact O-CG2 3.43Å; E378-T382 PolarHBondContact O-N 3.28Å; E378-T382 VanDerWaalsContact O-N 3.07Å; K379-T382 WeakPolarHBondContact O-CA 3.43Å; K379-T382 PolarHBondContact O-N 3.1Å; K379-T382 PolarHBondContact O-OG1 3.16Å; V380-T382 PolarHBondContact O-N 3.06Å; T382-K386 WeakPolarHBondContact O-CE 3.43Å; T382-K386 WeakPolarHBondContact O-CG 3.39Å; T382-K386 PolarHBondContact O-N 3.5Å |
| 383 | E | 86.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 65 Ų | 65 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -81 | -39.4 | -179.1 | -159.3 | 59.5 | -127.5 | 0 | 0 | 112.3 | L309 K379 V380 R381 M385 K386 R387 | L309-E383 HydrophobicContact CD1-CB 4.01Å; L309-E383 HydrophobicContact CD1-CG 4.21Å; L309-E383 HydrophobicContact CD2-CB 4.46Å; L309-E383 HydrophobicContact CD2-CG 4.28Å; K379-E383 PolarHBondContact O-N 3.26Å; V380-E383 PolarHBondContact O-N 3.27Å; V380-E383 VanDerWaalsContact O-N 3.13Å; R381-E383 VanDerWaalsContact C-N 3.35Å; E383-M385 VanDerWaalsContact C-N 3.3Å; E383-M385 PolarHBondContact O-N 2.67Å; E383-K386 WeakPolarHBondContact O-CB 3.29Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 VanDerWaalsContact O-N 3.13Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 WeakPolarHBondContact OE2-CE 3.49Å; E383-K386 IonicContact OE2-NZ 2.63Å; E383-K386 PolarHBondContact OE2-NZ 2.98Å; E383-R387 PolarHBondContact O-N 3.11Å |
| 384 | L | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.8 | -47.4 | 168.5 | -77 | 166.8 | 0 | 0 | 0 | 111.4 | T305 F308 L309 A328 R331 V332 V335 V380 K386 R387 L388 | T305-L384 HydrophobicContact CG2-CD1 4.11Å; T305-L384 HydrophobicContact CG2-CD2 4.21Å; T305-L384 HydrophobicContact CG2-CG 4.35Å; F308-L384 HydrophobicContact CD1-CD2 4.29Å; F308-L384 HydrophobicContact CE1-CD2 3.97Å; L309-L384 HydrophobicContact CD1-CG 4.44Å; L309-L384 HydrophobicContact CD2-CD2 3.88Å; L309-L384 HydrophobicContact CD2-CG 4.15Å; L309-L384 HydrophobicContact CG-CD2 4.34Å; A328-L384 HydrophobicContact CB-CD2 4.44Å; R331-L384 HydrophobicContact CB-CD1 3.91Å; R331-L384 HydrophobicContact CB-CD2 3.72Å; V332-L384 HydrophobicContact CG2-CB 3.68Å; V332-L384 HydrophobicContact CG2-CD1 4.09Å; V332-L384 HydrophobicContact CG2-CG 4.39Å; V335-L384 HydrophobicContact CG2-CD1 4.4Å; V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.33Å; V380-L384 WeakPolarHBondContact O-CB 3.04Å; V380-L384 WeakPolarHBondContact O-CG 3.14Å; V380-L384 PolarHBondContact O-N 2.89Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.07Å; L384-R387 PolarHBondContact O-N 3.28Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.01Å |
| 385 | M | 87.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 177.8 | -70 | -65.7 | -66.3 | 0 | 0 | 112.7 | V332 R381 E383 L388 T389 | V332-M385 HydrophobicContact CG1-SD 4.29Å; V332-M385 HydrophobicContact CG2-SD 4.35Å; R381-M385 VanDerWaalsContact O-CG 3.26Å; R381-M385 WeakPolarHBondContact O-CG 3.14Å; R381-M385 PolarHBondContact O-N 2.9Å; E383-M385 VanDerWaalsContact C-N 3.3Å; E383-M385 PolarHBondContact O-N 2.67Å; M385-L388 HydrophobicContact SD-CD1 4.35Å; M385-T389 PolarHBondContact O-N 3.19Å |
| 386 | K | 86.4 | Confident | 86.6 | Confident | 101 Ų | 101 | 63 Ų | 63 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -51.6 | 171.3 | -72.5 | 175.3 | -128.5 | 161.4 | 0 | 111 | T382 E383 L384 L388 T389 V390 | T382-K386 WeakPolarHBondContact O-CE 3.43Å; T382-K386 WeakPolarHBondContact O-CG 3.39Å; T382-K386 PolarHBondContact O-N 3.5Å; E383-K386 WeakPolarHBondContact O-CB 3.29Å; E383-K386 PolarHBondContact O-N 3.03Å; E383-K386 VanDerWaalsContact O-N 3.13Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 WeakPolarHBondContact OE2-CE 3.49Å; E383-K386 IonicContact OE2-NZ 2.63Å; E383-K386 PolarHBondContact OE2-NZ 2.98Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.07Å; K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 2.8Å; K386-T389 PolarHBondContact O-N 2.7Å; K386-T389 PolarHBondContact O-OG1 2.72Å; K386-V390 PolarHBondContact O-N 3.08Å |
| 387 | R | 85.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -36.8 | -178.1 | -76.6 | -60.3 | -169.7 | 106.4 | -4.6 | 112.5 | L309 E383 L384 T389 V390 Y391 | L309-R387 HydrophobicContact CD2-CB 4.15Å; L309-R387 HydrophobicContact CD2-CG 3.77Å; L309-R387 PolarHBondContact O-NH1 2.89Å; L309-R387 PolarHBondContact O-NH2 3.25Å; L309-R387 VanDerWaalsContact O-NH2 3.11Å; E383-R387 PolarHBondContact O-N 3.11Å; L384-R387 PolarHBondContact O-N 3.28Å; R387-T389 PolarHBondContact O-N 2.9Å; R387-V390 PolarHBondContact O-N 2.74Å; R387-V390 VanDerWaalsContact O-N 3.16Å; R387-Y391 HydrophobicContact CB-CD2 4.37Å; R387-Y391 HydrophobicContact CB-CE2 3.87Å; R387-Y391 PolarHBondContact NH1-OH 2.8Å; R387-Y391 WeakPolarHBondContact O-CD2 3.21Å; R387-Y391 PolarHBondContact O-N 2.85Å |
| 388 | L | 87 | Confident | 86.4 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.9 | -49.9 | 169.5 | -77.4 | 170.2 | 0 | 0 | 0 | 112.4 | K325 A328 L329 V332 L384 M385 K386 V390 Y391 E392 | K325-L388 HydrophobicContact CG-CD2 3.95Å; A328-L388 HydrophobicContact CB-CD2 3.61Å; A328-L388 HydrophobicContact CB-CG 3.9Å; L329-L388 HydrophobicContact CD2-CD1 3.98Å; L329-L388 HydrophobicContact CD2-CD2 3.79Å; L329-L388 HydrophobicContact CG-CD2 3.72Å; V332-L388 HydrophobicContact CG2-CD1 3.89Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.01Å; M385-L388 HydrophobicContact SD-CD1 4.35Å; K386-L388 VanDerWaalsContact C-N 3.29Å; K386-L388 PolarHBondContact O-N 2.8Å; L388-V390 VanDerWaalsContact C-N 3.29Å; L388-V390 PolarHBondContact O-N 3.4Å; L388-Y391 PolarHBondContact O-N 3.34Å; L388-E392 WeakPolarHBondContact O-CG 3.39Å; L388-E392 PolarHBondContact O-N 3.37Å |
| 389 | T | 86.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 59 Ų | 59 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.5 | -28.5 | 177.7 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | M385 K386 R387 Q393 | M385-T389 PolarHBondContact O-N 3.19Å; K386-T389 PolarHBondContact O-N 2.7Å; K386-T389 PolarHBondContact O-OG1 2.72Å; R387-T389 PolarHBondContact O-N 2.9Å; T389-Q393 VanDerWaalsContact O-CG 3.25Å; T389-Q393 WeakPolarHBondContact O-CG 3.22Å; T389-Q393 PolarHBondContact O-N 3.43Å; T389-Q393 PolarHBondContact O-NE2 3.28Å |
| 390 | V | 85.9 | Confident | 86.4 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -50.4 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | K386 R387 L388 E392 Q393 K394 | K386-V390 PolarHBondContact O-N 3.08Å; R387-V390 PolarHBondContact O-N 2.74Å; R387-V390 VanDerWaalsContact O-N 3.16Å; L388-V390 VanDerWaalsContact C-N 3.29Å; L388-V390 PolarHBondContact O-N 3.4Å; V390-E392 VanDerWaalsContact C-N 3.29Å; V390-E392 PolarHBondContact O-N 2.97Å; V390-Q393 PolarHBondContact O-N 2.9Å; V390-Q393 VanDerWaalsContact O-N 3.11Å; V390-K394 HydrophobicContact CG1-CG 4.19Å; V390-K394 WeakPolarHBondContact O-CG 3.32Å; V390-K394 PolarHBondContact O-N 3.33Å |
| 391 | Y | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 178.5 | -63.8 | -48.9 | 0 | 0 | 0 | 111.6 | F313 L321 L324 A328 R387 L388 Q393 K394 I395 | F313-Y391 AromaticContact CD1-CE1 3.88Å; F313-Y391 HydrophobicContact CD1-CE1 3.88Å; F313-Y391 AromaticContact CE1-CE1 3.99Å; F313-Y391 HydrophobicContact CE1-CE1 3.99Å; F313-Y391 HydrophobicContact CG-CE1 4.35Å; L321-Y391 HydrophobicContact CD2-CD1 4Å; L324-Y391 HydrophobicContact CB-CD1 4.24Å; L324-Y391 HydrophobicContact CB-CD2 4.42Å; L324-Y391 HydrophobicContact CB-CE1 3.87Å; L324-Y391 HydrophobicContact CB-CE2 4.06Å; L324-Y391 HydrophobicContact CD1-CE1 3.96Å; A328-Y391 HydrophobicContact CB-CD2 4.45Å; A328-Y391 HydrophobicContact CB-CE2 4.31Å; R387-Y391 HydrophobicContact CB-CD2 4.37Å; R387-Y391 HydrophobicContact CB-CE2 3.87Å; R387-Y391 PolarHBondContact NH1-OH 2.8Å; R387-Y391 WeakPolarHBondContact O-CD2 3.21Å; R387-Y391 PolarHBondContact O-N 2.85Å; L388-Y391 PolarHBondContact O-N 3.34Å; Y391-Q393 PolarHBondContact O-N 3.48Å; Y391-K394 PolarHBondContact O-N 3.41Å; Y391-I395 VanDerWaalsContact O-CG1 3.23Å; Y391-I395 WeakPolarHBondContact O-CG1 3.44Å; Y391-I395 PolarHBondContact O-N 3.49Å |
| 392 | E | 86.7 | Confident | 86.6 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.8 | -73.1 | -172.8 | 144.8 | 0 | 0 | 113.2 | K325 L388 V390 K394 E396 | K325-E392 HydrophobicContact CD-CG 4.02Å; K325-E392 VanDerWaalsContact CE-CG 3.47Å; K325-E392 WeakPolarHBondContact CE-OE1 3.5Å; K325-E392 IonicContact NZ-OE1 2.72Å; K325-E392 PolarHBondContact NZ-OE1 3.03Å; L388-E392 WeakPolarHBondContact O-CG 3.39Å; L388-E392 PolarHBondContact O-N 3.37Å; V390-E392 VanDerWaalsContact C-N 3.29Å; V390-E392 PolarHBondContact O-N 2.97Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 2.74Å; E392-E396 PolarHBondContact O-N 3.41Å |
| 393 | Q | 86.3 | Confident | 86.6 | Confident | 134 Ų | 134 | 58.2 Ų | 58.2 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.8 | -34.2 | 176.1 | -70.1 | 169.1 | 34.7 | 0 | 0 | 112.3 | T389 V390 Y391 A397 | T389-Q393 VanDerWaalsContact O-CG 3.25Å; T389-Q393 WeakPolarHBondContact O-CG 3.22Å; T389-Q393 PolarHBondContact O-N 3.43Å; T389-Q393 PolarHBondContact O-NE2 3.28Å; V390-Q393 PolarHBondContact O-N 2.9Å; V390-Q393 VanDerWaalsContact O-N 3.11Å; Y391-Q393 PolarHBondContact O-N 3.48Å; Q393-A397 WeakPolarHBondContact O-CB 2.84Å; Q393-A397 PolarHBondContact O-N 2.89Å; Q393-A397 VanDerWaalsContact O-N 3.09Å |
| 394 | K | 84.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 58 Ų | 58 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.7 | -37.8 | 178 | -64.5 | -60.9 | 177.8 | -178.9 | 0 | 113.1 | F313 L321 V390 Y391 E392 E396 A397 C398 E462 | F313-K394 HydrophobicContact CE2-CG 4.2Å; L321-K394 HydrophobicContact CD1-CB 3.88Å; L321-K394 HydrophobicContact CD2-CB 3.8Å; L321-K394 HydrophobicContact CG-CB 4.49Å; V390-K394 HydrophobicContact CG1-CG 4.19Å; V390-K394 WeakPolarHBondContact O-CG 3.32Å; V390-K394 PolarHBondContact O-N 3.33Å; Y391-K394 PolarHBondContact O-N 3.41Å; E392-K394 VanDerWaalsContact C-N 3.33Å; E392-K394 PolarHBondContact O-N 2.74Å; K394-E396 VanDerWaalsContact C-N 3.3Å; K394-E396 PolarHBondContact O-N 3.29Å; K394-A397 PolarHBondContact O-N 3.37Å; K394-C398 WeakPolarHBondContact O-CB 3.22Å; K394-C398 PolarHBondContact O-N 3.44Å; K394-E462 VanDerWaalsContact CE-OE1 3.23Å; K394-E462 WeakPolarHBondContact CE-OE1 3.4Å; K394-E462 WeakPolarHBondContact CE-OE2 3.27Å; K394-E462 IonicContact NZ-OE1 3.39Å; K394-E462 PolarHBondContact NZ-OE1 3.31Å; K394-E462 IonicContact NZ-OE2 3.41Å; K394-E462 PolarHBondContact NZ-OE2 3.16Å |
| 395 | I | 86.4 | Confident | 86.6 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 173.8 | -67.7 | 162.4 | 0 | 0 | 0 | 110.3 | L321 K325 Y391 S399 | L321-I395 HydrophobicContact CB-CD1 4.43Å; L321-I395 HydrophobicContact CB-CG1 3.65Å; K325-I395 HydrophobicContact CB-CD1 4.26Å; K325-I395 HydrophobicContact CD-CD1 3.98Å; Y391-I395 VanDerWaalsContact O-CG1 3.23Å; Y391-I395 WeakPolarHBondContact O-CG1 3.44Å; Y391-I395 PolarHBondContact O-N 3.49Å; I395-S399 VanDerWaalsContact O-CB 3.27Å; I395-S399 WeakPolarHBondContact O-CB 3.25Å; I395-S399 PolarHBondContact O-N 3.29Å; I395-S399 PolarHBondContact O-OG 2.71Å |
| 396 | E | 85.5 | Confident | 86.5 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175 | 178.1 | 62.5 | -162.3 | 0 | 0 | 111.9 | E392 K394 S399 R400 | E392-E396 PolarHBondContact O-N 3.41Å; K394-E396 VanDerWaalsContact C-N 3.3Å; K394-E396 PolarHBondContact O-N 3.29Å; E396-S399 PolarHBondContact O-N 2.86Å; E396-R400 WeakPolarHBondContact O-CG 3.34Å; E396-R400 PolarHBondContact O-N 3.06Å; E396-R400 VanDerWaalsContact O-N 3.07Å; E396-R400 IonicContact OE1-CZ 2.74Å; E396-R400 IonicContact OE1-NE 2.65Å; E396-R400 PolarHBondContact OE1-NE 2.82Å; E396-R400 IonicContact OE1-NH2 2.85Å; E396-R400 PolarHBondContact OE1-NH2 3.33Å |
| 397 | A | 85.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q393 K394 R400 F401 F459 | Q393-A397 WeakPolarHBondContact O-CB 2.84Å; Q393-A397 PolarHBondContact O-N 2.89Å; Q393-A397 VanDerWaalsContact O-N 3.09Å; K394-A397 PolarHBondContact O-N 3.37Å; A397-R400 PolarHBondContact O-N 3.49Å; A397-F401 WeakPolarHBondContact O-CB 3.42Å; A397-F401 PolarHBondContact O-N 2.95Å; A397-F459 HydrophobicContact CB-CE1 4.38Å; A397-F459 HydrophobicContact CB-CZ 4.07Å |
| 398 | C | 85.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | P315 T316 S318 L321 K394 R400 F401 W402 | P315-C398 WeakPolarHBondContact O-CB 3.36Å; T316-C398 PolarHBondContact O-SG 2.85Å; S318-C398 PolarHBondContact N-SG 3.29Å; S318-C398 VanDerWaalsContact N-SG 3.37Å; L321-C398 HydrophobicContact CD1-CB 3.98Å; K394-C398 WeakPolarHBondContact O-CB 3.22Å; K394-C398 PolarHBondContact O-N 3.44Å; C398-R400 VanDerWaalsContact C-N 3.33Å; C398-R400 PolarHBondContact O-N 3.18Å; C398-F401 PolarHBondContact O-N 2.7Å; C398-W402 PolarHBondContact O-N 3.3Å |
| 399 | S | 84.6 | Confident | 86.6 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 175.7 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | I395 E396 N403 | I395-S399 VanDerWaalsContact O-CB 3.27Å; I395-S399 WeakPolarHBondContact O-CB 3.25Å; I395-S399 PolarHBondContact O-N 3.29Å; I395-S399 PolarHBondContact O-OG 2.71Å; E396-S399 PolarHBondContact O-N 2.86Å; S399-N403 WeakPolarHBondContact O-CB 3.5Å; S399-N403 VanDerWaalsContact O-CG 3.24Å; S399-N403 PolarHBondContact O-N 2.91Å; S399-N403 PolarHBondContact O-ND2 2.96Å |
| 400 | R | 86.4 | Confident | 86.5 | Confident | 144 Ų | 144 | 60 Ų | 60 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.7 | -52.5 | 173 | -68.7 | 171.3 | -170.4 | -164.2 | 4.1 | 111 | E396 A397 C398 W402 N403 D404 | E396-R400 WeakPolarHBondContact O-CG 3.34Å; E396-R400 PolarHBondContact O-N 3.06Å; E396-R400 VanDerWaalsContact O-N 3.07Å; E396-R400 IonicContact OE1-CZ 2.74Å; E396-R400 IonicContact OE1-NE 2.65Å; E396-R400 PolarHBondContact OE1-NE 2.82Å; E396-R400 IonicContact OE1-NH2 2.85Å; E396-R400 PolarHBondContact OE1-NH2 3.33Å; A397-R400 PolarHBondContact O-N 3.49Å; C398-R400 VanDerWaalsContact C-N 3.33Å; C398-R400 PolarHBondContact O-N 3.18Å; R400-W402 VanDerWaalsContact C-N 3.33Å; R400-W402 PolarHBondContact O-N 3.25Å; R400-N403 PolarHBondContact O-N 3.43Å; R400-D404 WeakPolarHBondContact O-CB 3.29Å; R400-D404 PolarHBondContact O-N 2.91Å |
| 401 | F | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -51.8 | -46 | 177.9 | 173.7 | -93.2 | 0 | 0 | 0 | 113.5 | T316 A397 C398 L405 F452 L455 Y456 F459 T474 V478 | T316-F401 HydrophobicContact CG2-CD1 4.13Å; T316-F401 HydrophobicContact CG2-CE1 3.92Å; T316-F401 HydrophobicContact CG2-CZ 4.22Å; A397-F401 WeakPolarHBondContact O-CB 3.42Å; A397-F401 PolarHBondContact O-N 2.95Å; C398-F401 PolarHBondContact O-N 2.7Å; F401-L405 HydrophobicContact CE1-CD2 4.05Å; F401-L405 HydrophobicContact CZ-CD2 4.21Å; F401-L405 WeakPolarHBondContact O-CB 3.44Å; F401-L405 PolarHBondContact O-N 2.88Å; F401-F452 HydrophobicContact CD2-CD2 4.28Å; F401-F452 AromaticContact CD2-CE2 3.4Å; F401-F452 HydrophobicContact CD2-CE2 3.4Å; F401-F452 VanDerWaalsContact CD2-CE2 3.4Å; F401-F452 AromaticContact CD2-CZ 3.82Å; F401-F452 HydrophobicContact CD2-CZ 3.82Å; F401-F452 HydrophobicContact CE2-CD2 4.48Å; F401-F452 HydrophobicContact CE2-CE1 4.29Å; F401-F452 AromaticContact CE2-CE2 3.41Å; F401-F452 HydrophobicContact CE2-CE2 3.41Å; F401-F452 VanDerWaalsContact CE2-CE2 3.41Å; F401-F452 AromaticContact CE2-CZ 3.28Å; F401-F452 HydrophobicContact CE2-CZ 3.28Å; F401-F452 HydrophobicContact CG-CE2 4.13Å; F401-F452 HydrophobicContact CZ-CE2 4.14Å; F401-F452 AromaticContact CZ-CZ 3.75Å; F401-F452 HydrophobicContact CZ-CZ 3.75Å; F401-L455 HydrophobicContact CB-CD2 3.96Å; F401-L455 HydrophobicContact CD2-CD2 4.23Å; F401-L455 HydrophobicContact CD2-CG 4.33Å; F401-Y456 AromaticContact CE2-CD2 3.86Å; F401-Y456 HydrophobicContact CE2-CD2 3.86Å; F401-Y456 HydrophobicContact CE2-CG 4.46Å; F401-Y456 HydrophobicContact CZ-CD2 4.01Å; F401-F459 HydrophobicContact CB-CE2 3.73Å; F401-F459 HydrophobicContact CB-CZ 4.47Å; F401-F459 HydrophobicContact CD1-CE2 4.45Å; F401-F459 AromaticContact CD2-CD2 3.95Å; F401-F459 HydrophobicContact CD2-CD2 3.95Å; F401-F459 AromaticContact CD2-CE2 3.75Å; F401-F459 HydrophobicContact CD2-CE2 3.75Å; F401-F459 HydrophobicContact CE2-CD2 4.27Å; F401-F459 HydrophobicContact CE2-CE2 4.5Å; F401-F459 HydrophobicContact CG-CD2 4.27Å; F401-F459 AromaticContact CG-CE2 3.73Å; F401-F459 HydrophobicContact CG-CE2 3.73Å; F401-T474 HydrophobicContact CE1-CG2 3.8Å; F401-T474 HydrophobicContact CZ-CG2 3.71Å; F401-V478 HydrophobicContact CE2-CG2 4.39Å; F401-V478 HydrophobicContact CZ-CG2 3.85Å |
| 402 | W | 87.5 | Confident | 86.5 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.7 | -23.4 | 178.6 | -80.5 | 109.6 | 0 | 0 | 0 | 114.5 | T316 C398 R400 L405 R406 T474 | T316-W402 PolarHBondContact O-NE1 3.24Å; C398-W402 PolarHBondContact O-N 3.3Å; R400-W402 VanDerWaalsContact C-N 3.33Å; R400-W402 PolarHBondContact O-N 3.25Å; W402-L405 HydrophobicContact CE3-CD2 3.92Å; W402-L405 HydrophobicContact CH2-CD2 4.41Å; W402-L405 HydrophobicContact CZ3-CD2 3.73Å; W402-R406 WeakPolarHBondContact O-CB 3.46Å; W402-R406 PolarHBondContact O-N 2.79Å; W402-T474 WeakPolarHBondContact CZ2-OG1 3.39Å |
| 403 | N | 87.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.8 | -50.2 | 170.8 | -72.1 | -29.2 | 0 | 0 | 0 | 110.2 | S399 R400 L405 R406 E407 | S399-N403 WeakPolarHBondContact O-CB 3.5Å; S399-N403 VanDerWaalsContact O-CG 3.24Å; S399-N403 PolarHBondContact O-N 2.91Å; S399-N403 PolarHBondContact O-ND2 2.96Å; R400-N403 PolarHBondContact O-N 3.43Å; N403-L405 PolarHBondContact O-N 2.87Å; N403-R406 WeakPolarHBondContact O-CB 3.49Å; N403-R406 PolarHBondContact O-N 3.45Å; N403-E407 PolarHBondContact O-N 3.13Å |
| 404 | D | 86.7 | Confident | 86.4 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 177 | -61.4 | -15.4 | 0 | 0 | 0 | 110.8 | R400 R406 E407 L408 F452 | R400-D404 WeakPolarHBondContact O-CB 3.29Å; R400-D404 PolarHBondContact O-N 2.91Å; D404-R406 VanDerWaalsContact C-N 3.26Å; D404-R406 PolarHBondContact O-N 2.88Å; D404-E407 PolarHBondContact O-N 2.86Å; D404-L408 WeakPolarHBondContact O-CB 3.4Å; D404-L408 WeakPolarHBondContact O-CG 3.15Å; D404-L408 PolarHBondContact O-N 3.09Å; D404-F452 HydrophobicContact CB-CD2 3.76Å; D404-F452 HydrophobicContact CB-CE2 4.31Å |
| 405 | L | 88.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -37.7 | 176.4 | 179.7 | 53.8 | 0 | 0 | 0 | 112 | F401 W402 N403 S409 F452 V478 L481 | F401-L405 HydrophobicContact CE1-CD2 4.05Å; F401-L405 HydrophobicContact CZ-CD2 4.21Å; F401-L405 WeakPolarHBondContact O-CB 3.44Å; F401-L405 PolarHBondContact O-N 2.88Å; W402-L405 HydrophobicContact CE3-CD2 3.92Å; W402-L405 HydrophobicContact CH2-CD2 4.41Å; W402-L405 HydrophobicContact CZ3-CD2 3.73Å; N403-L405 PolarHBondContact O-N 2.87Å; L405-S409 WeakPolarHBondContact O-CB 3.31Å; L405-S409 PolarHBondContact O-N 3.25Å; L405-S409 PolarHBondContact O-OG 2.93Å; L405-F452 HydrophobicContact CB-CE2 3.65Å; L405-F452 HydrophobicContact CB-CZ 3.69Å; L405-F452 HydrophobicContact CD1-CE1 4.1Å; L405-F452 HydrophobicContact CD1-CE2 4.5Å; L405-F452 HydrophobicContact CD1-CZ 3.72Å; L405-F452 HydrophobicContact CD2-CZ 4.31Å; L405-F452 HydrophobicContact CG-CZ 4.1Å; L405-V478 HydrophobicContact CD1-CG2 4.35Å; L405-V478 HydrophobicContact CD2-CG2 4.26Å; L405-L481 HydrophobicContact CD1-CB 3.95Å; L405-L481 HydrophobicContact CD1-CD2 3.85Å |
| 406 | R | 86.5 | Confident | 86.2 | Confident | 161 Ų | 161 | 55.4 Ų | 55.4 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -74.6 | -44.8 | -178.9 | -175.1 | -172.2 | -52.3 | 167.2 | 7.2 | 112 | W402 N403 D404 S410 | W402-R406 WeakPolarHBondContact O-CB 3.46Å; W402-R406 PolarHBondContact O-N 2.79Å; N403-R406 WeakPolarHBondContact O-CB 3.49Å; N403-R406 PolarHBondContact O-N 3.45Å; D404-R406 VanDerWaalsContact C-N 3.26Å; D404-R406 PolarHBondContact O-N 2.88Å; R406-S410 VanDerWaalsContact O-CB 3.24Å; R406-S410 WeakPolarHBondContact O-CB 3.23Å; R406-S410 PolarHBondContact O-N 3.37Å |
| 407 | E | 85.8 | Confident | 86 | Confident | 130 Ų | 130 | 54.4 Ų | 54.4 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.4 | -46.5 | 177 | -69.8 | -161.6 | -173.8 | 0 | 0 | 111 | N403 D404 S410 W411 | N403-E407 PolarHBondContact O-N 3.13Å; D404-E407 PolarHBondContact O-N 2.86Å; E407-S410 PolarHBondContact O-N 3.37Å; E407-W411 VanDerWaalsContact O-CB 3.31Å; E407-W411 WeakPolarHBondContact O-CB 3.37Å; E407-W411 PolarHBondContact O-N 2.85Å |
| 408 | L | 88.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.9 | -65.3 | 176.3 | 0 | 0 | 0 | 112.4 | D404 T412 K445 E448 I449 F452 L481 | D404-L408 WeakPolarHBondContact O-CB 3.4Å; D404-L408 WeakPolarHBondContact O-CG 3.15Å; D404-L408 PolarHBondContact O-N 3.09Å; L408-T412 VanDerWaalsContact O-CB 3.31Å; L408-T412 WeakPolarHBondContact O-CB 3.47Å; L408-T412 VanDerWaalsContact O-CG2 3.3Å; L408-T412 WeakPolarHBondContact O-CG2 3.35Å; L408-T412 PolarHBondContact O-N 3.27Å; L408-T412 PolarHBondContact O-OG1 2.99Å; L408-K445 HydrophobicContact CD2-CD 4.09Å; L408-E448 HydrophobicContact CD1-CB 4.34Å; L408-E448 HydrophobicContact CD2-CB 3.82Å; L408-E448 WeakPolarHBondContact CD2-OE2 3.48Å; L408-I449 HydrophobicContact CD1-CG1 4.01Å; L408-I449 HydrophobicContact CD2-CG1 3.92Å; L408-I449 HydrophobicContact CG-CG1 4.41Å; L408-F452 HydrophobicContact CD1-CB 3.7Å; L408-F452 HydrophobicContact CD1-CD2 4.48Å; L408-F452 HydrophobicContact CD1-CG 4.02Å; L408-L481 HydrophobicContact CB-CD1 3.78Å; L408-L481 HydrophobicContact CB-CD2 3.88Å; L408-L481 HydrophobicContact CD1-CD2 4.3Å |
| 409 | S | 85.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 112 | L405 T412 Q413 | L405-S409 WeakPolarHBondContact O-CB 3.31Å; L405-S409 PolarHBondContact O-N 3.25Å; L405-S409 PolarHBondContact O-OG 2.93Å; S409-T412 PolarHBondContact O-OG1 3.19Å; S409-Q413 WeakPolarHBondContact O-CB 3.46Å; S409-Q413 PolarHBondContact O-N 3.26Å |
| 410 | S | 85.5 | Confident | 85 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -49.3 | 176.6 | -167.4 | 0 | 0 | 0 | 0 | 111 | R406 E407 Q413 N414 | R406-S410 VanDerWaalsContact O-CB 3.24Å; R406-S410 WeakPolarHBondContact O-CB 3.23Å; R406-S410 PolarHBondContact O-N 3.37Å; E407-S410 PolarHBondContact O-N 3.37Å; S410-Q413 PolarHBondContact O-N 3.36Å; S410-N414 WeakPolarHBondContact O-CB 3.45Å; S410-N414 PolarHBondContact O-N 2.89Å; S410-N414 PolarHBondContact O-ND2 3.44Å |
| 411 | W | 88.5 | Confident | 84.3 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 13% | 0.125 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | 177.7 | 177.7 | 86.7 | 0 | 0 | 0 | 111.7 | E407 Q413 N414 V415 E441 I442 K445 I449 W485 I488 | E407-W411 VanDerWaalsContact O-CB 3.31Å; E407-W411 WeakPolarHBondContact O-CB 3.37Å; E407-W411 PolarHBondContact O-N 2.85Å; W411-Q413 PolarHBondContact O-N 3.24Å; W411-N414 PolarHBondContact O-N 3.24Å; W411-V415 HydrophobicContact CD2-CG2 4.13Å; W411-V415 HydrophobicContact CH2-CG2 4.34Å; W411-V415 HydrophobicContact CZ2-CB 4.39Å; W411-V415 HydrophobicContact CZ2-CG2 3.65Å; W411-V415 PolarHBondContact O-N 2.76Å; W411-E441 HydrophobicContact CZ2-CB 4.31Å; W411-I442 HydrophobicContact CH2-CB 4.23Å; W411-I442 HydrophobicContact CH2-CG1 3.78Å; W411-I442 HydrophobicContact CZ2-CG1 3.92Å; W411-K445 HydrophobicContact CD2-CB 4.14Å; W411-K445 HydrophobicContact CD2-CD 4.15Å; W411-K445 HydrophobicContact CD2-CG 3.76Å; W411-K445 HydrophobicContact CE3-CB 3.89Å; W411-K445 HydrophobicContact CE3-CD 4.39Å; W411-K445 HydrophobicContact CE3-CG 4.03Å; W411-K445 HydrophobicContact CG-CD 4.37Å; W411-K445 HydrophobicContact CG-CG 4.35Å; W411-K445 HydrophobicContact CH2-CB 3.57Å; W411-K445 HydrophobicContact CH2-CG 4.09Å; W411-K445 HydrophobicContact CZ2-CB 3.77Å; W411-K445 HydrophobicContact CZ2-CG 3.77Å; W411-K445 HydrophobicContact CZ3-CB 3.62Å; W411-K445 HydrophobicContact CZ3-CG 4.19Å; W411-I449 HydrophobicContact CZ3-CD1 4.32Å; W411-W485 AromaticContact CH2-CZ3 4Å; W411-W485 HydrophobicContact CH2-CZ3 4Å; W411-W485 HydrophobicContact CZ3-CE3 4.26Å; W411-W485 AromaticContact CZ3-CZ3 3.85Å; W411-W485 HydrophobicContact CZ3-CZ3 3.85Å; W411-I488 HydrophobicContact CZ3-CD1 4.4Å |
| 412 | T | 86.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | L408 S409 K416 I449 L481 W485 I488 | L408-T412 VanDerWaalsContact O-CB 3.31Å; L408-T412 WeakPolarHBondContact O-CB 3.47Å; L408-T412 VanDerWaalsContact O-CG2 3.3Å; L408-T412 WeakPolarHBondContact O-CG2 3.35Å; L408-T412 PolarHBondContact O-N 3.27Å; L408-T412 PolarHBondContact O-OG1 2.99Å; S409-T412 PolarHBondContact O-OG1 3.19Å; T412-K416 WeakPolarHBondContact O-CB 3.46Å; T412-K416 PolarHBondContact O-N 3.33Å; T412-I449 HydrophobicContact CG2-CD1 3.96Å; T412-L481 HydrophobicContact CG2-CD1 3.69Å; T412-W485 HydrophobicContact CG2-CE3 4.21Å; T412-I488 HydrophobicContact CG2-CD1 3.91Å; T412-I488 WeakPolarHBondContact O-CD1 3.34Å |
| 413 | Q | 85.1 | Confident | 82.3 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 174.4 | -173.7 | 56.8 | 64.6 | 0 | 0 | 111.9 | S409 S410 W411 N417 N484 | S409-Q413 WeakPolarHBondContact O-CB 3.46Å; S409-Q413 PolarHBondContact O-N 3.26Å; S410-Q413 PolarHBondContact O-N 3.36Å; W411-Q413 PolarHBondContact O-N 3.24Å; Q413-N417 PolarHBondContact NE2-OD1 3.05Å; Q413-N417 WeakPolarHBondContact O-CB 3.44Å; Q413-N417 PolarHBondContact O-N 2.83Å; Q413-N417 PolarHBondContact O-ND2 3.29Å; Q413-N417 PolarHBondContact O-OD1 3Å; Q413-N484 PolarHBondContact OE1-ND2 3.47Å |
| 414 | N | 84.7 | Confident | 81.2 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | 176.9 | -70.7 | -30.1 | 0 | 0 | 0 | 111.9 | S410 W411 N417 L418 | S410-N414 WeakPolarHBondContact O-CB 3.45Å; S410-N414 PolarHBondContact O-N 2.89Å; S410-N414 PolarHBondContact O-ND2 3.44Å; W411-N414 PolarHBondContact O-N 3.24Å; N414-N417 WeakPolarHBondContact O-CB 3.3Å; N414-N417 PolarHBondContact O-N 3.04Å; N414-L418 PolarHBondContact O-N 2.95Å |
| 415 | V | 84.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67 | -38 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | W411 N417 L418 L419 L438 I442 I488 | W411-V415 HydrophobicContact CD2-CG2 4.13Å; W411-V415 HydrophobicContact CH2-CG2 4.34Å; W411-V415 HydrophobicContact CZ2-CB 4.39Å; W411-V415 HydrophobicContact CZ2-CG2 3.65Å; W411-V415 PolarHBondContact O-N 2.76Å; V415-N417 VanDerWaalsContact C-N 3.32Å; V415-N417 PolarHBondContact O-N 2.93Å; V415-L418 PolarHBondContact O-N 2.93Å; V415-L419 HydrophobicContact CG1-CD1 3.88Å; V415-L419 HydrophobicContact CG1-CG 4.25Å; V415-L419 WeakPolarHBondContact O-CB 3.34Å; V415-L419 VanDerWaalsContact O-CG 3.31Å; V415-L419 WeakPolarHBondContact O-CG 3.45Å; V415-L419 PolarHBondContact O-N 3.49Å; V415-L438 HydrophobicContact CG1-CD1 4.46Å; V415-L438 HydrophobicContact CG2-CD1 4.33Å; V415-I442 HydrophobicContact CG1-CD1 4.16Å; V415-I442 HydrophobicContact CG1-CG1 4.19Å; V415-I488 HydrophobicContact CB-CD1 3.94Å; V415-I488 HydrophobicContact CG1-CD1 3.94Å; V415-I488 HydrophobicContact CG1-CG1 4.18Å; V415-I488 HydrophobicContact CG1-CG2 4.46Å |
| 416 | K | 83.2 | Confident | 78.1 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 22% | 0.217 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 170.8 | 179.9 | -175.5 | 179.8 | -171.9 | 0 | 111.9 | T412 L420 N484 A487 I488 M491 | T412-K416 WeakPolarHBondContact O-CB 3.46Å; T412-K416 PolarHBondContact O-N 3.33Å; K416-L420 HydrophobicContact CG-CD1 4.32Å; K416-L420 WeakPolarHBondContact O-CB 3.5Å; K416-L420 WeakPolarHBondContact O-CD1 3.42Å; K416-L420 WeakPolarHBondContact O-CG 3.04Å; K416-L420 PolarHBondContact O-N 3.21Å; K416-N484 HydrophobicContact CD-CB 4.27Å; K416-N484 VanDerWaalsContact CD-OD1 3.28Å; K416-N484 WeakPolarHBondContact CD-OD1 3.24Å; K416-N484 WeakPolarHBondContact CE-OD1 3.42Å; K416-N484 PolarHBondContact NZ-OD1 2.92Å; K416-A487 HydrophobicContact CD-CB 4.26Å; K416-A487 HydrophobicContact CG-CB 4.47Å; K416-I488 HydrophobicContact CB-CG1 4.16Å; K416-M491 HydrophobicContact CB-CE 4.3Å; K416-M491 HydrophobicContact CG-CE 3.86Å |
| 417 | N | 81.7 | Confident | 76.3 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 174.6 | -68.9 | -15.3 | 0 | 0 | 0 | 111.5 | Q413 N414 V415 L419 L420 E421 | Q413-N417 PolarHBondContact NE2-OD1 3.05Å; Q413-N417 WeakPolarHBondContact O-CB 3.44Å; Q413-N417 PolarHBondContact O-N 2.83Å; Q413-N417 PolarHBondContact O-ND2 3.29Å; Q413-N417 PolarHBondContact O-OD1 3Å; N414-N417 WeakPolarHBondContact O-CB 3.3Å; N414-N417 PolarHBondContact O-N 3.04Å; V415-N417 VanDerWaalsContact C-N 3.32Å; V415-N417 PolarHBondContact O-N 2.93Å; N417-L419 PolarHBondContact O-N 2.83Å; N417-L420 WeakPolarHBondContact O-CB 3.46Å; N417-L420 PolarHBondContact O-N 3.09Å; N417-E421 PolarHBondContact O-N 2.79Å |
| 418 | L | 79.7 | Confident | 74 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.8 | -138.7 | 75.1 | 0 | 0 | 0 | 112.1 | N414 V415 E421 C422 V433 L438 | N414-L418 PolarHBondContact O-N 2.95Å; V415-L418 PolarHBondContact O-N 2.93Å; L418-E421 PolarHBondContact O-N 3.27Å; L418-C422 PolarHBondContact O-N 3.22Å; L418-C422 PolarHBondContact O-SG 3.32Å; L418-C422 VanDerWaalsContact O-SG 3.33Å; L418-V433 HydrophobicContact CD2-CG1 3.97Å; L418-V433 HydrophobicContact CD2-CG2 3.83Å; L418-V433 HydrophobicContact CG-CG2 4.15Å; L418-L438 HydrophobicContact CD2-CD1 3.88Å; L418-L438 HydrophobicContact CD2-CD2 4.3Å |
| 419 | L | 77.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | 176.2 | -68.2 | 170.1 | 0 | 0 | 0 | 112 | V415 N417 C422 K423 L438 I488 M491 I492 F495 | V415-L419 HydrophobicContact CG1-CD1 3.88Å; V415-L419 HydrophobicContact CG1-CG 4.25Å; V415-L419 WeakPolarHBondContact O-CB 3.34Å; V415-L419 VanDerWaalsContact O-CG 3.31Å; V415-L419 WeakPolarHBondContact O-CG 3.45Å; V415-L419 PolarHBondContact O-N 3.49Å; N417-L419 PolarHBondContact O-N 2.83Å; L419-C422 PolarHBondContact O-N 2.83Å; L419-K423 WeakPolarHBondContact O-CB 3.35Å; L419-K423 PolarHBondContact O-N 2.87Å; L419-L438 HydrophobicContact CD2-CD2 3.82Å; L419-L438 HydrophobicContact CG-CD2 4.33Å; L419-I488 HydrophobicContact CD1-CB 4.4Å; L419-I488 HydrophobicContact CD1-CG1 4.19Å; L419-I488 HydrophobicContact CD1-CG2 4.15Å; L419-M491 HydrophobicContact CB-CB 4.28Å; L419-M491 HydrophobicContact CB-CE 3.72Å; L419-M491 HydrophobicContact CB-SD 3.9Å; L419-M491 HydrophobicContact CD1-CB 4.18Å; L419-M491 HydrophobicContact CD1-CE 4.15Å; L419-I492 HydrophobicContact CD1-CG1 4.26Å; L419-F495 HydrophobicContact CB-CE2 4.33Å; L419-F495 HydrophobicContact CD2-CD2 4.09Å; L419-F495 HydrophobicContact CD2-CE2 3.73Å |
| 420 | L | 75.8 | Confident | 69.8 | Low | 86 Ų | 86 | 81.4 Ų | 81.4 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 171.7 | -82.7 | 165 | 0 | 0 | 0 | 112.3 | K416 N417 K423 S424 M491 | K416-L420 HydrophobicContact CG-CD1 4.32Å; K416-L420 WeakPolarHBondContact O-CB 3.5Å; K416-L420 WeakPolarHBondContact O-CD1 3.42Å; K416-L420 WeakPolarHBondContact O-CG 3.04Å; K416-L420 PolarHBondContact O-N 3.21Å; N417-L420 WeakPolarHBondContact O-CB 3.46Å; N417-L420 PolarHBondContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3Å; L420-S424 PolarHBondContact O-N 3.24Å; L420-M491 HydrophobicContact CD2-SD 4.26Å; L420-M491 HydrophobicContact CG-CE 4.45Å; L420-M491 HydrophobicContact CG-SD 4.01Å |
| 421 | E | 71.9 | Confident | 67.7 | Low | 135 Ų | 135 | 83.8 Ų | 83.8 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -48.5 | 173.2 | -73.4 | -168.9 | 173.6 | 0 | 0 | 111.1 | N417 L418 K423 S424 A425 | N417-E421 PolarHBondContact O-N 2.79Å; L418-E421 PolarHBondContact O-N 3.27Å; E421-K423 VanDerWaalsContact C-N 3.29Å; E421-K423 PolarHBondContact O-N 3.47Å; E421-S424 WeakPolarHBondContact O-CB 3.43Å; E421-S424 PolarHBondContact O-N 3.12Å; E421-S424 PolarHBondContact O-OG 3.17Å; E421-A425 PolarHBondContact O-N 3.11Å |
| 422 | C | 67.7 | Low | 66 | Low | 46 Ų | 46 | 94 Ų | 94 | 31% | 0.311 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.8 | -41.6 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | L418 L419 S424 A425 F495 | L418-C422 PolarHBondContact O-N 3.22Å; L418-C422 PolarHBondContact O-SG 3.32Å; L418-C422 VanDerWaalsContact O-SG 3.33Å; L419-C422 PolarHBondContact O-N 2.83Å; C422-S424 PolarHBondContact O-N 3.42Å; C422-A425 PolarHBondContact O-N 3.28Å; C422-F495 HydrophobicContact CB-CZ 3.94Å |
| 423 | K | 67.1 | Low | 64.7 | Low | 123 Ų | 123 | 96.4 Ų | 96.4 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.3 | -16.2 | 177.2 | -170 | 169.8 | -178.3 | 173.7 | 0 | 113.9 | L419 L420 E421 F495 | L419-K423 WeakPolarHBondContact O-CB 3.35Å; L419-K423 PolarHBondContact O-N 2.87Å; L420-K423 PolarHBondContact O-N 3Å; E421-K423 VanDerWaalsContact C-N 3.29Å; E421-K423 PolarHBondContact O-N 3.47Å; K423-F495 HydrophobicContact CB-CZ 4.24Å |
| 424 | S | 65 | Low | 63.7 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -94.7 | -16.7 | -179.1 | 78.6 | 0 | 0 | 0 | 0 | 114.6 | L420 E421 C422 T426 | L420-S424 PolarHBondContact O-N 3.24Å; E421-S424 WeakPolarHBondContact O-CB 3.43Å; E421-S424 PolarHBondContact O-N 3.12Å; E421-S424 PolarHBondContact O-OG 3.17Å; C422-S424 PolarHBondContact O-N 3.42Å; S424-T426 PolarHBondContact O-N 2.94Å; S424-T426 VanDerWaalsContact O-N 3.11Å |
| 425 | A | 56.1 | Low | 62.8 | Low | 70 Ų | 70 | 95.7 Ų | 95.7 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | trans | -73.7 | 101.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E421 C422 | E421-A425 PolarHBondContact O-N 3.11Å; C422-A425 PolarHBondContact O-N 3.28Å | ||
| 426 | T | 53.4 | Low | 62 | Low | 135 Ų | 135 | 102.2 Ų | 102.2 | 83% | 0.828 | 54% | 0.538 | S | S | * | . | trans | -99.3 | -23.2 | -170.5 | 35.2 | 0 | 0 | 0 | 0 | 116 | S424 | S424-T426 PolarHBondContact O-N 2.94Å; S424-T426 VanDerWaalsContact O-N 3.11Å | ||
| 427 | I | 48.4 | Very low | 61.6 | Low | 150 Ų | 150 | 103.8 Ų | 103.8 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -145.7 | 115.7 | 177.5 | -54.8 | -179.4 | 0 | 0 | 0 | 111.4 | T429 | I427-T429 PolarHBondContact O-N 3.12Š|
| 428 | Y | 37.4 | Very low | 61.3 | Low | 222 Ų | 222 | 100.7 Ų | 100.7 | 87% | 0.871 | 54% | 0.535 | S | S | * | . | trans | 33.5 | 74.2 | 161.4 | -155.6 | -92.9 | 0 | 0 | 0 | 117.5 | ||||
| 429 | T | 42 | Very low | 61.1 | Low | 115 Ų | 115 | 98.7 Ų | 98.7 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | trans | -110.5 | 131.6 | 160.9 | -50.3 | 0 | 0 | 0 | 0 | 108.4 | I427 S431 | I427-T429 PolarHBondContact O-N 3.12Å; T429-S431 PolarHBondContact O-N 2.89Å | ||
| 430 | P | 44.7 | Very low | 61.1 | Low | 104 Ų | 104 | 100 Ų | 100 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | trans | -60 | 135.3 | 178 | -24.7 | 34.9 | 0 | 0 | 0 | 112.3 | R432 | P430-R432 PolarHBondContact O-N 3.47Š| ||
| 431 | S | 40.9 | Very low | 61.3 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | trans | -60.3 | 118.9 | -177.5 | 43.6 | 0 | 0 | 0 | 0 | 111.9 | T429 | T429-S431 PolarHBondContact O-N 2.89Š| ||
| 432 | R | 53.8 | Low | 61.8 | Low | 248 Ų | 248 | 94.4 Ų | 94.4 | 94% | 0.936 | 51% | 0.51 | S | S | * | . | trans | -103.2 | -11.7 | 171.6 | -81.9 | -170.5 | 167.1 | -151.9 | -3.4 | 113.9 | P430 | P430-R432 PolarHBondContact O-N 3.47Š| ||
| 433 | V | 57.7 | Low | 62.4 | Low | 50 Ų | 50 | 94.3 Ų | 94.3 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -122 | 130.8 | 176.3 | -175 | 0 | 0 | 0 | 0 | 106 | L418 L438 | L418-V433 HydrophobicContact CD2-CG1 3.97Å; L418-V433 HydrophobicContact CD2-CG2 3.83Å; L418-V433 HydrophobicContact CG-CG2 4.15Å; V433-L438 HydrophobicContact CG1-CB 4.22Å; V433-L438 HydrophobicContact CG1-CD2 4.18Å |
| 434 | D | 64.2 | Low | 63.1 | Low | 81 Ų | 81 | 93.2 Ų | 93.2 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | trans | -92.3 | 127 | 167 | 170.8 | 34.6 | 0 | 0 | 0 | 108.2 | E436 T437 L438 | D434-E436 PolarHBondContact OD1-N 2.94Å; D434-T437 PolarHBondContact O-N 3.21Å; D434-T437 WeakPolarHBondContact OD2-CB 3.49Å; D434-T437 PolarHBondContact OD2-N 2.79Å; D434-T437 VanDerWaalsContact OD2-N 3.09Å; D434-T437 PolarHBondContact OD2-OG1 3.49Å; D434-L438 WeakPolarHBondContact O-CB 3.47Å; D434-L438 PolarHBondContact O-N 2.83Å | ||
| 435 | L | 65.8 | Low | 64.1 | Low | 61 Ų | 61 | 91.5 Ų | 91.5 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.8 | -33.5 | -176.3 | -76.4 | 165.3 | 0 | 0 | 0 | 111.5 | L438 E439 | L435-L438 PolarHBondContact O-N 3.22Å; L435-E439 WeakPolarHBondContact O-CB 3.5Å; L435-E439 PolarHBondContact O-N 2.98Å |
| 436 | E | 69.1 | Low | 65.4 | Low | 142 Ų | 142 | 92.3 Ų | 92.3 | 66% | 0.664 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 176.1 | -63.8 | -175.7 | 174.9 | 0 | 0 | 110.8 | D434 G440 | D434-E436 PolarHBondContact OD1-N 2.94Å; E436-G440 PolarHBondContact O-N 2.69Å |
| 437 | T | 74.2 | Confident | 66.8 | Low | 83 Ų | 83 | 90.8 Ų | 90.8 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 172.5 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | D434 E439 G440 E441 | D434-T437 PolarHBondContact O-N 3.21Å; D434-T437 WeakPolarHBondContact OD2-CB 3.49Å; D434-T437 PolarHBondContact OD2-N 2.79Å; D434-T437 VanDerWaalsContact OD2-N 3.09Å; D434-T437 PolarHBondContact OD2-OG1 3.49Å; T437-E439 VanDerWaalsContact C-N 3.35Å; T437-E439 PolarHBondContact O-N 3.5Å; T437-G440 VanDerWaalsContact O-CA 3.31Å; T437-G440 WeakPolarHBondContact O-CA 3.47Å; T437-G440 PolarHBondContact O-N 3.02Å; T437-E441 PolarHBondContact O-N 3.36Å; T437-E441 VanDerWaalsContact O-N 3.12Å |
| 438 | L | 75.1 | Confident | 68.6 | Low | 8 Ų | 8 | 87.2 Ų | 87.2 | 4% | 0.042 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 179.4 | -169.6 | 70.6 | 0 | 0 | 0 | 111.5 | V415 L418 L419 V433 D434 L435 G440 E441 I442 | V415-L438 HydrophobicContact CG1-CD1 4.46Å; V415-L438 HydrophobicContact CG2-CD1 4.33Å; L418-L438 HydrophobicContact CD2-CD1 3.88Å; L418-L438 HydrophobicContact CD2-CD2 4.3Å; L419-L438 HydrophobicContact CD2-CD2 3.82Å; L419-L438 HydrophobicContact CG-CD2 4.33Å; V433-L438 HydrophobicContact CG1-CB 4.22Å; V433-L438 HydrophobicContact CG1-CD2 4.18Å; D434-L438 WeakPolarHBondContact O-CB 3.47Å; D434-L438 PolarHBondContact O-N 2.83Å; L435-L438 PolarHBondContact O-N 3.22Å; L438-G440 VanDerWaalsContact C-N 3.28Å; L438-G440 PolarHBondContact O-N 3.39Å; L438-E441 PolarHBondContact O-N 3.47Å; L438-I442 HydrophobicContact CG-CD1 4.07Å; L438-I442 VanDerWaalsContact O-CD1 3.3Å; L438-I442 WeakPolarHBondContact O-CD1 3.46Å; L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.43Å; L438-I442 PolarHBondContact O-N 3.37Å |
| 439 | E | 75.1 | Confident | 70.8 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 170.3 | -79.3 | -179.1 | -141.8 | 0 | 0 | 111.8 | L435 T437 E441 I442 K443 H496 G503 S504 | L435-E439 WeakPolarHBondContact O-CB 3.5Å; L435-E439 PolarHBondContact O-N 2.98Å; T437-E439 VanDerWaalsContact C-N 3.35Å; T437-E439 PolarHBondContact O-N 3.5Å; E439-E441 PolarHBondContact O-N 3.47Å; E439-I442 PolarHBondContact O-N 3.19Å; E439-I442 VanDerWaalsContact O-N 3.13Å; E439-K443 VanDerWaalsContact O-CB 3.32Å; E439-K443 WeakPolarHBondContact O-CB 3.38Å; E439-K443 WeakPolarHBondContact O-CD 3.34Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.12Å; E439-H496 IonicContact OE1-CE1 3.35Å; E439-H496 PolarHBondContact OE1-CE1 3.48Å; E439-H496 IonicContact OE1-ND1 3.67Å; E439-H496 IonicContact OE2-CE1 3.27Å; E439-H496 PolarHBondContact OE2-CE1 2.69Å; E439-G503 PolarHBondContact OE1-N 2.87Å; E439-G503 PolarHBondContact OE2-N 2.6Å; E439-S504 PolarHBondContact OE2-N 3.18Å |
| 440 | G | 77.2 | Confident | 72.8 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -48.7 | -52.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E436 T437 L438 I442 K443 E444 | E436-G440 PolarHBondContact O-N 2.69Å; T437-G440 VanDerWaalsContact O-CA 3.31Å; T437-G440 WeakPolarHBondContact O-CA 3.47Å; T437-G440 PolarHBondContact O-N 3.02Å; L438-G440 VanDerWaalsContact C-N 3.28Å; L438-G440 PolarHBondContact O-N 3.39Å; G440-I442 VanDerWaalsContact C-N 3.33Å; G440-I442 PolarHBondContact O-N 3.49Å; G440-K443 WeakPolarHBondContact O-CB 3.49Å; G440-K443 PolarHBondContact O-N 3.06Å; G440-E444 PolarHBondContact O-N 2.92Å |
| 441 | E | 80.5 | Confident | 74.6 | Confident | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 177 | -63.7 | -179 | -159.9 | 0 | 0 | 112.2 | W411 T437 L438 E439 E444 K445 | W411-E441 HydrophobicContact CZ2-CB 4.31Å; T437-E441 PolarHBondContact O-N 3.36Å; T437-E441 VanDerWaalsContact O-N 3.12Å; L438-E441 PolarHBondContact O-N 3.47Å; E439-E441 PolarHBondContact O-N 3.47Å; E441-E444 PolarHBondContact O-N 2.79Å; E441-K445 VanDerWaalsContact O-CB 3.28Å; E441-K445 WeakPolarHBondContact O-CB 3.36Å; E441-K445 WeakPolarHBondContact O-CG 3.44Å; E441-K445 PolarHBondContact O-N 3.41Å |
| 442 | I | 82.2 | Confident | 76.9 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | -180 | -66.3 | 153.3 | 0 | 0 | 0 | 112.1 | W411 V415 L438 E439 G440 E444 K446 W485 I488 I492 | W411-I442 HydrophobicContact CH2-CB 4.23Å; W411-I442 HydrophobicContact CH2-CG1 3.78Å; W411-I442 HydrophobicContact CZ2-CG1 3.92Å; V415-I442 HydrophobicContact CG1-CD1 4.16Å; V415-I442 HydrophobicContact CG1-CG1 4.19Å; L438-I442 HydrophobicContact CG-CD1 4.07Å; L438-I442 VanDerWaalsContact O-CD1 3.3Å; L438-I442 WeakPolarHBondContact O-CD1 3.46Å; L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.43Å; L438-I442 PolarHBondContact O-N 3.37Å; E439-I442 PolarHBondContact O-N 3.19Å; E439-I442 VanDerWaalsContact O-N 3.13Å; G440-I442 VanDerWaalsContact C-N 3.33Å; G440-I442 PolarHBondContact O-N 3.49Å; I442-E444 VanDerWaalsContact C-N 3.31Å; I442-E444 PolarHBondContact O-N 2.9Å; I442-K446 WeakPolarHBondContact O-CB 3.28Å; I442-K446 PolarHBondContact O-N 3.44Å; I442-W485 HydrophobicContact CG2-CH2 3.75Å; I442-W485 HydrophobicContact CG2-CZ3 3.89Å; I442-I488 HydrophobicContact CG1-CG2 4.48Å; I442-I488 HydrophobicContact CG2-CG2 4.44Å; I442-I492 HydrophobicContact CB-CD1 4.49Å; I442-I492 HydrophobicContact CD1-CD1 3.58Å; I442-I492 HydrophobicContact CD1-CG1 4.19Å; I442-I492 HydrophobicContact CG1-CD1 4.3Å; I442-I492 HydrophobicContact CG2-CD1 3.73Å |
| 443 | K | 81.5 | Confident | 78.2 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 174.5 | -78.9 | 160.6 | 160.4 | -82.8 | 0 | 112.2 | E439 G440 S504 A505 E506 | E439-K443 VanDerWaalsContact O-CB 3.32Å; E439-K443 WeakPolarHBondContact O-CB 3.38Å; E439-K443 WeakPolarHBondContact O-CD 3.34Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.12Å; G440-K443 WeakPolarHBondContact O-CB 3.49Å; G440-K443 PolarHBondContact O-N 3.06Å; K443-S504 VanDerWaalsContact CE-O 3.23Å; K443-S504 WeakPolarHBondContact CE-O 3.49Å; K443-S504 WeakPolarHBondContact CE-OG 3.46Å; K443-S504 WeakPolarHBondContact CG-O 3.47Å; K443-S504 PolarHBondContact NZ-OG 2.69Å; K443-A505 PolarHBondContact NZ-O 3.48Å; K443-E506 VanDerWaalsContact CD-O 3.31Å; K443-E506 WeakPolarHBondContact CD-O 3.48Å; K443-E506 VanDerWaalsContact CG-O 3.26Å; K443-E506 WeakPolarHBondContact CG-O 3.4Å; K443-E506 PolarHBondContact NZ-O 3.18Å |
| 444 | E | 81.3 | Confident | 79.5 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.6 | -51.6 | -179.8 | -171.6 | 164.3 | -136.3 | 0 | 0 | 110.5 | G440 E441 I442 K446 K447 | G440-E444 PolarHBondContact O-N 2.92Å; E441-E444 PolarHBondContact O-N 2.79Å; I442-E444 VanDerWaalsContact C-N 3.31Å; I442-E444 PolarHBondContact O-N 2.9Å; E444-K446 PolarHBondContact O-N 3.49Å; E444-K447 WeakPolarHBondContact O-CB 3.29Å; E444-K447 PolarHBondContact O-N 3.35Å |
| 445 | K | 84.6 | Confident | 80.4 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -23 | 178.8 | -74.4 | -74.3 | -179.4 | -153.7 | 0 | 114.2 | L408 W411 E441 K447 E448 I449 | L408-K445 HydrophobicContact CD2-CD 4.09Å; W411-K445 HydrophobicContact CD2-CB 4.14Å; W411-K445 HydrophobicContact CD2-CD 4.15Å; W411-K445 HydrophobicContact CD2-CG 3.76Å; W411-K445 HydrophobicContact CE3-CB 3.89Å; W411-K445 HydrophobicContact CE3-CD 4.39Å; W411-K445 HydrophobicContact CE3-CG 4.03Å; W411-K445 HydrophobicContact CG-CD 4.37Å; W411-K445 HydrophobicContact CG-CG 4.35Å; W411-K445 HydrophobicContact CH2-CB 3.57Å; W411-K445 HydrophobicContact CH2-CG 4.09Å; W411-K445 HydrophobicContact CZ2-CB 3.77Å; W411-K445 HydrophobicContact CZ2-CG 3.77Å; W411-K445 HydrophobicContact CZ3-CB 3.62Å; W411-K445 HydrophobicContact CZ3-CG 4.19Å; E441-K445 VanDerWaalsContact O-CB 3.28Å; E441-K445 WeakPolarHBondContact O-CB 3.36Å; E441-K445 WeakPolarHBondContact O-CG 3.44Å; E441-K445 PolarHBondContact O-N 3.41Å; K445-K447 PolarHBondContact O-N 2.89Å; K445-E448 WeakPolarHBondContact CD-OE1 3.38Å; K445-E448 VanDerWaalsContact CD-OE2 3.3Å; K445-E448 WeakPolarHBondContact CD-OE2 3.43Å; K445-E448 WeakPolarHBondContact CE-OE1 3.48Å; K445-E448 IonicContact NZ-OE1 3.52Å; K445-E448 PolarHBondContact NZ-OE1 3.15Å; K445-E448 IonicContact NZ-OE2 3.65Å; K445-E448 PolarHBondContact NZ-OE2 3.01Å; K445-E448 PolarHBondContact O-N 3.21Å; K445-I449 WeakPolarHBondContact O-CG1 3.34Å; K445-I449 PolarHBondContact O-N 3.48Å |
| 446 | K | 83.9 | Confident | 81.3 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.6 | -40.3 | 167.5 | 176.2 | 169.6 | 177.4 | -177.3 | 0 | 111.8 | I442 E444 E448 I449 D450 W485 | I442-K446 WeakPolarHBondContact O-CB 3.28Å; I442-K446 PolarHBondContact O-N 3.44Å; E444-K446 PolarHBondContact O-N 3.49Å; K446-E448 PolarHBondContact O-N 3.01Å; K446-I449 PolarHBondContact O-N 3.28Å; K446-D450 WeakPolarHBondContact CE-OD2 3.21Å; K446-D450 WeakPolarHBondContact CG-OD2 3.46Å; K446-D450 WeakPolarHBondContact O-CB 3.41Å; K446-D450 VanDerWaalsContact O-CG 3.27Å; K446-D450 PolarHBondContact O-N 2.89Å; K446-W485 HydrophobicContact CB-CH2 3.83Å; K446-W485 HydrophobicContact CB-CZ2 3.72Å; K446-W485 HydrophobicContact CD-CZ2 4.34Å; K446-W485 HydrophobicContact CG-CH2 4.48Å; K446-W485 HydrophobicContact CG-CZ2 3.88Å |
| 447 | K | 83.9 | Confident | 82 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | -178.1 | -61.7 | -171.7 | 169.7 | -148.4 | 0 | 112.6 | E444 K445 I449 D450 A451 | E444-K447 WeakPolarHBondContact O-CB 3.29Å; E444-K447 PolarHBondContact O-N 3.35Å; K445-K447 PolarHBondContact O-N 2.89Å; K447-I449 VanDerWaalsContact C-N 3.34Å; K447-D450 PolarHBondContact O-N 3.24Å; K447-A451 VanDerWaalsContact O-CB 3.31Å; K447-A451 WeakPolarHBondContact O-CB 3.5Å; K447-A451 PolarHBondContact O-N 3.4Å |
| 448 | E | 85.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.1 | -64.7 | 176 | -146.9 | 0 | 0 | 111.1 | L408 K445 K446 A451 F452 | L408-E448 HydrophobicContact CD1-CB 4.34Å; L408-E448 HydrophobicContact CD2-CB 3.82Å; L408-E448 WeakPolarHBondContact CD2-OE2 3.48Å; K445-E448 WeakPolarHBondContact CD-OE1 3.38Å; K445-E448 VanDerWaalsContact CD-OE2 3.3Å; K445-E448 WeakPolarHBondContact CD-OE2 3.43Å; K445-E448 WeakPolarHBondContact CE-OE1 3.48Å; K445-E448 IonicContact NZ-OE1 3.52Å; K445-E448 PolarHBondContact NZ-OE1 3.15Å; K445-E448 IonicContact NZ-OE2 3.65Å; K445-E448 PolarHBondContact NZ-OE2 3.01Å; K445-E448 PolarHBondContact O-N 3.21Å; K446-E448 PolarHBondContact O-N 3.01Å; E448-A451 PolarHBondContact O-N 3.19Å; E448-F452 WeakPolarHBondContact O-CB 3.48Å; E448-F452 PolarHBondContact O-N 3.32Å |
| 449 | I | 84.2 | Confident | 82.9 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68 | -40.8 | 175.2 | -66.5 | 170.9 | 0 | 0 | 0 | 111.6 | L408 W411 T412 K445 K446 K447 F452 A453 W485 | L408-I449 HydrophobicContact CD1-CG1 4.01Å; L408-I449 HydrophobicContact CD2-CG1 3.92Å; L408-I449 HydrophobicContact CG-CG1 4.41Å; W411-I449 HydrophobicContact CZ3-CD1 4.32Å; T412-I449 HydrophobicContact CG2-CD1 3.96Å; K445-I449 WeakPolarHBondContact O-CG1 3.34Å; K445-I449 PolarHBondContact O-N 3.48Å; K446-I449 PolarHBondContact O-N 3.28Å; K447-I449 VanDerWaalsContact C-N 3.34Å; I449-F452 PolarHBondContact O-N 3.17Å; I449-A453 VanDerWaalsContact O-CB 3.28Å; I449-A453 WeakPolarHBondContact O-CB 3.4Å; I449-A453 PolarHBondContact O-N 2.78Å; I449-W485 HydrophobicContact CD1-CB 4.49Å; I449-W485 HydrophobicContact CD1-CD2 3.46Å; I449-W485 VanDerWaalsContact CD1-CD2 3.46Å; I449-W485 HydrophobicContact CD1-CE3 3.38Å; I449-W485 HydrophobicContact CD1-CG 3.97Å; I449-W485 HydrophobicContact CD1-CH2 4.12Å; I449-W485 HydrophobicContact CD1-CZ2 4.18Å; I449-W485 HydrophobicContact CD1-CZ3 3.73Å; I449-W485 HydrophobicContact CG2-CD2 4.45Å; I449-W485 HydrophobicContact CG2-CG 4.24Å |
| 450 | D | 82.9 | Confident | 83.1 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 175.6 | -68.5 | -22.9 | 0 | 0 | 0 | 111 | K446 K447 S454 | K446-D450 WeakPolarHBondContact CE-OD2 3.21Å; K446-D450 WeakPolarHBondContact CG-OD2 3.46Å; K446-D450 WeakPolarHBondContact O-CB 3.41Å; K446-D450 VanDerWaalsContact O-CG 3.27Å; K446-D450 PolarHBondContact O-N 2.89Å; K447-D450 PolarHBondContact O-N 3.24Å; D450-S454 PolarHBondContact O-N 2.9Å; D450-S454 VanDerWaalsContact O-N 3.11Å; D450-S454 PolarHBondContact O-OG 3.5Å |
| 451 | A | 83.3 | Confident | 83.2 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K447 E448 S454 L455 | K447-A451 VanDerWaalsContact O-CB 3.31Å; K447-A451 WeakPolarHBondContact O-CB 3.5Å; K447-A451 PolarHBondContact O-N 3.4Å; E448-A451 PolarHBondContact O-N 3.19Å; A451-S454 WeakPolarHBondContact O-CA 3.46Å; A451-S454 WeakPolarHBondContact O-CB 3.22Å; A451-S454 PolarHBondContact O-N 2.88Å; A451-S454 VanDerWaalsContact O-N 3.13Å; A451-L455 PolarHBondContact O-N 3.2Å |
| 452 | F | 88.8 | Confident | 83.1 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175 | 177.3 | -94.6 | 0 | 0 | 0 | 111.8 | F401 D404 L405 L408 E448 I449 S454 L455 Y456 V478 L481 | F401-F452 HydrophobicContact CD2-CD2 4.28Å; F401-F452 AromaticContact CD2-CE2 3.4Å; F401-F452 HydrophobicContact CD2-CE2 3.4Å; F401-F452 VanDerWaalsContact CD2-CE2 3.4Å; F401-F452 AromaticContact CD2-CZ 3.82Å; F401-F452 HydrophobicContact CD2-CZ 3.82Å; F401-F452 HydrophobicContact CE2-CD2 4.48Å; F401-F452 HydrophobicContact CE2-CE1 4.29Å; F401-F452 AromaticContact CE2-CE2 3.41Å; F401-F452 HydrophobicContact CE2-CE2 3.41Å; F401-F452 VanDerWaalsContact CE2-CE2 3.41Å; F401-F452 AromaticContact CE2-CZ 3.28Å; F401-F452 HydrophobicContact CE2-CZ 3.28Å; F401-F452 HydrophobicContact CG-CE2 4.13Å; F401-F452 HydrophobicContact CZ-CE2 4.14Å; F401-F452 AromaticContact CZ-CZ 3.75Å; F401-F452 HydrophobicContact CZ-CZ 3.75Å; D404-F452 HydrophobicContact CB-CD2 3.76Å; D404-F452 HydrophobicContact CB-CE2 4.31Å; L405-F452 HydrophobicContact CB-CE2 3.65Å; L405-F452 HydrophobicContact CB-CZ 3.69Å; L405-F452 HydrophobicContact CD1-CE1 4.1Å; L405-F452 HydrophobicContact CD1-CE2 4.5Å; L405-F452 HydrophobicContact CD1-CZ 3.72Å; L405-F452 HydrophobicContact CD2-CZ 4.31Å; L405-F452 HydrophobicContact CG-CZ 4.1Å; L408-F452 HydrophobicContact CD1-CB 3.7Å; L408-F452 HydrophobicContact CD1-CD2 4.48Å; L408-F452 HydrophobicContact CD1-CG 4.02Å; E448-F452 WeakPolarHBondContact O-CB 3.48Å; E448-F452 PolarHBondContact O-N 3.32Å; I449-F452 PolarHBondContact O-N 3.17Å; F452-S454 VanDerWaalsContact C-N 3.25Å; F452-S454 PolarHBondContact O-N 3.28Å; F452-L455 PolarHBondContact O-N 3.21Å; F452-Y456 WeakPolarHBondContact O-CB 3.34Å; F452-Y456 PolarHBondContact O-N 3.32Å; F452-V478 HydrophobicContact CE1-CG1 4.35Å; F452-V478 HydrophobicContact CE1-CG2 3.96Å; F452-V478 HydrophobicContact CZ-CG2 3.92Å; F452-L481 HydrophobicContact CD1-CD2 3.65Å; F452-L481 HydrophobicContact CE1-CD2 3.67Å; F452-L481 HydrophobicContact CG-CD2 4.41Å; F452-L481 HydrophobicContact CZ-CD2 4.44Å |
| 453 | A | 82.1 | Confident | 82.8 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | I449 S457 | I449-A453 VanDerWaalsContact O-CB 3.28Å; I449-A453 WeakPolarHBondContact O-CB 3.4Å; I449-A453 PolarHBondContact O-N 2.78Å; A453-S457 VanDerWaalsContact O-CB 3.28Å; A453-S457 WeakPolarHBondContact O-CB 3.49Å; A453-S457 PolarHBondContact O-N 3.38Å |
| 454 | S | 83.5 | Confident | 82.5 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 112 | D450 A451 F452 S457 A458 | D450-S454 PolarHBondContact O-N 2.9Å; D450-S454 VanDerWaalsContact O-N 3.11Å; D450-S454 PolarHBondContact O-OG 3.5Å; A451-S454 WeakPolarHBondContact O-CA 3.46Å; A451-S454 WeakPolarHBondContact O-CB 3.22Å; A451-S454 PolarHBondContact O-N 2.88Å; A451-S454 VanDerWaalsContact O-N 3.13Å; F452-S454 VanDerWaalsContact C-N 3.25Å; F452-S454 PolarHBondContact O-N 3.28Å; S454-S457 PolarHBondContact O-N 3.18Å; S454-A458 PolarHBondContact O-N 3.2Å |
| 455 | L | 84.7 | Confident | 82.1 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.6 | -179.6 | 60.1 | 0 | 0 | 0 | 111.9 | F401 A451 F452 A458 F459 | F401-L455 HydrophobicContact CB-CD2 3.96Å; F401-L455 HydrophobicContact CD2-CD2 4.23Å; F401-L455 HydrophobicContact CD2-CG 4.33Å; A451-L455 PolarHBondContact O-N 3.2Å; F452-L455 PolarHBondContact O-N 3.21Å; L455-A458 WeakPolarHBondContact O-CB 3.39Å; L455-A458 PolarHBondContact O-N 2.89Å; L455-F459 HydrophobicContact CD1-CE1 4.32Å; L455-F459 HydrophobicContact CD1-CE2 4.19Å; L455-F459 HydrophobicContact CD1-CZ 3.98Å; L455-F459 HydrophobicContact CG-CE2 4.1Å; L455-F459 HydrophobicContact CG-CZ 4.38Å; L455-F459 PolarHBondContact O-N 3.23Å |
| 456 | Y | 84.9 | Confident | 81.3 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174 | -177.7 | -115.7 | 0 | 0 | 0 | 111.5 | F401 F452 A458 F459 C460 L470 T474 V478 | F401-Y456 AromaticContact CE2-CD2 3.86Å; F401-Y456 HydrophobicContact CE2-CD2 3.86Å; F401-Y456 HydrophobicContact CE2-CG 4.46Å; F401-Y456 HydrophobicContact CZ-CD2 4.01Å; F452-Y456 WeakPolarHBondContact O-CB 3.34Å; F452-Y456 PolarHBondContact O-N 3.32Å; Y456-A458 VanDerWaalsContact C-N 3.27Å; Y456-A458 PolarHBondContact O-N 3.07Å; Y456-F459 PolarHBondContact O-N 2.9Å; Y456-F459 VanDerWaalsContact O-N 3.15Å; Y456-C460 VanDerWaalsContact CE1-SG 3.56Å; Y456-C460 VanDerWaalsContact CZ-SG 3.53Å; Y456-C460 PolarHBondContact O-N 3.1Å; Y456-C460 PolarHBondContact O-SG 2.91Å; Y456-L470 HydrophobicContact CE2-CD1 4.02Å; Y456-T474 HydrophobicContact CE2-CG2 4.15Å; Y456-V478 HydrophobicContact CD1-CG1 3.9Å; Y456-V478 HydrophobicContact CD2-CG1 4.44Å; Y456-V478 HydrophobicContact CD2-CG2 3.79Å; Y456-V478 HydrophobicContact CE1-CG1 3.83Å; Y456-V478 HydrophobicContact CE2-CB 4.3Å; Y456-V478 HydrophobicContact CE2-CG1 4.37Å; Y456-V478 HydrophobicContact CE2-CG2 3.78Å; Y456-V478 HydrophobicContact CG-CG1 4.2Å; Y456-V478 HydrophobicContact CG-CG2 4.25Å |
| 457 | S | 82.5 | Confident | 80.4 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 49% | 0.49 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 176 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | A453 S454 Q461 | A453-S457 VanDerWaalsContact O-CB 3.28Å; A453-S457 WeakPolarHBondContact O-CB 3.49Å; A453-S457 PolarHBondContact O-N 3.38Å; S454-S457 PolarHBondContact O-N 3.18Å; S457-Q461 WeakPolarHBondContact O-CB 3.39Å; S457-Q461 PolarHBondContact O-N 3.33Å |
| 458 | A | 82.9 | Confident | 79.5 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S454 L455 Y456 Q461 E462 | S454-A458 PolarHBondContact O-N 3.2Å; L455-A458 WeakPolarHBondContact O-CB 3.39Å; L455-A458 PolarHBondContact O-N 2.89Å; Y456-A458 VanDerWaalsContact C-N 3.27Å; Y456-A458 PolarHBondContact O-N 3.07Å; A458-Q461 PolarHBondContact O-N 2.94Å; A458-E462 WeakPolarHBondContact O-CB 3.47Å; A458-E462 PolarHBondContact O-N 3.34Å |
| 459 | F | 84.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 172.7 | -67.8 | -29.3 | 0 | 0 | 0 | 112.7 | P315 T316 A397 F401 L455 Y456 Q461 E462 V463 | P315-F459 HydrophobicContact CB-CD1 3.72Å; P315-F459 HydrophobicContact CB-CE1 3.93Å; P315-F459 HydrophobicContact CB-CG 4.31Å; P315-F459 HydrophobicContact CG-CB 3.99Å; P315-F459 HydrophobicContact CG-CD1 3.81Å; P315-F459 HydrophobicContact CG-CG 4.02Å; T316-F459 HydrophobicContact CG2-CB 4.31Å; T316-F459 HydrophobicContact CG2-CD2 3.41Å; T316-F459 VanDerWaalsContact CG2-CD2 3.41Å; T316-F459 HydrophobicContact CG2-CE2 3.84Å; T316-F459 HydrophobicContact CG2-CG 4.06Å; A397-F459 HydrophobicContact CB-CE1 4.38Å; A397-F459 HydrophobicContact CB-CZ 4.07Å; F401-F459 HydrophobicContact CB-CE2 3.73Å; F401-F459 HydrophobicContact CB-CZ 4.47Å; F401-F459 HydrophobicContact CD1-CE2 4.45Å; F401-F459 AromaticContact CD2-CD2 3.95Å; F401-F459 HydrophobicContact CD2-CD2 3.95Å; F401-F459 AromaticContact CD2-CE2 3.75Å; F401-F459 HydrophobicContact CD2-CE2 3.75Å; F401-F459 HydrophobicContact CE2-CD2 4.27Å; F401-F459 HydrophobicContact CE2-CE2 4.5Å; F401-F459 HydrophobicContact CG-CD2 4.27Å; F401-F459 AromaticContact CG-CE2 3.73Å; F401-F459 HydrophobicContact CG-CE2 3.73Å; L455-F459 HydrophobicContact CD1-CE1 4.32Å; L455-F459 HydrophobicContact CD1-CE2 4.19Å; L455-F459 HydrophobicContact CD1-CZ 3.98Å; L455-F459 HydrophobicContact CG-CE2 4.1Å; L455-F459 HydrophobicContact CG-CZ 4.38Å; L455-F459 PolarHBondContact O-N 3.23Å; Y456-F459 PolarHBondContact O-N 2.9Å; Y456-F459 VanDerWaalsContact O-N 3.15Å; F459-Q461 VanDerWaalsContact C-N 3.28Å; F459-Q461 PolarHBondContact O-N 3.23Å; F459-E462 PolarHBondContact O-N 3.05Å; F459-V463 VanDerWaalsContact O-CB 3.28Å; F459-V463 WeakPolarHBondContact O-CB 3.42Å; F459-V463 VanDerWaalsContact O-CG2 3.22Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.45Å |
| 460 | C | 80.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 65 Ų | 65 | 24% | 0.243 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 173.4 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | Y456 S464 L470 | Y456-C460 VanDerWaalsContact CE1-SG 3.56Å; Y456-C460 VanDerWaalsContact CZ-SG 3.53Å; Y456-C460 PolarHBondContact O-N 3.1Å; Y456-C460 PolarHBondContact O-SG 2.91Å; C460-S464 WeakPolarHBondContact O-CB 3.21Å; C460-S464 PolarHBondContact O-N 2.75Å; C460-S464 VanDerWaalsContact O-N 3.08Å; C460-L470 HydrophobicContact CB-CD1 4.47Å; C460-L470 VanDerWaalsContact SG-CD1 3.57Å |
| 461 | Q | 79.6 | Confident | 77.7 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 175.6 | -178 | 176.1 | -17.1 | 0 | 0 | 111.4 | S457 A458 F459 V463 S464 E465 | S457-Q461 WeakPolarHBondContact O-CB 3.39Å; S457-Q461 PolarHBondContact O-N 3.33Å; A458-Q461 PolarHBondContact O-N 2.94Å; F459-Q461 VanDerWaalsContact C-N 3.28Å; F459-Q461 PolarHBondContact O-N 3.23Å; Q461-V463 VanDerWaalsContact C-N 3.31Å; Q461-V463 PolarHBondContact O-N 2.78Å; Q461-S464 CarbonylContact O-C 3.43Å; Q461-S464 WeakPolarHBondContact O-CA 3.48Å; Q461-S464 WeakPolarHBondContact O-CB 3.33Å; Q461-S464 PolarHBondContact O-N 3.35Å; Q461-S464 VanDerWaalsContact O-N 3.09Å; Q461-E465 HydrophobicContact CG-CG 4.43Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.47Å; Q461-E465 PolarHBondContact NE2-OE1 3.05Å; Q461-E465 WeakPolarHBondContact O-CG 3.43Å; Q461-E465 PolarHBondContact O-N 3.03Å |
| 462 | E | 76.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 179.8 | -177.7 | 166 | -126.9 | 0 | 0 | 112.5 | K394 A458 F459 E465 N466 | K394-E462 VanDerWaalsContact CE-OE1 3.23Å; K394-E462 WeakPolarHBondContact CE-OE1 3.4Å; K394-E462 WeakPolarHBondContact CE-OE2 3.27Å; K394-E462 IonicContact NZ-OE1 3.39Å; K394-E462 PolarHBondContact NZ-OE1 3.31Å; K394-E462 IonicContact NZ-OE2 3.41Å; K394-E462 PolarHBondContact NZ-OE2 3.16Å; A458-E462 WeakPolarHBondContact O-CB 3.47Å; A458-E462 PolarHBondContact O-N 3.34Å; F459-E462 PolarHBondContact O-N 3.05Å; E462-E465 PolarHBondContact O-N 3.4Å; E462-N466 PolarHBondContact O-N 3.38Å; E462-N466 PolarHBondContact O-ND2 3.14Å |
| 463 | V | 77.4 | Confident | 76.6 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 7% | 0.073 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 173 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | P315 F459 Q461 E465 N466 D467 A468 L470 | P315-V463 HydrophobicContact CG-CG2 3.72Å; F459-V463 VanDerWaalsContact O-CB 3.28Å; F459-V463 WeakPolarHBondContact O-CB 3.42Å; F459-V463 VanDerWaalsContact O-CG2 3.22Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.45Å; Q461-V463 VanDerWaalsContact C-N 3.31Å; Q461-V463 PolarHBondContact O-N 2.78Å; V463-E465 VanDerWaalsContact C-N 3.28Å; V463-E465 PolarHBondContact O-N 2.83Å; V463-N466 PolarHBondContact O-N 2.92Å; V463-D467 PolarHBondContact O-N 2.89Å; V463-A468 HydrophobicContact CB-CB 4.44Å; V463-A468 VanDerWaalsContact CG1-C 3.46Å; V463-A468 HydrophobicContact CG1-CB 4.01Å; V463-A468 WeakPolarHBondContact CG1-O 3.39Å; V463-A468 HydrophobicContact CG2-CB 4.38Å; V463-A468 PolarHBondContact O-N 3.11Å; V463-A468 VanDerWaalsContact O-N 3.15Å; V463-L470 HydrophobicContact CB-CG 4.46Å; V463-L470 HydrophobicContact CG1-CG 4.28Å; V463-L470 HydrophobicContact CG2-CD2 3.96Å; V463-L470 HydrophobicContact CG2-CG 4.02Å |
| 464 | S | 73.9 | Confident | 76.5 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 67% | 0.671 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.5 | -15.6 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 114.4 | C460 Q461 | C460-S464 WeakPolarHBondContact O-CB 3.21Å; C460-S464 PolarHBondContact O-N 2.75Å; C460-S464 VanDerWaalsContact O-N 3.08Å; Q461-S464 CarbonylContact O-C 3.43Å; Q461-S464 WeakPolarHBondContact O-CA 3.48Å; Q461-S464 WeakPolarHBondContact O-CB 3.33Å; Q461-S464 PolarHBondContact O-N 3.35Å; Q461-S464 VanDerWaalsContact O-N 3.09Å |
| 465 | E | 74.5 | Confident | 76.2 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -92.6 | -10.1 | 176 | -75.7 | 177.1 | -169.9 | 0 | 0 | 112.7 | Q461 E462 V463 | Q461-E465 HydrophobicContact CG-CG 4.43Å; Q461-E465 WeakPolarHBondContact CG-OE1 3.47Å; Q461-E465 PolarHBondContact NE2-OE1 3.05Å; Q461-E465 WeakPolarHBondContact O-CG 3.43Å; Q461-E465 PolarHBondContact O-N 3.03Å; E462-E465 PolarHBondContact O-N 3.4Å; V463-E465 VanDerWaalsContact C-N 3.28Å; V463-E465 PolarHBondContact O-N 2.83Å |
| 466 | N | 66.9 | Low | 75.9 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 15.2 | -176 | -67.3 | -87.2 | 0 | 0 | 0 | 114.1 | E462 V463 A468 | E462-N466 PolarHBondContact O-N 3.38Å; E462-N466 PolarHBondContact O-ND2 3.14Å; V463-N466 PolarHBondContact O-N 2.92Å; N466-A468 PolarHBondContact O-N 3.06Å; N466-A468 VanDerWaalsContact O-N 3.12Å |
| 467 | D | 65.5 | Low | 75.7 | Confident | 150 Ų | 150 | 70.3 Ų | 70.3 | 80% | 0.802 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 35.7 | -175.6 | -77.8 | -30.7 | 0 | 0 | 0 | 114.1 | V463 | V463-D467 PolarHBondContact O-N 2.89Š|
| 468 | A | 64.8 | Low | 75.9 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | trans | -91.4 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P312 V463 N466 | P312-A468 HydrophobicContact CB-CB 4.33Å; V463-A468 HydrophobicContact CB-CB 4.44Å; V463-A468 VanDerWaalsContact CG1-C 3.46Å; V463-A468 HydrophobicContact CG1-CB 4.01Å; V463-A468 WeakPolarHBondContact CG1-O 3.39Å; V463-A468 HydrophobicContact CG2-CB 4.38Å; V463-A468 PolarHBondContact O-N 3.11Å; V463-A468 VanDerWaalsContact O-N 3.15Å; N466-A468 PolarHBondContact O-N 3.06Å; N466-A468 VanDerWaalsContact O-N 3.12Å | ||
| 469 | F | 69.8 | Low | 75.8 | Confident | 178 Ų | 178 | 69.4 Ų | 69.4 | 78% | 0.781 | 37% | 0.365 | S | S | * | . | trans | -128.7 | 141.3 | 169.6 | -66.8 | -87 | 0 | 0 | 0 | 110.1 | ||||
| 470 | L | 73.1 | Confident | 75.7 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | trans | -75.4 | 138.3 | 168.5 | -73.3 | 164.9 | 0 | 0 | 0 | 109.6 | T316 Y456 C460 V463 E472 T474 E475 | T316-L470 HydrophobicContact CG2-CD2 3.78Å; Y456-L470 HydrophobicContact CE2-CD1 4.02Å; C460-L470 HydrophobicContact CB-CD1 4.47Å; C460-L470 VanDerWaalsContact SG-CD1 3.57Å; V463-L470 HydrophobicContact CB-CG 4.46Å; V463-L470 HydrophobicContact CG1-CG 4.28Å; V463-L470 HydrophobicContact CG2-CD2 3.96Å; V463-L470 HydrophobicContact CG2-CG 4.02Å; L470-E472 PolarHBondContact O-N 3.38Å; L470-T474 HydrophobicContact CD2-CG2 4.43Å; L470-E475 HydrophobicContact CB-CG 4.36Å | ||
| 471 | G | 71.3 | Confident | 76 | Confident | 28 Ų | 28 | 71 Ų | 71 | 29% | 0.289 | 37% | 0.374 | S | S | . | . | trans | -60.1 | 135.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D314 A473 T474 E475 | D314-G471 PolarHBondContact OD2-N 2.9Å; G471-A473 PolarHBondContact O-N 3.18Å; G471-T474 WeakPolarHBondContact O-CA 3.37Å; G471-T474 VanDerWaalsContact O-CB 3.27Å; G471-T474 WeakPolarHBondContact O-CB 3.44Å; G471-T474 PolarHBondContact O-N 2.91Å; G471-E475 PolarHBondContact O-N 3.43Å; G471-E475 VanDerWaalsContact O-N 3.15Å | ||
| 472 | E | 73.3 | Confident | 76.2 | Confident | 122 Ų | 122 | 68.3 Ų | 68.3 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.7 | -22 | 177.6 | -164 | -157.5 | -157 | 0 | 0 | 112.3 | L470 R476 | L470-E472 PolarHBondContact O-N 3.38Å; E472-R476 VanDerWaalsContact CD-CZ 3.45Å; E472-R476 VanDerWaalsContact O-CB 3.31Å; E472-R476 WeakPolarHBondContact O-CB 3.36Å; E472-R476 VanDerWaalsContact O-CG 3.24Å; E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 2.98Å; E472-R476 VanDerWaalsContact O-N 3.14Å; E472-R476 PolarHBondContact O-NE 3.26Å; E472-R476 IonicContact OE1-NH1 2.9Å; E472-R476 IonicContact OE2-CZ 2.6Å; E472-R476 IonicContact OE2-NE 3.21Å; E472-R476 IonicContact OE2-NH1 3.76Å; E472-R476 PolarHBondContact OE2-NH1 3.16Å; E472-R476 VanDerWaalsContact OE2-NH1 3.11Å; E472-R476 IonicContact OE2-NH2 2.63Å; E472-R476 PolarHBondContact OE2-NH2 2.93Å |
| 473 | A | 75.2 | Confident | 76.6 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 49% | 0.488 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | G471 G477 | G471-A473 PolarHBondContact O-N 3.18Å; A473-G477 PolarHBondContact O-N 2.83Å |
| 474 | T | 79.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -53 | 173.2 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | T316 F401 W402 Y456 L470 G471 R476 G477 V478 | T316-T474 HydrophobicContact CG2-CG2 3.97Å; T316-T474 WeakPolarHBondContact OG1-CG2 3.14Å; T316-T474 PolarHBondContact OG1-OG1 3.12Å; F401-T474 HydrophobicContact CE1-CG2 3.8Å; F401-T474 HydrophobicContact CZ-CG2 3.71Å; W402-T474 WeakPolarHBondContact CZ2-OG1 3.39Å; Y456-T474 HydrophobicContact CE2-CG2 4.15Å; L470-T474 HydrophobicContact CD2-CG2 4.43Å; G471-T474 WeakPolarHBondContact O-CA 3.37Å; G471-T474 VanDerWaalsContact O-CB 3.27Å; G471-T474 WeakPolarHBondContact O-CB 3.44Å; G471-T474 PolarHBondContact O-N 2.91Å; T474-R476 PolarHBondContact O-N 3.42Å; T474-G477 PolarHBondContact O-N 2.97Å; T474-G477 VanDerWaalsContact O-N 3.12Å; T474-V478 WeakPolarHBondContact O-CG2 3.2Å; T474-V478 PolarHBondContact O-N 3.2Å |
| 475 | E | 78.2 | Confident | 77.6 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 178.6 | -63.6 | -168.4 | 141.6 | 0 | 0 | 111.7 | L470 G471 G477 V478 Q479 | L470-E475 HydrophobicContact CB-CG 4.36Å; G471-E475 PolarHBondContact O-N 3.43Å; G471-E475 VanDerWaalsContact O-N 3.15Å; E475-G477 PolarHBondContact O-N 3Å; E475-V478 PolarHBondContact O-N 3.35Å; E475-Q479 WeakPolarHBondContact O-CB 3.21Å; E475-Q479 PolarHBondContact O-N 2.78Å |
| 476 | R | 79.2 | Confident | 78 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 176.7 | -77.2 | 178 | -66 | -162.1 | -7 | 112.8 | E472 T474 V480 | E472-R476 VanDerWaalsContact CD-CZ 3.45Å; E472-R476 VanDerWaalsContact O-CB 3.31Å; E472-R476 WeakPolarHBondContact O-CB 3.36Å; E472-R476 VanDerWaalsContact O-CG 3.24Å; E472-R476 WeakPolarHBondContact O-CG 3.28Å; E472-R476 PolarHBondContact O-N 2.98Å; E472-R476 VanDerWaalsContact O-N 3.14Å; E472-R476 PolarHBondContact O-NE 3.26Å; E472-R476 IonicContact OE1-NH1 2.9Å; E472-R476 IonicContact OE2-CZ 2.6Å; E472-R476 IonicContact OE2-NE 3.21Å; E472-R476 IonicContact OE2-NH1 3.76Å; E472-R476 PolarHBondContact OE2-NH1 3.16Å; E472-R476 VanDerWaalsContact OE2-NH1 3.11Å; E472-R476 IonicContact OE2-NH2 2.63Å; E472-R476 PolarHBondContact OE2-NH2 2.93Å; T474-R476 PolarHBondContact O-N 3.42Å; R476-V480 WeakPolarHBondContact O-CB 3.47Å; R476-V480 VanDerWaalsContact O-CG2 3.29Å; R476-V480 WeakPolarHBondContact O-CG2 3.33Å; R476-V480 PolarHBondContact O-N 3.12Å |
| 477 | G | 80.7 | Confident | 78.6 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 19% | 0.186 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -52.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A473 T474 E475 Q479 V480 L481 | A473-G477 PolarHBondContact O-N 2.83Å; T474-G477 PolarHBondContact O-N 2.97Å; T474-G477 VanDerWaalsContact O-N 3.12Å; E475-G477 PolarHBondContact O-N 3Å; G477-Q479 PolarHBondContact O-N 3.42Å; G477-V480 PolarHBondContact O-N 3.08Å; G477-L481 PolarHBondContact O-N 2.84Å |
| 478 | V | 85.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.6 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | F401 L405 F452 Y456 T474 E475 V480 L481 L482 | F401-V478 HydrophobicContact CE2-CG2 4.39Å; F401-V478 HydrophobicContact CZ-CG2 3.85Å; L405-V478 HydrophobicContact CD1-CG2 4.35Å; L405-V478 HydrophobicContact CD2-CG2 4.26Å; F452-V478 HydrophobicContact CE1-CG1 4.35Å; F452-V478 HydrophobicContact CE1-CG2 3.96Å; F452-V478 HydrophobicContact CZ-CG2 3.92Å; Y456-V478 HydrophobicContact CD1-CG1 3.9Å; Y456-V478 HydrophobicContact CD2-CG1 4.44Å; Y456-V478 HydrophobicContact CD2-CG2 3.79Å; Y456-V478 HydrophobicContact CE1-CG1 3.83Å; Y456-V478 HydrophobicContact CE2-CB 4.3Å; Y456-V478 HydrophobicContact CE2-CG1 4.37Å; Y456-V478 HydrophobicContact CE2-CG2 3.78Å; Y456-V478 HydrophobicContact CG-CG1 4.2Å; Y456-V478 HydrophobicContact CG-CG2 4.25Å; T474-V478 WeakPolarHBondContact O-CG2 3.2Å; T474-V478 PolarHBondContact O-N 3.2Å; E475-V478 PolarHBondContact O-N 3.35Å; V478-V480 VanDerWaalsContact C-N 3.32Å; V478-V480 PolarHBondContact O-N 3.31Å; V478-L481 PolarHBondContact O-N 3.43Å; V478-L482 HydrophobicContact CG1-CD1 3.83Å; V478-L482 HydrophobicContact CG1-CG 4.2Å; V478-L482 WeakPolarHBondContact O-CB 3.33Å; V478-L482 WeakPolarHBondContact O-CG 3.43Å; V478-L482 PolarHBondContact O-N 2.96Å |
| 479 | Q | 81.3 | Confident | 80.2 | Confident | 98 Ų | 98 | 56 Ų | 56 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 175.8 | -170.8 | 66.2 | 68.6 | 0 | 0 | 112.2 | E475 G477 N483 | E475-Q479 WeakPolarHBondContact O-CB 3.21Å; E475-Q479 PolarHBondContact O-N 2.78Å; G477-Q479 PolarHBondContact O-N 3.42Å; Q479-N483 PolarHBondContact NE2-OD1 2.88Å; Q479-N483 WeakPolarHBondContact O-CB 3.43Å; Q479-N483 PolarHBondContact O-N 3.35Å; Q479-N483 PolarHBondContact O-ND2 2.84Å; Q479-N483 PolarHBondContact O-OD1 2.87Å |
| 480 | V | 83.3 | Confident | 80.5 | Confident | 74 Ų | 74 | 51.9 Ų | 51.9 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 173.2 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | R476 G477 V478 N483 N484 | R476-V480 WeakPolarHBondContact O-CB 3.47Å; R476-V480 VanDerWaalsContact O-CG2 3.29Å; R476-V480 WeakPolarHBondContact O-CG2 3.33Å; R476-V480 PolarHBondContact O-N 3.12Å; G477-V480 PolarHBondContact O-N 3.08Å; V478-V480 VanDerWaalsContact C-N 3.32Å; V478-V480 PolarHBondContact O-N 3.31Å; V480-N483 PolarHBondContact O-N 3.32Å; V480-N484 VanDerWaalsContact O-CB 3.32Å; V480-N484 WeakPolarHBondContact O-CB 3.33Å; V480-N484 PolarHBondContact O-N 2.86Å |
| 481 | L | 87.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -52.2 | 174.4 | 173.5 | 56.3 | 0 | 0 | 0 | 111.2 | L405 L408 T412 F452 G477 V478 N483 N484 W485 | L405-L481 HydrophobicContact CD1-CB 3.95Å; L405-L481 HydrophobicContact CD1-CD2 3.85Å; L408-L481 HydrophobicContact CB-CD1 3.78Å; L408-L481 HydrophobicContact CB-CD2 3.88Å; L408-L481 HydrophobicContact CD1-CD2 4.3Å; T412-L481 HydrophobicContact CG2-CD1 3.69Å; F452-L481 HydrophobicContact CD1-CD2 3.65Å; F452-L481 HydrophobicContact CE1-CD2 3.67Å; F452-L481 HydrophobicContact CG-CD2 4.41Å; F452-L481 HydrophobicContact CZ-CD2 4.44Å; G477-L481 PolarHBondContact O-N 2.84Å; V478-L481 PolarHBondContact O-N 3.43Å; L481-N483 PolarHBondContact O-N 3.4Å; L481-N484 PolarHBondContact O-N 3.23Å; L481-W485 WeakPolarHBondContact O-CB 3.42Å; L481-W485 PolarHBondContact O-N 3.21Å |
| 482 | L | 83.7 | Confident | 80.7 | Confident | 61 Ų | 61 | 51 Ų | 51 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 179.8 | -67.4 | 175.7 | 0 | 0 | 0 | 112.2 | V478 W485 N486 | V478-L482 HydrophobicContact CG1-CD1 3.83Å; V478-L482 HydrophobicContact CG1-CG 4.2Å; V478-L482 WeakPolarHBondContact O-CB 3.33Å; V478-L482 WeakPolarHBondContact O-CG 3.43Å; V478-L482 PolarHBondContact O-N 2.96Å; L482-W485 PolarHBondContact O-N 3.02Å; L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.41Å; L482-N486 VanDerWaalsContact O-CG 3.3Å; L482-N486 PolarHBondContact O-N 3.05Å; L482-N486 PolarHBondContact O-ND2 3.45Å; L482-N486 VanDerWaalsContact O-ND2 3.14Å |
| 483 | N | 84 | Confident | 80.4 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 174 | -73.9 | -13.6 | 0 | 0 | 0 | 112.3 | Q479 V480 L481 A487 | Q479-N483 PolarHBondContact NE2-OD1 2.88Å; Q479-N483 WeakPolarHBondContact O-CB 3.43Å; Q479-N483 PolarHBondContact O-N 3.35Å; Q479-N483 PolarHBondContact O-ND2 2.84Å; Q479-N483 PolarHBondContact O-OD1 2.87Å; V480-N483 PolarHBondContact O-N 3.32Å; L481-N483 PolarHBondContact O-N 3.4Å; N483-A487 VanDerWaalsContact O-CB 3.28Å; N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 2.73Å |
| 484 | N | 84.9 | Confident | 80 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 174.9 | -79.2 | -5.9 | 0 | 0 | 0 | 111.7 | Q413 K416 V480 L481 A487 I488 | Q413-N484 PolarHBondContact OE1-ND2 3.47Å; K416-N484 HydrophobicContact CD-CB 4.27Å; K416-N484 VanDerWaalsContact CD-OD1 3.28Å; K416-N484 WeakPolarHBondContact CD-OD1 3.24Å; K416-N484 WeakPolarHBondContact CE-OD1 3.42Å; K416-N484 PolarHBondContact NZ-OD1 2.92Å; V480-N484 VanDerWaalsContact O-CB 3.32Å; V480-N484 WeakPolarHBondContact O-CB 3.33Å; V480-N484 PolarHBondContact O-N 2.86Å; L481-N484 PolarHBondContact O-N 3.23Å; N484-A487 PolarHBondContact O-N 3.38Å; N484-I488 WeakPolarHBondContact O-CG1 3.3Å; N484-I488 PolarHBondContact O-N 3.42Å |
| 485 | W | 88.4 | Confident | 79.2 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.6 | -176 | -128.3 | 0 | 0 | 0 | 111.9 | W411 T412 I442 K446 I449 L481 L482 A487 I488 L489 | W411-W485 AromaticContact CH2-CZ3 4Å; W411-W485 HydrophobicContact CH2-CZ3 4Å; W411-W485 HydrophobicContact CZ3-CE3 4.26Å; W411-W485 AromaticContact CZ3-CZ3 3.85Å; W411-W485 HydrophobicContact CZ3-CZ3 3.85Å; T412-W485 HydrophobicContact CG2-CE3 4.21Å; I442-W485 HydrophobicContact CG2-CH2 3.75Å; I442-W485 HydrophobicContact CG2-CZ3 3.89Å; K446-W485 HydrophobicContact CB-CH2 3.83Å; K446-W485 HydrophobicContact CB-CZ2 3.72Å; K446-W485 HydrophobicContact CD-CZ2 4.34Å; K446-W485 HydrophobicContact CG-CH2 4.48Å; K446-W485 HydrophobicContact CG-CZ2 3.88Å; I449-W485 HydrophobicContact CD1-CB 4.49Å; I449-W485 HydrophobicContact CD1-CD2 3.46Å; I449-W485 VanDerWaalsContact CD1-CD2 3.46Å; I449-W485 HydrophobicContact CD1-CE3 3.38Å; I449-W485 HydrophobicContact CD1-CG 3.97Å; I449-W485 HydrophobicContact CD1-CH2 4.12Å; I449-W485 HydrophobicContact CD1-CZ2 4.18Å; I449-W485 HydrophobicContact CD1-CZ3 3.73Å; I449-W485 HydrophobicContact CG2-CD2 4.45Å; I449-W485 HydrophobicContact CG2-CG 4.24Å; L481-W485 WeakPolarHBondContact O-CB 3.42Å; L481-W485 PolarHBondContact O-N 3.21Å; L482-W485 PolarHBondContact O-N 3.02Å; W485-A487 VanDerWaalsContact C-N 3.28Å; W485-A487 PolarHBondContact O-N 2.77Å; W485-I488 HydrophobicContact CE3-CB 4.35Å; W485-I488 HydrophobicContact CE3-CD1 4.39Å; W485-I488 HydrophobicContact CE3-CG2 4.18Å; W485-I488 HydrophobicContact CZ3-CG2 4.11Å; W485-I488 WeakPolarHBondContact O-CB 3.29Å; W485-I488 PolarHBondContact O-N 3.19Å; W485-I488 VanDerWaalsContact O-N 3.09Å; W485-L489 HydrophobicContact CD2-CD1 4.44Å; W485-L489 HydrophobicContact CD2-CG 4.36Å; W485-L489 HydrophobicContact CG-CD1 4.47Å; W485-L489 HydrophobicContact CH2-CD2 4.44Å; W485-L489 HydrophobicContact CZ2-CD2 4.11Å; W485-L489 HydrophobicContact CZ2-CG 4.47Å; W485-L489 WeakPolarHBondContact O-CG 3.43Å; W485-L489 PolarHBondContact O-N 3.01Å |
| 486 | N | 81.7 | Confident | 78.3 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 172.5 | -75.5 | -36 | 0 | 0 | 0 | 111.8 | L482 N490 | L482-N486 VanDerWaalsContact O-CB 3.28Å; L482-N486 WeakPolarHBondContact O-CB 3.41Å; L482-N486 VanDerWaalsContact O-CG 3.3Å; L482-N486 PolarHBondContact O-N 3.05Å; L482-N486 PolarHBondContact O-ND2 3.45Å; L482-N486 VanDerWaalsContact O-ND2 3.14Å; N486-N490 WeakPolarHBondContact O-CB 3.36Å; N486-N490 PolarHBondContact O-N 2.77Å; N486-N490 PolarHBondContact O-ND2 2.85Å |
| 487 | A | 81.1 | Confident | 77 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | K416 N483 N484 W485 M491 | K416-A487 HydrophobicContact CD-CB 4.26Å; K416-A487 HydrophobicContact CG-CB 4.47Å; N483-A487 VanDerWaalsContact O-CB 3.28Å; N483-A487 WeakPolarHBondContact O-CB 3.48Å; N483-A487 PolarHBondContact O-N 2.73Å; N484-A487 PolarHBondContact O-N 3.38Å; W485-A487 VanDerWaalsContact C-N 3.28Å; W485-A487 PolarHBondContact O-N 2.77Å; A487-M491 WeakPolarHBondContact O-CB 3.44Å; A487-M491 WeakPolarHBondContact O-CE 3.28Å; A487-M491 VanDerWaalsContact O-CG 3.31Å; A487-M491 WeakPolarHBondContact O-CG 3.41Å; A487-M491 PolarHBondContact O-N 2.89Å |
| 488 | I | 82.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -55.2 | 172 | -76.4 | 169 | 0 | 0 | 0 | 110 | W411 T412 V415 K416 L419 I442 N484 W485 N490 M491 I492 | W411-I488 HydrophobicContact CZ3-CD1 4.4Å; T412-I488 HydrophobicContact CG2-CD1 3.91Å; T412-I488 WeakPolarHBondContact O-CD1 3.34Å; V415-I488 HydrophobicContact CB-CD1 3.94Å; V415-I488 HydrophobicContact CG1-CD1 3.94Å; V415-I488 HydrophobicContact CG1-CG1 4.18Å; V415-I488 HydrophobicContact CG1-CG2 4.46Å; K416-I488 HydrophobicContact CB-CG1 4.16Å; L419-I488 HydrophobicContact CD1-CB 4.4Å; L419-I488 HydrophobicContact CD1-CG1 4.19Å; L419-I488 HydrophobicContact CD1-CG2 4.15Å; I442-I488 HydrophobicContact CG1-CG2 4.48Å; I442-I488 HydrophobicContact CG2-CG2 4.44Å; N484-I488 WeakPolarHBondContact O-CG1 3.3Å; N484-I488 PolarHBondContact O-N 3.42Å; W485-I488 HydrophobicContact CE3-CB 4.35Å; W485-I488 HydrophobicContact CE3-CD1 4.39Å; W485-I488 HydrophobicContact CE3-CG2 4.18Å; W485-I488 HydrophobicContact CZ3-CG2 4.11Å; W485-I488 WeakPolarHBondContact O-CB 3.29Å; W485-I488 PolarHBondContact O-N 3.19Å; W485-I488 VanDerWaalsContact O-N 3.09Å; I488-N490 VanDerWaalsContact C-N 3.34Å; I488-N490 PolarHBondContact O-N 3.05Å; I488-M491 PolarHBondContact O-N 3.13Å; I488-I492 HydrophobicContact CG2-CD1 3.4Å; I488-I492 HydrophobicContact CG2-CG1 4.27Å; I488-I492 VanDerWaalsContact O-CG1 3.25Å; I488-I492 WeakPolarHBondContact O-CG1 3.19Å; I488-I492 PolarHBondContact O-N 3.11Å |
| 489 | L | 80.9 | Confident | 73 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 179.5 | -67.1 | 174.7 | 0 | 0 | 0 | 111.9 | W485 M491 I492 E493 | W485-L489 HydrophobicContact CD2-CD1 4.44Å; W485-L489 HydrophobicContact CD2-CG 4.36Å; W485-L489 HydrophobicContact CG-CD1 4.47Å; W485-L489 HydrophobicContact CH2-CD2 4.44Å; W485-L489 HydrophobicContact CZ2-CD2 4.11Å; W485-L489 HydrophobicContact CZ2-CG 4.47Å; W485-L489 WeakPolarHBondContact O-CG 3.43Å; W485-L489 PolarHBondContact O-N 3.01Å; L489-M491 VanDerWaalsContact C-N 3.34Å; L489-M491 PolarHBondContact O-N 3.25Å; L489-I492 PolarHBondContact O-N 2.83Å; L489-E493 PolarHBondContact O-N 2.8Å |
| 490 | N | 76.5 | Confident | 71.2 | Confident | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 175.6 | -82.4 | -82.9 | 0 | 0 | 0 | 113.1 | N486 I488 L494 | N486-N490 WeakPolarHBondContact O-CB 3.36Å; N486-N490 PolarHBondContact O-N 2.77Å; N486-N490 PolarHBondContact O-ND2 2.85Å; I488-N490 VanDerWaalsContact C-N 3.34Å; I488-N490 PolarHBondContact O-N 3.05Å; N490-L494 WeakPolarHBondContact O-CB 3.5Å; N490-L494 WeakPolarHBondContact O-CG 3.37Å; N490-L494 PolarHBondContact O-N 3.45Å; N490-L494 VanDerWaalsContact O-N 3.09Å |
| 491 | M | 76 | Confident | 69.5 | Low | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.3 | -37.5 | 175.4 | -77.3 | -170.9 | -66.6 | 0 | 0 | 112 | K416 L419 L420 A487 I488 L489 L494 F495 | K416-M491 HydrophobicContact CB-CE 4.3Å; K416-M491 HydrophobicContact CG-CE 3.86Å; L419-M491 HydrophobicContact CB-CB 4.28Å; L419-M491 HydrophobicContact CB-CE 3.72Å; L419-M491 HydrophobicContact CB-SD 3.9Å; L419-M491 HydrophobicContact CD1-CB 4.18Å; L419-M491 HydrophobicContact CD1-CE 4.15Å; L420-M491 HydrophobicContact CD2-SD 4.26Å; L420-M491 HydrophobicContact CG-CE 4.45Å; L420-M491 HydrophobicContact CG-SD 4.01Å; A487-M491 WeakPolarHBondContact O-CB 3.44Å; A487-M491 WeakPolarHBondContact O-CE 3.28Å; A487-M491 VanDerWaalsContact O-CG 3.31Å; A487-M491 WeakPolarHBondContact O-CG 3.41Å; A487-M491 PolarHBondContact O-N 2.89Å; I488-M491 PolarHBondContact O-N 3.13Å; L489-M491 VanDerWaalsContact C-N 3.34Å; L489-M491 PolarHBondContact O-N 3.25Å; M491-L494 WeakPolarHBondContact O-CB 3.49Å; M491-L494 PolarHBondContact O-N 3.34Å; M491-F495 WeakPolarHBondContact O-CD2 3.41Å; M491-F495 PolarHBondContact O-N 2.91Å |
| 492 | I | 72.3 | Confident | 67 | Low | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 174 | -68.5 | 164.6 | 0 | 0 | 0 | 110.4 | L419 I442 I488 L489 L494 F495 H496 | L419-I492 HydrophobicContact CD1-CG1 4.26Å; I442-I492 HydrophobicContact CB-CD1 4.49Å; I442-I492 HydrophobicContact CD1-CD1 3.58Å; I442-I492 HydrophobicContact CD1-CG1 4.19Å; I442-I492 HydrophobicContact CG1-CD1 4.3Å; I442-I492 HydrophobicContact CG2-CD1 3.73Å; I488-I492 HydrophobicContact CG2-CD1 3.4Å; I488-I492 HydrophobicContact CG2-CG1 4.27Å; I488-I492 VanDerWaalsContact O-CG1 3.25Å; I488-I492 WeakPolarHBondContact O-CG1 3.19Å; I488-I492 PolarHBondContact O-N 3.11Å; L489-I492 PolarHBondContact O-N 2.83Å; I492-L494 PolarHBondContact O-N 3.16Å; I492-F495 CarbonylContact O-C 3.57Å; I492-F495 WeakPolarHBondContact O-CA 3.43Å; I492-F495 PolarHBondContact O-N 2.87Å; I492-H496 WeakPolarHBondContact CG2-CE1 3.45Å; I492-H496 WeakPolarHBondContact CG2-NE2 3.46Å; I492-H496 PolarHBondContact O-N 3.07Å; I492-H496 PolarHBondContact O-ND1 3.04Å |
| 493 | E | 67.7 | Low | 64.5 | Low | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.8 | -36 | 173.2 | -75.5 | -164.2 | 138.2 | 0 | 0 | 112.2 | L489 H496 S497 | L489-E493 PolarHBondContact O-N 2.8Å; E493-H496 PolarHBondContact O-N 2.91Å; E493-S497 VanDerWaalsContact O-CB 3.27Å; E493-S497 WeakPolarHBondContact O-CB 3.3Å; E493-S497 PolarHBondContact O-N 2.61Å; E493-S497 PolarHBondContact O-OG 3.27Å |
| 494 | L | 65.2 | Low | 62.5 | Low | 85 Ų | 85 | 56 Ų | 56 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -30.9 | 173.1 | -76.3 | 171.1 | 0 | 0 | 0 | 113.3 | N490 M491 I492 S497 S498 | N490-L494 WeakPolarHBondContact O-CB 3.5Å; N490-L494 WeakPolarHBondContact O-CG 3.37Å; N490-L494 PolarHBondContact O-N 3.45Å; N490-L494 VanDerWaalsContact O-N 3.09Å; M491-L494 WeakPolarHBondContact O-CB 3.49Å; M491-L494 PolarHBondContact O-N 3.34Å; I492-L494 PolarHBondContact O-N 3.16Å; L494-S497 WeakPolarHBondContact CA-OG 3.37Å; L494-S497 PolarHBondContact O-OG 3.09Å; L494-S498 WeakPolarHBondContact O-CB 3.49Å; L494-S498 PolarHBondContact O-N 3.22Å; L494-S498 PolarHBondContact O-OG 3.25Å |
| 495 | F | 64.7 | Low | 60.3 | Low | 41 Ų | 41 | 58.4 Ų | 58.4 | 18% | 0.18 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73 | -48.9 | 170.1 | -71.8 | -65 | 0 | 0 | 0 | 110.9 | L419 C422 K423 M491 I492 S497 S498 S499 | L419-F495 HydrophobicContact CB-CE2 4.33Å; L419-F495 HydrophobicContact CD2-CD2 4.09Å; L419-F495 HydrophobicContact CD2-CE2 3.73Å; C422-F495 HydrophobicContact CB-CZ 3.94Å; K423-F495 HydrophobicContact CB-CZ 4.24Å; M491-F495 WeakPolarHBondContact O-CD2 3.41Å; M491-F495 PolarHBondContact O-N 2.91Å; I492-F495 CarbonylContact O-C 3.57Å; I492-F495 WeakPolarHBondContact O-CA 3.43Å; I492-F495 PolarHBondContact O-N 2.87Å; F495-S497 PolarHBondContact O-N 2.97Å; F495-S498 PolarHBondContact O-N 3.15Å; F495-S499 PolarHBondContact O-N 3.01Å |
| 496 | H | 59.1 | Low | 58 | Low | 60 Ų | 60 | 63.2 Ų | 63.2 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -26.7 | 176.5 | -61.8 | -3.1 | 0 | 0 | 0 | 114.5 | E439 I492 E493 S499 S501 G503 | E439-H496 IonicContact OE1-CE1 3.35Å; E439-H496 PolarHBondContact OE1-CE1 3.48Å; E439-H496 IonicContact OE1-ND1 3.67Å; E439-H496 IonicContact OE2-CE1 3.27Å; E439-H496 PolarHBondContact OE2-CE1 2.69Å; I492-H496 WeakPolarHBondContact CG2-CE1 3.45Å; I492-H496 WeakPolarHBondContact CG2-NE2 3.46Å; I492-H496 PolarHBondContact O-N 3.07Å; I492-H496 PolarHBondContact O-ND1 3.04Å; E493-H496 PolarHBondContact O-N 2.91Å; H496-S499 CarbonylContact C-O 3.56Å; H496-S499 VanDerWaalsContact CA-O 3.22Å; H496-S499 WeakPolarHBondContact CA-O 3.43Å; H496-S499 CarbonylContact O-C 2.92Å; H496-S501 PolarHBondContact ND1-O 2.93Å; H496-G503 WeakPolarHBondContact CE1-CA 3.46Å; H496-G503 PolarHBondContact CE1-N 2.86Å; H496-G503 PolarHBondContact ND1-N 3.37Å; H496-G503 WeakPolarHBondContact NE2-CA 3.47Å |
| 497 | S | 51.1 | Low | 56.1 | Low | 94 Ų | 94 | 63.2 Ų | 63.2 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -9.1 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | E493 L494 F495 | E493-S497 VanDerWaalsContact O-CB 3.27Å; E493-S497 WeakPolarHBondContact O-CB 3.3Å; E493-S497 PolarHBondContact O-N 2.61Å; E493-S497 PolarHBondContact O-OG 3.27Å; L494-S497 WeakPolarHBondContact CA-OG 3.37Å; L494-S497 PolarHBondContact O-OG 3.09Å; F495-S497 PolarHBondContact O-N 2.97Å |
| 498 | S | 47.5 | Very low | 54.4 | Low | 100 Ų | 100 | 68 Ų | 68 | 70% | 0.699 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -30.6 | 170 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | L494 F495 | L494-S498 WeakPolarHBondContact O-CB 3.49Å; L494-S498 PolarHBondContact O-N 3.22Å; L494-S498 PolarHBondContact O-OG 3.25Å; F495-S498 PolarHBondContact O-N 3.15Å |
| 499 | S | 33.9 | Very low | 52.6 | Low | 44 Ų | 44 | 72 Ų | 72 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -148.3 | 136.2 | 169.1 | 40 | 0 | 0 | 0 | 0 | 106.3 | F495 H496 S501 | F495-S499 PolarHBondContact O-N 3.01Å; H496-S499 CarbonylContact C-O 3.56Å; H496-S499 VanDerWaalsContact CA-O 3.22Å; H496-S499 WeakPolarHBondContact CA-O 3.43Å; H496-S499 CarbonylContact O-C 2.92Å; S499-S501 CarbonylContact O-C 3.44Å; S499-S501 PolarHBondContact O-N 3.39Å; S499-S501 PolarHBondContact O-OG 2.71Å; S499-S501 PolarHBondContact OG-OG 3.42Å |
| 500 | S | 43.5 | Very low | 51 | Low | 131 Ų | 131 | 75.7 Ų | 75.7 | 92% | 0.916 | 46% | 0.464 | S | S | * | . | S | Bend | 42.4 | -3.5 | 73.6 | 79.1 | 0 | 0 | 0 | 0 | 117.3 | |||
| 501 | S | 47.9 | Very low | 49.2 | Very low | 31 Ų | 31 | 75.2 Ų | 75.2 | 22% | 0.217 | 48% | 0.481 | C | S | . | . | trans | -103.5 | 98.4 | 145.9 | 49.1 | 0 | 0 | 0 | 0 | 103.7 | H496 S499 | H496-S501 PolarHBondContact ND1-O 2.93Å; S499-S501 CarbonylContact O-C 3.44Å; S499-S501 PolarHBondContact O-N 3.39Å; S499-S501 PolarHBondContact O-OG 2.71Å; S499-S501 PolarHBondContact OG-OG 3.42Å | ||
| 502 | A | 35.3 | Very low | 47.4 | Very low | 59 Ų | 59 | 77.9 Ų | 77.9 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | 45.4 | 92.4 | 87.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 503 | G | 31.6 | Very low | 45.7 | Very low | 36 Ų | 36 | 84.1 Ų | 84.1 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | cis | 90.4 | 68.7 | 9.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E439 H496 | E439-G503 PolarHBondContact OE1-N 2.87Å; E439-G503 PolarHBondContact OE2-N 2.6Å; H496-G503 WeakPolarHBondContact CE1-CA 3.46Å; H496-G503 PolarHBondContact CE1-N 2.86Å; H496-G503 PolarHBondContact ND1-N 3.37Å; H496-G503 WeakPolarHBondContact NE2-CA 3.47Å | ||
| 504 | S | 41 | Very low | 44.4 | Very low | 51 Ų | 51 | 86 Ų | 86 | 36% | 0.357 | 55% | 0.554 | S | S | . | * | trans | -165.6 | 143.2 | 134.9 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | E439 K443 | E439-S504 PolarHBondContact OE2-N 3.18Å; K443-S504 VanDerWaalsContact CE-O 3.23Å; K443-S504 WeakPolarHBondContact CE-O 3.49Å; K443-S504 WeakPolarHBondContact CE-OG 3.46Å; K443-S504 WeakPolarHBondContact CG-O 3.47Å; K443-S504 PolarHBondContact NZ-OG 2.69Å | ||
| 505 | A | 38.7 | Very low | 43.1 | Very low | 56 Ų | 56 | 88.8 Ų | 88.8 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | cis | 67.6 | 114.7 | 42.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K443 | K443-A505 PolarHBondContact NZ-O 3.48Š| ||
| 506 | E | 40.2 | Very low | 41.8 | Very low | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | trans | 55.8 | 136.7 | 173.5 | -44 | 92.9 | -157.6 | 0 | 0 | 119.5 | K443 | K443-E506 VanDerWaalsContact CD-O 3.31Å; K443-E506 WeakPolarHBondContact CD-O 3.48Å; K443-E506 VanDerWaalsContact CG-O 3.26Å; K443-E506 WeakPolarHBondContact CG-O 3.4Å; K443-E506 PolarHBondContact NZ-O 3.18Å | ||
| 507 | D | 42.6 | Very low | 40.4 | Very low | 77 Ų | 77 | 98.7 Ų | 98.7 | 41% | 0.412 | 62% | 0.621 | S | S | . | * | 149.6 | 123.5 | 127.6 | -78.7 | -7.8 | 0 | 0 | 0 | 112.9 | |||||
| 508 | Q | 44.8 | Very low | 39.7 | Very low | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | 92.2 | 91.4 | 53.2 | -78.1 | -171.5 | 68.1 | 0 | 0 | 112.2 | |||||
| 509 | A | 44.5 | Very low | 39.1 | Very low | 84 Ų | 84 | 103.8 Ų | 103.8 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | trans | -152.4 | 149.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 510 | V | 46.4 | Very low | 38.9 | Very low | 141 Ų | 141 | 112 Ų | 112 | 86% | 0.855 | 65% | 0.653 | S | S | * | * | cis | -161.7 | 140.6 | -46.6 | 117.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 511 | G | 39.2 | Very low | 38.4 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | 83.7 | 143.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 512 | G | 38.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | cis | -176.5 | 174.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 513 | D | 36.9 | Very low | 37.3 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | 70.6 | 101.7 | 163.1 | -68.2 | 8.4 | 0 | 0 | 0 | 122.2 | ||||
| 514 | H | 40 | Very low | 37.4 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 86.8 | 122.9 | 131.9 | -74 | -62.7 | 0 | 0 | 0 | 124 | ||||
| 515 | L | 37 | Very low | 36.9 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 75.9 | 134.8 | 160.9 | -54.8 | 173.1 | 0 | 0 | 0 | 118.6 | ||||
| 516 | E | 37.4 | Very low | 36.7 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | cis | -162.6 | 116.6 | -22.7 | -148.1 | 165.2 | -134.2 | 0 | 0 | 111.3 | ||||
| 517 | N | 31.1 | Very low | 36.7 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | 44.6 | 155.3 | 157.1 | -71.1 | 9.7 | 0 | 0 | 0 | 126.4 | ||||
| 518 | D | 35.1 | Very low | 36.5 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 140.3 | 159.3 | -54.8 | -17.3 | 0 | 0 | 0 | 119.8 | ||||
| 519 | E | 34.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -154.3 | 153.9 | -14.3 | -114.2 | -158.6 | 138.9 | 0 | 0 | 112 | ||||
| 520 | Y | 31.4 | Very low | 36.2 | Very low | 217 Ų | 217 | 146.7 Ų | 146.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 9.6 | 132.5 | 165.8 | -66.9 | -83.3 | 0 | 0 | 0 | 123.9 | ||||
| 521 | G | 31.8 | Very low | 35.6 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -169.6 | 17.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | K523 | G521-K523 PolarHBondContact O-N 2.85Š| ||
| 522 | V | 28.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -62 | 127.4 | -171.3 | -179.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 523 | K | 32.6 | Very low | 34.8 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 150.9 | 156.7 | -83 | -173.4 | 177 | 176.4 | 0 | 111 | G521 | G521-K523 PolarHBondContact O-N 2.85Š| ||
| 524 | Q | 33.3 | Very low | 34.7 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -91 | 156.6 | -164.7 | -159 | 165.5 | -4.2 | 0 | 0 | 111.5 | ||||
| 525 | L | 29.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -61.6 | 144.4 | -178.1 | -65.7 | 83 | 0 | 0 | 0 | 112.1 | V527 | L525-V527 HydrophobicContact CB-CG2 3.98Å; L525-V527 HydrophobicContact CD2-CG2 3.88Å | ||
| 526 | D | 34.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 54% | 0.54 | 79% | 0.791 | S | S | . | * | trans | -128.5 | 73.8 | 168.3 | -164.7 | 21.4 | 0 | 0 | 0 | 108.5 | E528 R529 | D526-E528 PolarHBondContact O-N 3.16Å; D526-E528 VanDerWaalsContact O-N 3.14Å; D526-R529 PolarHBondContact O-N 3.25Å; D526-R529 WeakPolarHBondContact OD2-CD 3.23Å; D526-R529 IonicContact OD2-NE 3.36Å; D526-R529 PolarHBondContact OD2-NE 3.18Å; D526-R529 VanDerWaalsContact OD2-NE 3.17Å | ||
| 527 | V | 41.5 | Very low | 33.5 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 62% | 0.624 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -64.3 | -18.4 | -167.5 | -178.9 | 0 | 0 | 0 | 0 | 112.9 | L525 R529 | L525-V527 HydrophobicContact CB-CG2 3.98Å; L525-V527 HydrophobicContact CD2-CG2 3.88Å; V527-R529 PolarHBondContact O-N 3.18Å |
| 528 | E | 38.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -72.8 | -4.8 | -176.9 | -58.3 | -167.4 | 147.8 | 0 | 0 | 114.4 | D526 | D526-E528 PolarHBondContact O-N 3.16Å; D526-E528 VanDerWaalsContact O-N 3.14Å |
| 529 | R | 41.7 | Very low | 33.4 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -92.3 | -11.9 | -172.3 | -78.3 | -174.6 | 172.3 | -130.6 | -10.7 | 117.3 | D526 V527 V531 | D526-R529 PolarHBondContact O-N 3.25Å; D526-R529 WeakPolarHBondContact OD2-CD 3.23Å; D526-R529 IonicContact OD2-NE 3.36Å; D526-R529 PolarHBondContact OD2-NE 3.18Å; D526-R529 VanDerWaalsContact OD2-NE 3.17Å; V527-R529 PolarHBondContact O-N 3.18Å; R529-V531 VanDerWaalsContact C-N 3.25Å; R529-V531 PolarHBondContact O-N 2.89Å; R529-V531 VanDerWaalsContact O-N 3.12Å |
| 530 | L | 40.7 | Very low | 33.3 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -82.9 | 24.9 | -170.2 | -72.9 | 167.6 | 0 | 0 | 0 | 115.2 | ||
| 531 | V | 33.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -143.3 | 82.4 | -174.9 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | R529 | R529-V531 VanDerWaalsContact C-N 3.25Å; R529-V531 PolarHBondContact O-N 2.89Å; R529-V531 VanDerWaalsContact O-N 3.12Å | ||
| 532 | A | 33.6 | Very low | 33.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -160.8 | 146.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 533 | L | 27.4 | Very low | 34.4 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -112.7 | -167.9 | -179.7 | -52.4 | 143.9 | 0 | 0 | 0 | 109.8 | ||||
| 534 | P | 34.2 | Very low | 34.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | cis | -134.2 | -166.6 | -17.6 | 39.9 | -19.6 | 0 | 0 | 0 | 115 | ||||
| 535 | A | 32.6 | Very low | 34.8 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -110.9 | -170.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 536 | G | 28.9 | Very low | 34.9 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | -171.8 | -124.8 | 11.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 537 | D | 28.7 | Very low | 35.3 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 84.2 | 129.4 | 171.5 | -93.7 | -10.1 | 0 | 0 | 0 | 123.7 | ||||
| 538 | V | 31.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 89 | 122.2 | 131.7 | 171.6 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 539 | S | 32.2 | Very low | 35 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | 64.6 | 129.4 | 139.3 | -76.2 | 0 | 0 | 0 | 0 | 133.2 | ||||
| 540 | E | 33.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 79.9 | 122.7 | 119.7 | -66.1 | 170.9 | 101.4 | 0 | 0 | 131.6 | |||||
| 541 | V | 34.5 | Very low | 34.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | 74.4 | 129.5 | 127.5 | 179.3 | 0 | 0 | 0 | 0 | 128.3 | |||||
| 542 | A | 35.3 | Very low | 35.1 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -176.8 | 152.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 543 | H | 44.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -160.9 | 173.7 | -175.7 | -35.1 | -87.1 | 0 | 0 | 0 | 122 | ||||
| 544 | Y | 37 | Very low | 35.8 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | trans | 105.5 | 126.8 | 147.4 | -80.5 | -70.8 | 0 | 0 | 0 | 131.5 | ||||
| 545 | A | 36.8 | Very low | 36 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | 97.1 | 0 | 131 | 0 | 0 | 0 | 0 | 0 | 132.8 | ||||
| 546 | V | 32.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | 0 | 0 | 0 | -172.2 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 547 | P | 42.1 | Very low | 36.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | 0 | 0 | 0 | 46.8 | -26 | 0 | 0 | 0 | 128.9 | |||||
| 548 | F | 37.7 | Very low | 37.3 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | 0 | 0 | 0 | -161.3 | -103.4 | 0 | 0 | 0 | 131.5 | T550 | F548-T550 HydrophobicContact CZ-CG2 4.29Š| |||
| 549 | S | 37.1 | Very low | 37.6 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | 0 | 0 | 0 | -77.3 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 550 | T | 37.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 85% | 0.849 | S | S | * | * | 0 | 0 | 0 | 56.8 | 0 | 0 | 0 | 0 | 126.3 | F548 | F548-T550 HydrophobicContact CZ-CG2 4.29Š| |||
| 551 | E | 38 | Very low | 38.1 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 94% | 0.935 | 86% | 0.855 | S | S | * | * | 0 | 0 | 0 | -74.2 | -162.4 | 165.2 | 0 | 0 | 129.2 | |||||
| 552 | R | 40.9 | Very low | 38.5 | Very low | 261 Ų | 261 | 153.7 Ų | 153.7 | 99% | 0.985 | 86% | 0.858 | S | S | * | * | 0 | 0 | 0 | -94.5 | -174.5 | 173 | -172.4 | 0.8 | 134.1 | |||||
| 553 | D | 38 | Very low | 38.8 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 89% | 0.888 | 86% | 0.855 | S | S | * | * | 0 | 0 | 0 | -164.9 | 26 | 0 | 0 | 0 | 130.9 | |||||
| 554 | S | 39.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 86% | 0.864 | S | S | * | * | 0 | 0 | 0 | -66.2 | 0 | 0 | 0 | 0 | 129.5 | |||||
| 555 | L | 37.5 | Very low | 39 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 95% | 0.948 | 86% | 0.859 | S | S | * | * | 0 | 0 | 0 | -64.8 | 168.5 | 0 | 0 | 0 | 126.9 | |||||
| 556 | A | 39.5 | Very low | 39.3 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 98% | 0.983 | 87% | 0.865 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 132.7 | |||||
| 557 | A | 40.8 | Very low | 40 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 99% | 0.992 | 86% | 0.86 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 133.7 | |||||
| 558 | D | 36.9 | Very low | 40 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 86% | 0.862 | S | S | * | * | 0 | 0 | 0 | -115.1 | 80.2 | 0 | 0 | 0 | 143 | |||||
| 559 | S | 38.2 | Very low | 40.3 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 80% | 0.797 | 87% | 0.868 | S | S | * | * | 0 | 0 | 0 | 70.7 | 0 | 0 | 0 | 0 | 129.7 | |||||
| 560 | S | 38.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 90% | 0.902 | 88% | 0.876 | S | S | * | * | 0 | 0 | 0 | 69.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 561 | L | 38.2 | Very low | 41.1 | Very low | 176 Ų | 176 | 159.5 Ų | 159.5 | 92% | 0.921 | 89% | 0.885 | S | S | * | * | 0 | 0 | 0 | -165.3 | 65.4 | 0 | 0 | 0 | 128.3 | |||||
| 562 | R | 42.3 | Very low | 41.5 | Very low | 217 Ų | 217 | 158.9 Ų | 158.9 | 82% | 0.819 | 89% | 0.887 | S | S | * | * | 0 | 0 | 0 | -58.3 | -149.9 | 74.9 | 158.2 | 0.5 | 133 | |||||
| 563 | D | 41.3 | Very low | 41.8 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 66% | 0.658 | 88% | 0.878 | S | S | * | * | 0 | 0 | 0 | -78.4 | 56.7 | 0 | 0 | 0 | 127.3 | |||||
| 564 | V | 41.5 | Very low | 42.2 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 95% | 0.952 | 88% | 0.881 | S | S | * | * | 0 | 0 | 0 | 171.1 | 0 | 0 | 0 | 0 | 134.2 | |||||
| 565 | T | 44.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 154.1 Ų | 154.1 | 80% | 0.798 | 88% | 0.878 | S | S | * | * | 0 | 0 | 0 | 69.9 | 0 | 0 | 0 | 0 | 129.2 | |||||
| 566 | D | 43.6 | Very low | 42.4 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 88% | 0.882 | 87% | 0.873 | S | S | * | * | 0 | 0 | 0 | -66.2 | -57.8 | 0 | 0 | 0 | 129.1 | |||||
| 567 | D | 45.5 | Very low | 42.2 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 80% | 0.797 | 87% | 0.871 | S | S | * | * | 0 | 0 | 0 | -173.8 | 40.2 | 0 | 0 | 0 | 133.7 | |||||
| 568 | Y | 41.6 | Very low | 41.8 | Very low | 216 Ų | 216 | 159.6 Ų | 159.6 | 85% | 0.847 | 87% | 0.868 | S | S | * | * | 0 | 0 | 0 | -56.8 | -14.4 | 0 | 0 | 0 | 136.3 | |||||
| 569 | S | 45.4 | Very low | 41.8 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 95% | 0.951 | 86% | 0.862 | S | S | * | * | 0 | 0 | 0 | -77 | 0 | 0 | 0 | 0 | 134.8 | |||||
| 570 | S | 50.1 | Low | 41.3 | Very low | 134 Ų | 134 | 159.6 Ų | 159.6 | 94% | 0.937 | 86% | 0.86 | S | S | * | * | 0 | 0 | 0 | 53.6 | 0 | 0 | 0 | 0 | 135.1 | |||||
| 571 | L | 41.8 | Very low | 40.6 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | 0 | 0 | 0 | -103.4 | 169.6 | 0 | 0 | 0 | 134.2 | |||||
| 572 | L | 45.7 | Very low | 40 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 97% | 0.974 | 83% | 0.834 | S | S | * | * | 0 | 0 | 0 | -65 | -174.4 | 0 | 0 | 0 | 134.3 | |||||
| 573 | S | 47.6 | Very low | 39.1 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | 0 | 0 | 0 | 74.1 | 0 | 0 | 0 | 0 | 134.8 | |||||
| 574 | K | 45.7 | Very low | 38.1 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | 0 | 0 | 0 | -92.8 | 151.6 | -157 | 72.3 | 0 | 135.1 | |||||
| 575 | P | 45 | Very low | 37.1 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | 0 | 0 | 0 | 42.6 | -20.3 | 0 | 0 | 0 | 135.7 | |||||
| 576 | E | 35.7 | Very low | 35.6 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | 0 | 0 | 0 | -84.2 | 58.6 | -76.6 | 0 | 0 | 136 | |||||
| 577 | D | 36.9 | Very low | 34.1 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | 0 | 0 | 0 | -142.4 | -17.9 | 0 | 0 | 0 | 134.9 | |||||
| 578 | L | 31.2 | Very low | 32.8 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -64.9 | -178.1 | 0 | 0 | 0 | 136.6 | |||||
| 579 | P | 36.8 | Very low | 32.8 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | 0 | 0 | 0 | 46.1 | -30.6 | 0 | 0 | 0 | 137.4 | |||||
| 580 | E | 28.2 | Very low | 33.5 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | 0 | 0 | 0 | -66.1 | -154.7 | -141.6 | 0 | 0 | 135.8 | |||||
| 581 | K | 23.6 | Very low | 34 | Very low | 93 Ų | 93 | 120 Ų | 120 | 40% | 0.404 | 66% | 0.662 | S | S | . | * | 0 | 0 | 0 | -37 | -175.8 | -167.1 | 96.8 | 0 | 131.5 | F749 E752 | K581-F749 HydrophobicContact CD-CD2 3.79Å; K581-F749 HydrophobicContact CD-CE2 3.96Å; K581-F749 HydrophobicContact CG-CD2 4.09Å; K581-F749 HydrophobicContact CG-CE2 3.98Å; K581-E752 WeakPolarHBondContact CE-OE2 3.48Å; K581-E752 IonicContact NZ-OE2 3.77Å; K581-E752 PolarHBondContact NZ-OE2 2.97Å | |||
| 582 | T | 25.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 87% | 0.865 | 65% | 0.652 | S | S | * | * | 0 | 0 | 0 | 69.1 | 0 | 0 | 0 | 0 | 127.6 | |||||
| 583 | G | 24.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 113.4 Ų | 113.4 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 132.8 | |||||
| 584 | F | 19.4 | Very low | 36.5 | Very low | 164 Ų | 164 | 108.1 Ų | 108.1 | 72% | 0.719 | 58% | 0.584 | S | S | * | * | 0 | 0 | 0 | -51.8 | -53.6 | 0 | 0 | 0 | 137.1 | L673 | F584-L673 HydrophobicContact CB-CD2 3.88Å; F584-L673 HydrophobicContact CD2-CD2 4.21Å; F584-L673 HydrophobicContact CG-CD2 4.04Å | |||
| 585 | P | 21.1 | Very low | 37.9 | Very low | 98 Ų | 98 | 101.5 Ų | 101.5 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | 0 | 0 | 0 | 49.6 | -35.8 | 0 | 0 | 0 | 137.7 | L669 | P585-L669 WeakPolarHBondContact O-CD2 3.22Š| |||
| 586 | S | 12.1 | Very low | 39.4 | Very low | 77 Ų | 77 | 104.6 Ų | 104.6 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | 0 | 0 | 0 | -153.6 | 0 | 0 | 0 | 0 | 132.2 | K666 | S586-K666 WeakPolarHBondContact OG-CB 3.46Å; S586-K666 WeakPolarHBondContact OG-CD 3.43Å; S586-K666 VanDerWaalsContact OG-CG 3.22Å; S586-K666 WeakPolarHBondContact OG-CG 3.48Å | |||
| 587 | V | 12 | Very low | 41.4 | Very low | 97 Ų | 97 | 96.7 Ų | 96.7 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | 0 | 0 | 0 | -152.2 | 0 | 0 | 0 | 0 | 133.5 | K662 K666 | V587-K662 CarbonylContact C-O 3.47Å; V587-K666 HydrophobicContact CB-CD 4.01Å; V587-K666 HydrophobicContact CG1-CB 4.23Å; V587-K666 HydrophobicContact CG1-CD 3.35Å; V587-K666 HydrophobicContact CG1-CG 4.44Å; V587-K666 HydrophobicContact CG2-CD 3.84Å | |||
| 588 | G | 17.8 | Very low | 43.3 | Very low | 18 Ų | 18 | 91.5 Ų | 91.5 | 19% | 0.186 | 49% | 0.491 | C | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 142.7 | E658 K662 | G588-E658 VanDerWaalsContact C-C 3.5Å; G588-E658 CarbonylContact C-O 3.51Å; G588-K662 PolarHBondContact N-O 3.12Å; G588-K662 WeakPolarHBondContact O-CE 3.27Å; G588-K662 VanDerWaalsContact O-CG 3.22Å; G588-K662 WeakPolarHBondContact O-CG 3.33Å; G588-K662 PolarHBondContact O-NZ 3.48Å | |||
| 589 | R | 42.7 | Very low | 45.5 | Very low | 85 Ų | 85 | 88.4 Ų | 88.4 | 32% | 0.321 | 47% | 0.471 | S | S | . | . | 0 | 0 | 0 | -177.6 | -162 | 133.7 | -154.4 | 3 | 133.5 | Q654 H655 K656 A657 E658 M659 | R589-Q654 HydrophobicContact CG-CG 4.45Å; R589-Q654 WeakPolarHBondContact CG-O 3.48Å; R589-H655 VanDerWaalsContact C-C 3.43Å; R589-H655 CarbonylContact O-C 3.58Å; R589-K656 VanDerWaalsContact C-N 3.28Å; R589-K656 CarbonylContact O-C 3.6Å; R589-K656 WeakPolarHBondContact O-CA 3.47Å; R589-K656 PolarHBondContact O-N 2.87Å; R589-A657 PolarHBondContact O-N 2.97Å; R589-E658 VanDerWaalsContact C-C 3.45Å; R589-E658 HydrophobicContact CB-CB 3.48Å; R589-E658 VanDerWaalsContact CB-CB 3.48Å; R589-E658 HydrophobicContact CB-CG 3.72Å; R589-E658 WeakPolarHBondContact CD-OE2 3.16Å; R589-E658 HydrophobicContact CG-CB 3.81Å; R589-E658 HydrophobicContact CG-CG 4.31Å; R589-E658 IonicContact CZ-OE2 2.82Å; R589-E658 PolarHBondContact N-O 3.21Å; R589-E658 VanDerWaalsContact N-O 3.07Å; R589-E658 IonicContact NE-OE2 3.31Å; R589-E658 PolarHBondContact NE-OE2 3.46Å; R589-E658 VanDerWaalsContact NE-OE2 3.09Å; R589-E658 IonicContact NH1-OE2 2.64Å; R589-E658 PolarHBondContact NH1-OE2 3.08Å; R589-E658 IonicContact NH2-OE2 2.66Å; R589-E658 PolarHBondContact O-N 2.85Å; R589-M659 VanDerWaalsContact CA-CA 3.47Å; R589-M659 VanDerWaalsContact N-CB 3.3Å; R589-M659 PolarHBondContact N-SD 3.5Å; R589-M659 WeakPolarHBondContact O-CA 3.27Å; R589-M659 WeakPolarHBondContact O-CB 3.49Å; R589-M659 WeakPolarHBondContact O-CG 3.48Å; R589-M659 PolarHBondContact O-N 3.08Å | |||
| 590 | D | 59.4 | Low | 47.7 | Very low | 5 Ų | 5 | 85.2 Ų | 85.2 | 3% | 0.027 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | 0 | 0 | 0 | -37.2 | 77.5 | 0 | 0 | 0 | 142.9 | L645 D652 I653 Q654 K656 A657 E658 | D590-L645 WeakPolarHBondContact OD1-CD1 3.4Å; D590-D652 CarbonylContact O-C 3.55Å; D590-I653 VanDerWaalsContact C-N 3.35Å; D590-I653 PolarHBondContact O-N 3.18Å; D590-Q654 VanDerWaalsContact OD2-CA 3.26Å; D590-Q654 WeakPolarHBondContact OD2-CA 3.24Å; D590-Q654 PolarHBondContact OD2-N 3.45Å; D590-K656 VanDerWaalsContact C-C 3.43Å; D590-K656 VanDerWaalsContact C-CA 3.48Å; D590-K656 VanDerWaalsContact O-CA 3.23Å; D590-K656 WeakPolarHBondContact O-CA 3.36Å; D590-K656 WeakPolarHBondContact O-CB 3.31Å; D590-K656 PolarHBondContact O-N 2.99Å; D590-A657 HydrophobicContact CB-CB 3.41Å; D590-A657 VanDerWaalsContact CB-CB 3.41Å; D590-E658 VanDerWaalsContact N-N 3.13Å; D590-E658 WeakPolarHBondContact OD1-CB 3.45Å; D590-E658 PolarHBondContact OD1-N 3.45Å | |
| 591 | L | 60.3 | Low | 49.9 | Very low | 47 Ų | 47 | 77.7 Ų | 77.7 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | 0 | 0 | 0 | -152.6 | 60 | 0 | 0 | 0 | 136.6 | L594 I595 I653 K656 | L591-L594 WeakPolarHBondContact O-CB 3.39Å; L591-L594 WeakPolarHBondContact O-CD1 3.45Å; L591-L594 VanDerWaalsContact O-CG 3.28Å; L591-L594 WeakPolarHBondContact O-CG 3.39Å; L591-I595 HydrophobicContact CD1-CD1 3.98Å; L591-I595 HydrophobicContact CD1-CG1 4.42Å; L591-I595 PolarHBondContact O-N 3.37Å; L591-I653 HydrophobicContact CB-CB 4.46Å; L591-I653 HydrophobicContact CB-CD1 4.15Å; L591-I653 HydrophobicContact CB-CG1 3.33Å; L591-I653 HydrophobicContact CD2-CG1 4.43Å; L591-K656 HydrophobicContact CD1-CB 4.48Å; L591-K656 HydrophobicContact CD1-CD 3.52Å; L591-K656 HydrophobicContact CD1-CG 4.42Å | |||
| 592 | Q | 62.4 | Low | 52.4 | Low | 159 Ų | 159 | 75.8 Ų | 75.8 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | H | α-helix | 0 | -53.5 | 0 | -154.1 | -171.2 | 30.4 | 0 | 0 | 121.6 | L594 I595 | Q592-L594 PolarHBondContact O-N 2.93Å; Q592-L594 VanDerWaalsContact O-N 3.11Å; Q592-I595 PolarHBondContact O-N 2.95Å | |
| 593 | E | 58.4 | Low | 54.8 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 34% | 0.341 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.2 | -26.5 | 167.9 | -146.1 | -166.7 | -99 | 0 | 0 | 109.6 | R596 W597 R643 I644 | E593-R596 WeakPolarHBondContact O-CB 3.3Å; E593-R596 PolarHBondContact O-N 3.02Å; E593-W597 PolarHBondContact O-N 3.26Å; E593-W597 PolarHBondContact OE2-NE1 3.48Å; E593-R643 IonicContact OE1-CZ 2.98Å; E593-R643 IonicContact OE1-NH1 3.63Å; E593-R643 IonicContact OE1-NH2 3.09Å; E593-R643 PolarHBondContact OE1-NH2 3.49Å; E593-R643 IonicContact OE2-NH2 3.93Å; E593-R643 PolarHBondContact OE2-NH2 3.16Å; E593-I644 HydrophobicContact CB-CD1 3.5Å; E593-I644 HydrophobicContact CG-CD1 4.37Å |
| 594 | L | 66.9 | Low | 56.8 | Low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.3 | -48.9 | 162.9 | 170.9 | -72.8 | 0 | 0 | 0 | 115.5 | L591 Q592 R596 W597 D598 K656 A657 L660 | L591-L594 WeakPolarHBondContact O-CB 3.39Å; L591-L594 WeakPolarHBondContact O-CD1 3.45Å; L591-L594 VanDerWaalsContact O-CG 3.28Å; L591-L594 WeakPolarHBondContact O-CG 3.39Å; Q592-L594 PolarHBondContact O-N 2.93Å; Q592-L594 VanDerWaalsContact O-N 3.11Å; L594-R596 CarbonylContact O-C 3.58Å; L594-R596 PolarHBondContact O-N 2.87Å; L594-R596 VanDerWaalsContact O-N 3.08Å; L594-W597 CarbonylContact O-C 3.59Å; L594-W597 WeakPolarHBondContact O-CA 3.34Å; L594-W597 PolarHBondContact O-N 3.46Å; L594-D598 HydrophobicContact CD1-CB 4.49Å; L594-D598 HydrophobicContact CD2-CB 4.35Å; L594-D598 WeakPolarHBondContact O-CA 3.34Å; L594-D598 WeakPolarHBondContact O-CB 3.3Å; L594-D598 PolarHBondContact O-N 3.37Å; L594-K656 VanDerWaalsContact CD1-C 3.45Å; L594-K656 HydrophobicContact CD1-CB 3.49Å; L594-K656 VanDerWaalsContact CD1-CB 3.49Å; L594-K656 WeakPolarHBondContact CD1-O 3.39Å; L594-K656 VanDerWaalsContact CD2-O 3.26Å; L594-K656 WeakPolarHBondContact CD2-O 3.41Å; L594-K656 WeakPolarHBondContact CG-O 3.48Å; L594-A657 HydrophobicContact CB-CB 3.84Å; L594-A657 HydrophobicContact CD1-CB 4.39Å; L594-A657 VanDerWaalsContact CD2-CA 3.47Å; L594-A657 HydrophobicContact CD2-CB 3.47Å; L594-A657 VanDerWaalsContact CD2-CB 3.47Å; L594-A657 HydrophobicContact CG-CB 3.29Å; L594-L660 HydrophobicContact CD2-CB 3.05Å; L594-L660 HydrophobicContact CD2-CD2 3.42Å; L594-L660 VanDerWaalsContact CD2-CD2 3.42Å; L594-L660 HydrophobicContact CD2-CG 3.83Å; L594-L660 HydrophobicContact CG-CB 4.46Å |
| 595 | I | 76.7 | Confident | 59 | Low | 76 Ų | 76 | 63.8 Ų | 63.8 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -34.1 | 178.1 | -73.5 | 162.5 | 0 | 0 | 0 | 110.3 | L591 Q592 H599 | L591-I595 HydrophobicContact CD1-CD1 3.98Å; L591-I595 HydrophobicContact CD1-CG1 4.42Å; L591-I595 PolarHBondContact O-N 3.37Å; Q592-I595 PolarHBondContact O-N 2.95Å; I595-H599 WeakPolarHBondContact O-CB 3.28Å; I595-H599 PolarHBondContact O-N 3.04Å; I595-H599 PolarHBondContact O-ND1 3.48Å |
| 596 | R | 75.2 | Confident | 61.2 | Low | 173 Ų | 173 | 66.2 Ų | 66.2 | 65% | 0.653 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.5 | -44.6 | 169.8 | 173.7 | -170.2 | -177.4 | -174.4 | 3.5 | 113 | E593 L594 D598 W600 | E593-R596 WeakPolarHBondContact O-CB 3.3Å; E593-R596 PolarHBondContact O-N 3.02Å; L594-R596 CarbonylContact O-C 3.58Å; L594-R596 PolarHBondContact O-N 2.87Å; L594-R596 VanDerWaalsContact O-N 3.08Å; R596-D598 PolarHBondContact O-N 3.14Å; R596-W600 WeakPolarHBondContact O-CB 3.32Å; R596-W600 PolarHBondContact O-N 3.37Å |
| 597 | W | 78.9 | Confident | 63.8 | Low | 18 Ų | 18 | 69.8 Ų | 69.8 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.4 | -19.8 | 177.1 | -69.5 | 125 | 0 | 0 | 0 | 113.7 | E593 L594 W600 L601 N637 K640 V641 L660 W664 | E593-W597 PolarHBondContact O-N 3.26Å; E593-W597 PolarHBondContact OE2-NE1 3.48Å; L594-W597 CarbonylContact O-C 3.59Å; L594-W597 WeakPolarHBondContact O-CA 3.34Å; L594-W597 PolarHBondContact O-N 3.46Å; W597-W600 HydrophobicContact CE3-CB 4.3Å; W597-W600 HydrophobicContact CE3-CD2 4Å; W597-W600 AromaticContact CE3-CE3 3.83Å; W597-W600 HydrophobicContact CE3-CE3 3.83Å; W597-W600 HydrophobicContact CE3-CG 4.21Å; W597-W600 HydrophobicContact CZ3-CD2 4.08Å; W597-W600 HydrophobicContact CZ3-CE3 4.2Å; W597-W600 HydrophobicContact CZ3-CG 4.32Å; W597-L601 VanDerWaalsContact O-CB 3.24Å; W597-L601 WeakPolarHBondContact O-CB 3.06Å; W597-L601 PolarHBondContact O-N 3Å; W597-N637 HydrophobicContact CE3-CB 4.13Å; W597-N637 HydrophobicContact CH2-CB 4.05Å; W597-N637 HydrophobicContact CZ3-CB 3.71Å; W597-N637 VanDerWaalsContact CZ3-CG 3.42Å; W597-N637 WeakPolarHBondContact CZ3-ND2 3.49Å; W597-K640 HydrophobicContact CH2-CD 3.82Å; W597-K640 HydrophobicContact CZ2-CB 4.2Å; W597-K640 HydrophobicContact CZ2-CD 3.35Å; W597-K640 HydrophobicContact CZ2-CG 4.39Å; W597-V641 HydrophobicContact CB-CG2 4.42Å; W597-V641 HydrophobicContact CG-CG2 4.28Å; W597-L660 HydrophobicContact CB-CD2 3.2Å; W597-L660 HydrophobicContact CG-CD2 4.42Å; W597-L660 WeakPolarHBondContact O-CD2 3.39Å; W597-W664 HydrophobicContact CB-CZ3 4.03Å; W597-W664 HydrophobicContact CD2-CH2 4.42Å; W597-W664 AromaticContact CE3-CH2 3.97Å; W597-W664 HydrophobicContact CE3-CH2 3.97Å; W597-W664 HydrophobicContact CE3-CZ3 4.29Å |
| 598 | D | 75.5 | Confident | 66.2 | Low | 66 Ų | 66 | 67.8 Ų | 67.8 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -86.7 | -44.5 | -179.3 | -179.9 | 66.1 | 0 | 0 | 0 | 111 | L594 R596 L601 A602 L660 | L594-D598 HydrophobicContact CD1-CB 4.49Å; L594-D598 HydrophobicContact CD2-CB 4.35Å; L594-D598 WeakPolarHBondContact O-CA 3.34Å; L594-D598 WeakPolarHBondContact O-CB 3.3Å; L594-D598 PolarHBondContact O-N 3.37Å; R596-D598 PolarHBondContact O-N 3.14Å; D598-L601 PolarHBondContact O-N 3.47Å; D598-A602 VanDerWaalsContact O-CB 3.31Å; D598-A602 WeakPolarHBondContact O-CB 3.38Å; D598-A602 PolarHBondContact O-N 3.45Å; D598-L660 HydrophobicContact CB-CD1 3.99Å |
| 599 | H | 78.1 | Confident | 68.4 | Low | 112 Ų | 112 | 72.2 Ų | 72.2 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 161.6 | -73.6 | 58.3 | 0 | 0 | 0 | 110.4 | I595 L601 A602 D603 | I595-H599 WeakPolarHBondContact O-CB 3.28Å; I595-H599 PolarHBondContact O-N 3.04Å; I595-H599 PolarHBondContact O-ND1 3.48Å; H599-L601 PolarHBondContact O-N 3.16Å; H599-A602 PolarHBondContact O-N 3.43Å; H599-D603 VanDerWaalsContact O-CB 3.26Å; H599-D603 WeakPolarHBondContact O-CB 3.43Å; H599-D603 PolarHBondContact O-N 3.3Å |
| 600 | W | 81.8 | Confident | 69.6 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 177.5 | 179.2 | 74.9 | 0 | 0 | 0 | 112.7 | R596 W597 T604 Q633 L634 N637 W664 | R596-W600 WeakPolarHBondContact O-CB 3.32Å; R596-W600 PolarHBondContact O-N 3.37Å; W597-W600 HydrophobicContact CE3-CB 4.3Å; W597-W600 HydrophobicContact CE3-CD2 4Å; W597-W600 AromaticContact CE3-CE3 3.83Å; W597-W600 HydrophobicContact CE3-CE3 3.83Å; W597-W600 HydrophobicContact CE3-CG 4.21Å; W597-W600 HydrophobicContact CZ3-CD2 4.08Å; W597-W600 HydrophobicContact CZ3-CE3 4.2Å; W597-W600 HydrophobicContact CZ3-CG 4.32Å; W600-T604 HydrophobicContact CD2-CG2 4.46Å; W600-T604 HydrophobicContact CZ2-CG2 4.2Å; W600-T604 WeakPolarHBondContact O-CB 3.42Å; W600-T604 WeakPolarHBondContact O-CG2 3.01Å; W600-T604 PolarHBondContact O-N 3.03Å; W600-T604 PolarHBondContact O-OG1 2.68Å; W600-Q633 HydrophobicContact CH2-CB 3.98Å; W600-Q633 HydrophobicContact CZ2-CB 4Å; W600-L634 HydrophobicContact CH2-CD2 4.37Å; W600-L634 HydrophobicContact CZ3-CD2 4.14Å; W600-N637 HydrophobicContact CH2-CB 4.49Å; W600-N637 VanDerWaalsContact CH2-ND2 3.32Å; W600-N637 WeakPolarHBondContact CH2-ND2 3.4Å; W600-N637 VanDerWaalsContact CZ2-ND2 3.3Å; W600-N637 WeakPolarHBondContact CZ2-ND2 3.43Å; W600-N637 HydrophobicContact CZ3-CB 4.37Å; W600-W664 AromaticContact CE3-CH2 3.58Å; W600-W664 HydrophobicContact CE3-CH2 3.58Å; W600-W664 AromaticContact CE3-CZ3 3.62Å; W600-W664 HydrophobicContact CE3-CZ3 3.62Å; W600-W664 HydrophobicContact CH2-CH2 4.3Å; W600-W664 HydrophobicContact CZ3-CE3 4.41Å; W600-W664 AromaticContact CZ3-CH2 3.23Å; W600-W664 HydrophobicContact CZ3-CH2 3.23Å; W600-W664 AromaticContact CZ3-CZ2 3.76Å; W600-W664 HydrophobicContact CZ3-CZ2 3.76Å; W600-W664 AromaticContact CZ3-CZ3 3.59Å; W600-W664 HydrophobicContact CZ3-CZ3 3.59Å |
| 601 | L | 75.1 | Confident | 70.5 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -40.1 | 177.2 | -171 | 70.4 | 0 | 0 | 0 | 111.2 | W597 D598 H599 T605 L634 L660 E663 W664 R667 | W597-L601 VanDerWaalsContact O-CB 3.24Å; W597-L601 WeakPolarHBondContact O-CB 3.06Å; W597-L601 PolarHBondContact O-N 3Å; D598-L601 PolarHBondContact O-N 3.47Å; H599-L601 PolarHBondContact O-N 3.16Å; L601-T605 WeakPolarHBondContact O-CB 3.3Å; L601-T605 PolarHBondContact O-N 2.9Å; L601-T605 PolarHBondContact O-OG1 3.33Å; L601-L634 HydrophobicContact CD1-CD2 3.33Å; L601-L660 HydrophobicContact CB-CD1 3.66Å; L601-L660 HydrophobicContact CD2-CD1 3.35Å; L601-L660 HydrophobicContact CD2-CG 4.27Å; L601-L660 HydrophobicContact CG-CD1 4.13Å; L601-E663 HydrophobicContact CD2-CB 4.21Å; L601-E663 HydrophobicContact CD2-CG 3.81Å; L601-W664 HydrophobicContact CB-CE3 4.25Å; L601-W664 HydrophobicContact CB-CZ3 4.49Å; L601-W664 HydrophobicContact CD1-CD2 4.19Å; L601-W664 HydrophobicContact CD1-CE3 3.91Å; L601-W664 HydrophobicContact CD1-CZ3 4.49Å; L601-W664 HydrophobicContact CD2-CB 4.04Å; L601-W664 HydrophobicContact CD2-CE3 4.1Å; L601-W664 HydrophobicContact CG-CE3 4.32Å; L601-R667 HydrophobicContact CD1-CB 4.1Å; L601-R667 HydrophobicContact CD1-CG 3.95Å; L601-R667 HydrophobicContact CD2-CG 3.92Å; L601-R667 HydrophobicContact CG-CG 4.05Å |
| 602 | A | 76 | Confident | 71.6 | Confident | 53 Ų | 53 | 74 Ų | 74 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -56 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D598 H599 T604 T605 D606 | D598-A602 VanDerWaalsContact O-CB 3.31Å; D598-A602 WeakPolarHBondContact O-CB 3.38Å; D598-A602 PolarHBondContact O-N 3.45Å; H599-A602 PolarHBondContact O-N 3.43Å; A602-T604 VanDerWaalsContact C-N 3.28Å; A602-T604 PolarHBondContact O-N 3.29Å; A602-T605 WeakPolarHBondContact O-CB 3.4Å; A602-T605 PolarHBondContact O-N 2.98Å; A602-D606 PolarHBondContact O-N 2.98Å |
| 603 | D | 76 | Confident | 72.6 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.2 | -43.1 | 179.1 | -64.8 | -20.5 | 0 | 0 | 0 | 111.3 | H599 | H599-D603 VanDerWaalsContact O-CB 3.26Å; H599-D603 WeakPolarHBondContact O-CB 3.43Å; H599-D603 PolarHBondContact O-N 3.3Å |
| 604 | T | 66.5 | Low | 73.8 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -84.3 | -15.1 | 178.5 | 58.1 | 0 | 0 | 0 | 0 | 114.8 | W600 A602 Y608 F630 | W600-T604 HydrophobicContact CD2-CG2 4.46Å; W600-T604 HydrophobicContact CZ2-CG2 4.2Å; W600-T604 WeakPolarHBondContact O-CB 3.42Å; W600-T604 WeakPolarHBondContact O-CG2 3.01Å; W600-T604 PolarHBondContact O-N 3.03Å; W600-T604 PolarHBondContact O-OG1 2.68Å; A602-T604 VanDerWaalsContact C-N 3.28Å; A602-T604 PolarHBondContact O-N 3.29Å; T604-Y608 VanDerWaalsContact O-CD2 3.26Å; T604-Y608 WeakPolarHBondContact O-CD2 3.41Å; T604-Y608 PolarHBondContact O-N 3.45Å; T604-F630 WeakPolarHBondContact OG1-CE2 3.09Å |
| 605 | T | 65.3 | Low | 74.1 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 170.4 | -68.1 | 0 | 0 | 0 | 0 | 110 | L601 A602 E607 Y608 R667 | L601-T605 WeakPolarHBondContact O-CB 3.3Å; L601-T605 PolarHBondContact O-N 2.9Å; L601-T605 PolarHBondContact O-OG1 3.33Å; A602-T605 WeakPolarHBondContact O-CB 3.4Å; A602-T605 PolarHBondContact O-N 2.98Å; T605-E607 VanDerWaalsContact C-N 3.28Å; T605-E607 PolarHBondContact O-N 2.94Å; T605-Y608 PolarHBondContact O-N 3.48Å; T605-R667 VanDerWaalsContact CG2-NH1 3.3Å |
| 606 | D | 68.2 | Low | 74.5 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 80% | 0.797 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.8 | -22.8 | -178.3 | -74.5 | -1.9 | 0 | 0 | 0 | 112.6 | A602 | A602-D606 PolarHBondContact O-N 2.98Å |
| 607 | E | 65.8 | Low | 74.9 | Confident | 152 Ų | 152 | 58.6 Ų | 58.6 | 71% | 0.71 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -83.3 | -23 | 177.4 | -77.5 | -168.4 | 156 | 0 | 0 | 115.3 | T605 | T605-E607 VanDerWaalsContact C-N 3.28Å; T605-E607 PolarHBondContact O-N 2.94Å |
| 608 | Y | 64.2 | Low | 75.2 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -108.5 | -13.8 | -164.7 | -84.6 | -95.9 | 0 | 0 | 0 | 117.1 | T604 T605 A610 F630 Q633 | T604-Y608 VanDerWaalsContact O-CD2 3.26Å; T604-Y608 WeakPolarHBondContact O-CD2 3.41Å; T604-Y608 PolarHBondContact O-N 3.45Å; T605-Y608 PolarHBondContact O-N 3.48Å; Y608-A610 PolarHBondContact O-N 3.37Å; Y608-A610 VanDerWaalsContact O-N 3.08Å; Y608-F630 HydrophobicContact CD1-CB 3.56Å; Y608-F630 HydrophobicContact CD1-CD2 4.45Å; Y608-F630 HydrophobicContact CD1-CG 4.02Å; Y608-F630 HydrophobicContact CD2-CD2 4.24Å; Y608-F630 HydrophobicContact CD2-CG 4.45Å; Y608-F630 HydrophobicContact CE1-CB 4.13Å; Y608-F630 HydrophobicContact CG-CB 3.91Å; Y608-F630 HydrophobicContact CG-CD1 4.22Å; Y608-F630 HydrophobicContact CG-CD2 4.07Å; Y608-F630 AromaticContact CG-CG 3.82Å; Y608-F630 HydrophobicContact CG-CG 3.82Å; Y608-Q633 PolarHBondContact OH-NE2 3.13Å |
| 609 | H | 63.6 | Low | 75.7 | Confident | 111 Ų | 111 | 62.9 Ų | 62.9 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | trans | -66.8 | 108.6 | -178.8 | -120.8 | -23.1 | 0 | 0 | 0 | 111.8 | E627 | H609-E627 IonicContact ND1-OE1 3.14Š| ||
| 610 | A | 66.6 | Low | 76 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | trans | -107 | 108.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y608 A623 K626 E627 R674 | Y608-A610 PolarHBondContact O-N 3.37Å; Y608-A610 VanDerWaalsContact O-N 3.08Å; A610-A623 HydrophobicContact CB-CB 3.81Å; A610-K626 HydrophobicContact CB-CD 4.37Å; A610-E627 PolarHBondContact N-OE1 2.85Å; A610-R674 PolarHBondContact O-NE 2.96Å; A610-R674 PolarHBondContact O-NH2 3Å | ||
| 611 | F | 79.5 | Confident | 76.2 | Confident | 150 Ų | 150 | 59.8 Ų | 59.8 | 66% | 0.658 | 30% | 0.296 | S | S | * | . | trans | -80.2 | 153.2 | 162 | -56.9 | -77.7 | 0 | 0 | 0 | 111 | H756 D757 | F611-H756 VanDerWaalsContact CD1-O 3.26Å; F611-H756 WeakPolarHBondContact CD1-O 3.28Å; F611-H756 HydrophobicContact CE1-CB 4.36Å; F611-D757 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 612 | C | 83.8 | Confident | 76.6 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | trans | -145.1 | 172.9 | -178.4 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | E619 A623 M681 D757 D758 | C612-E619 HydrophobicContact CB-CB 3.97Å; C612-A623 HydrophobicContact CB-CB 4.35Å; C612-M681 WeakPolarHBondContact SG-CE 3.23Å; C612-D757 PolarHBondContact N-OD1 3.19Å; C612-D757 WeakPolarHBondContact O-CB 3.49Å; C612-D757 PolarHBondContact SG-OD1 2.91Å; C612-D758 PolarHBondContact O-N 3.13Å | ||
| 613 | K | 83.2 | Confident | 77 | Confident | 68 Ų | 68 | 62 Ų | 62 | 30% | 0.296 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -86.2 | 134.3 | 171.7 | -74.9 | 173.8 | -148.8 | 72.6 | 0 | 112.4 | M616 E619 D758 | K613-M616 HydrophobicContact CB-CB 3.85Å; K613-M616 HydrophobicContact CB-CG 3.66Å; K613-M616 HydrophobicContact CD-CG 4.35Å; K613-M616 WeakPolarHBondContact O-CB 3.26Å; K613-M616 PolarHBondContact O-N 2.88Å; K613-M616 VanDerWaalsContact O-N 3.16Å; K613-E619 WeakPolarHBondContact CB-OE2 3.32Å; K613-E619 WeakPolarHBondContact CG-OE2 3.47Å; K613-E619 PolarHBondContact N-OE2 2.83Å; K613-E619 VanDerWaalsContact N-OE2 3.11Å; K613-E619 IonicContact NZ-OE1 2.85Å; K613-E619 PolarHBondContact NZ-OE1 3.23Å; K613-E619 IonicContact NZ-OE2 2.64Å; K613-E619 PolarHBondContact NZ-OE2 3.13Å; K613-D758 HydrophobicContact CG-CB 3.84Å; K613-D758 WeakPolarHBondContact CG-OD2 3.29Å |
| 614 | L | 82 | Confident | 77.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 136.7 | 170 | -78.6 | 155.8 | 0 | 0 | 0 | 110.9 | M616 M681 M750 Y754 D757 D758 A759 L762 | L614-M616 PolarHBondContact O-N 3.07Å; L614-M681 HydrophobicContact CD2-CG 3.92Å; L614-M681 HydrophobicContact CD2-SD 3.46Å; L614-M681 WeakPolarHBondContact CD2-SD 3.35Å; L614-M681 HydrophobicContact CG-SD 4.11Å; L614-M750 HydrophobicContact CD2-CE 3.86Å; L614-Y754 HydrophobicContact CD2-CD2 3.53Å; L614-Y754 HydrophobicContact CD2-CE2 4.5Å; L614-Y754 HydrophobicContact CD2-CG 3.9Å; L614-D757 HydrophobicContact CD1-CB 4.47Å; L614-D757 HydrophobicContact CG-CB 4.29Å; L614-D758 PolarHBondContact N-O 3.4Å; L614-A759 HydrophobicContact CD1-CB 3.82Å; L614-L762 HydrophobicContact CB-CB 4.46Å; L614-L762 HydrophobicContact CB-CD1 4.33Å |
| 615 | G | 75.1 | Confident | 78.2 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -13.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I617 S685 | G615-I617 PolarHBondContact O-N 3.18Å; G615-I617 VanDerWaalsContact O-N 3.15Å; G615-S685 PolarHBondContact N-OG 3.29Å |
| 616 | M | 84.1 | Confident | 79 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | trans | -88 | 84.4 | 178.6 | -71.1 | -69.2 | 165.8 | 0 | 0 | 111 | K613 L614 E618 E619 I620 S761 M765 | K613-M616 HydrophobicContact CB-CB 3.85Å; K613-M616 HydrophobicContact CB-CG 3.66Å; K613-M616 HydrophobicContact CD-CG 4.35Å; K613-M616 WeakPolarHBondContact O-CB 3.26Å; K613-M616 PolarHBondContact O-N 2.88Å; K613-M616 VanDerWaalsContact O-N 3.16Å; L614-M616 PolarHBondContact O-N 3.07Å; M616-E618 PolarHBondContact O-N 2.63Å; M616-E618 VanDerWaalsContact O-N 3.1Å; M616-E619 HydrophobicContact CB-CB 3.95Å; M616-E619 HydrophobicContact CB-CG 3.98Å; M616-E619 PolarHBondContact O-N 2.69Å; M616-I620 WeakPolarHBondContact O-CG1 3.33Å; M616-I620 PolarHBondContact O-N 3.09Å; M616-S761 WeakPolarHBondContact CE-OG 3.39Å; M616-M765 HydrophobicContact CE-CE 3.84Å | ||
| 617 | I | 84.5 | Confident | 79.7 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51 | -37.6 | -176.7 | -67.5 | -177.9 | 0 | 0 | 0 | 113.1 | G615 R621 L682 R686 D689 | G615-I617 PolarHBondContact O-N 3.18Å; G615-I617 VanDerWaalsContact O-N 3.15Å; I617-R621 HydrophobicContact CG2-CG 4.39Å; I617-R621 VanDerWaalsContact CG2-CZ 3.46Å; I617-R621 VanDerWaalsContact CG2-NE 3.31Å; I617-R621 WeakPolarHBondContact O-CB 3.5Å; I617-R621 WeakPolarHBondContact O-CD 3.27Å; I617-R621 WeakPolarHBondContact O-CG 3.46Å; I617-R621 PolarHBondContact O-N 3.26Å; I617-L682 HydrophobicContact CG2-CD1 4.01Å; I617-R686 HydrophobicContact CD1-CG 3.92Å; I617-D689 HydrophobicContact CD1-CB 3.93Å; I617-D689 VanDerWaalsContact CD1-OD2 3.25Å; I617-D689 WeakPolarHBondContact CD1-OD2 3.38Å |
| 618 | E | 85.2 | Confident | 80.4 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 49% | 0.486 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -33.6 | 176.3 | -73.3 | -54.1 | 138.6 | 0 | 0 | 114.1 | M616 R621 E622 K625 | M616-E618 PolarHBondContact O-N 2.63Å; M616-E618 VanDerWaalsContact O-N 3.1Å; E618-R621 PolarHBondContact O-N 3.17Å; E618-R621 VanDerWaalsContact OE1-CD 3.25Å; E618-R621 WeakPolarHBondContact OE1-CD 3.48Å; E618-R621 IonicContact OE1-CZ 3.87Å; E618-R621 IonicContact OE1-NE 3.16Å; E618-R621 IonicContact OE1-NH1 2.69Å; E618-R621 PolarHBondContact OE1-NH1 3.35Å; E618-E622 WeakPolarHBondContact O-CB 3.2Å; E618-E622 PolarHBondContact O-N 2.95Å; E618-K625 IonicContact OE2-NZ 2.86Å |
| 619 | E | 84.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 58 Ų | 58 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 173.9 | -67 | -169.9 | -164.8 | 0 | 0 | 110.8 | C612 K613 M616 E622 A623 | C612-E619 HydrophobicContact CB-CB 3.97Å; K613-E619 WeakPolarHBondContact CB-OE2 3.32Å; K613-E619 WeakPolarHBondContact CG-OE2 3.47Å; K613-E619 PolarHBondContact N-OE2 2.83Å; K613-E619 VanDerWaalsContact N-OE2 3.11Å; K613-E619 IonicContact NZ-OE1 2.85Å; K613-E619 PolarHBondContact NZ-OE1 3.23Å; K613-E619 IonicContact NZ-OE2 2.64Å; K613-E619 PolarHBondContact NZ-OE2 3.13Å; M616-E619 HydrophobicContact CB-CB 3.95Å; M616-E619 HydrophobicContact CB-CG 3.98Å; M616-E619 PolarHBondContact O-N 2.69Å; E619-E622 PolarHBondContact O-N 3.4Å; E619-A623 WeakPolarHBondContact O-CB 3.17Å; E619-A623 PolarHBondContact O-N 3.44Å |
| 620 | I | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 173.7 | -58.9 | 158.7 | 0 | 0 | 0 | 110.1 | M616 E622 A623 M624 L678 M681 L682 S685 | M616-I620 WeakPolarHBondContact O-CG1 3.33Å; M616-I620 PolarHBondContact O-N 3.09Å; I620-E622 VanDerWaalsContact C-N 3.27Å; I620-E622 PolarHBondContact O-N 3.36Å; I620-A623 PolarHBondContact O-N 2.94Å; I620-M624 WeakPolarHBondContact O-CG 3.41Å; I620-M624 PolarHBondContact O-N 2.89Å; I620-L678 HydrophobicContact CG2-CD2 4.3Å; I620-L678 WeakPolarHBondContact CG2-O 3.41Å; I620-M681 HydrophobicContact CD1-CG 3.94Å; I620-M681 HydrophobicContact CG1-CE 4.48Å; I620-M681 HydrophobicContact CG1-CG 4.33Å; I620-L682 HydrophobicContact CB-CD1 4.23Å; I620-L682 HydrophobicContact CG2-CB 3.87Å; I620-L682 HydrophobicContact CG2-CD1 3.92Å; I620-L682 HydrophobicContact CG2-CG 4.5Å; I620-S685 WeakPolarHBondContact CD1-OG 3.49Å |
| 621 | R | 86.2 | Confident | 82.5 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 173.7 | -76.5 | 167.9 | -177.7 | 178.8 | 6.4 | 112.3 | I617 E618 K625 L682 | I617-R621 HydrophobicContact CG2-CG 4.39Å; I617-R621 VanDerWaalsContact CG2-CZ 3.46Å; I617-R621 VanDerWaalsContact CG2-NE 3.31Å; I617-R621 WeakPolarHBondContact O-CB 3.5Å; I617-R621 WeakPolarHBondContact O-CD 3.27Å; I617-R621 WeakPolarHBondContact O-CG 3.46Å; I617-R621 PolarHBondContact O-N 3.26Å; E618-R621 PolarHBondContact O-N 3.17Å; E618-R621 VanDerWaalsContact OE1-CD 3.25Å; E618-R621 WeakPolarHBondContact OE1-CD 3.48Å; E618-R621 IonicContact OE1-CZ 3.87Å; E618-R621 IonicContact OE1-NE 3.16Å; E618-R621 IonicContact OE1-NH1 2.69Å; E618-R621 PolarHBondContact OE1-NH1 3.35Å; R621-K625 WeakPolarHBondContact O-CD 3.45Å; R621-K625 WeakPolarHBondContact O-CG 3.48Å; R621-K625 PolarHBondContact O-N 3.31Å; R621-L682 HydrophobicContact CG-CD1 3.93Å |
| 622 | E | 84.2 | Confident | 82.5 | Confident | 99 Ų | 99 | 48.5 Ų | 48.5 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -78.7 | -36.4 | 178.7 | -165 | 172.3 | 129.3 | 0 | 0 | 112.9 | E618 E619 I620 M624 K625 K626 | E618-E622 WeakPolarHBondContact O-CB 3.2Å; E618-E622 PolarHBondContact O-N 2.95Å; E619-E622 PolarHBondContact O-N 3.4Å; I620-E622 VanDerWaalsContact C-N 3.27Å; I620-E622 PolarHBondContact O-N 3.36Å; E622-M624 VanDerWaalsContact C-N 3.33Å; E622-K625 PolarHBondContact O-N 3.15Å; E622-K626 WeakPolarHBondContact O-CG 3.44Å; E622-K626 PolarHBondContact O-N 2.88Å; E622-K626 WeakPolarHBondContact OE1-CE 3.48Å; E622-K626 IonicContact OE1-NZ 2.61Å; E622-K626 PolarHBondContact OE1-NZ 2.97Å |
| 623 | A | 83.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A610 C612 E619 I620 K625 K626 E627 L678 | A610-A623 HydrophobicContact CB-CB 3.81Å; C612-A623 HydrophobicContact CB-CB 4.35Å; E619-A623 WeakPolarHBondContact O-CB 3.17Å; E619-A623 PolarHBondContact O-N 3.44Å; I620-A623 PolarHBondContact O-N 2.94Å; A623-K625 PolarHBondContact O-N 2.89Å; A623-K626 PolarHBondContact O-N 3.2Å; A623-K626 VanDerWaalsContact O-N 3.13Å; A623-E627 WeakPolarHBondContact O-CG 3.26Å; A623-E627 PolarHBondContact O-N 3.18Å; A623-L678 HydrophobicContact CB-CD1 3.94Å; A623-L678 HydrophobicContact CB-CD2 3.7Å |
| 624 | M | 84.7 | Confident | 82 | Confident | 32 Ų | 32 | 48 Ų | 48 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 174 | -70.7 | -178.5 | 82.9 | 0 | 0 | 112.6 | I620 E622 K626 Q628 L678 N679 L682 | I620-M624 WeakPolarHBondContact O-CG 3.41Å; I620-M624 PolarHBondContact O-N 2.89Å; E622-M624 VanDerWaalsContact C-N 3.33Å; M624-K626 VanDerWaalsContact C-N 3.33Å; M624-K626 PolarHBondContact O-N 2.84Å; M624-Q628 WeakPolarHBondContact O-CB 3.43Å; M624-Q628 PolarHBondContact O-N 2.63Å; M624-L678 HydrophobicContact CG-CB 3.54Å; M624-L678 HydrophobicContact CG-CD1 4.01Å; M624-L678 HydrophobicContact CG-CG 4.33Å; M624-L678 HydrophobicContact SD-CB 4.36Å; M624-N679 HydrophobicContact CE-CB 3.89Å; M624-L682 HydrophobicContact SD-CB 4.39Å; M624-L682 HydrophobicContact SD-CD2 3.76Å |
| 625 | K | 83.8 | Confident | 81.8 | Confident | 114 Ų | 114 | 52.5 Ų | 52.5 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.7 | -72.3 | 161.8 | -159.3 | 158 | 0 | 111.7 | E618 R621 E622 A623 A629 | E618-K625 IonicContact OE2-NZ 2.86Å; R621-K625 WeakPolarHBondContact O-CD 3.45Å; R621-K625 WeakPolarHBondContact O-CG 3.48Å; R621-K625 PolarHBondContact O-N 3.31Å; E622-K625 PolarHBondContact O-N 3.15Å; A623-K625 PolarHBondContact O-N 2.89Å; K625-A629 WeakPolarHBondContact O-CB 3.44Å; K625-A629 PolarHBondContact O-N 2.82Å |
| 626 | K | 81.2 | Confident | 81.8 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.4 | -53.1 | 177.7 | -73.5 | 167.4 | -175.9 | 159.6 | 0 | 111.3 | A610 E622 A623 M624 Q628 A629 F630 | A610-K626 HydrophobicContact CB-CD 4.37Å; E622-K626 WeakPolarHBondContact O-CG 3.44Å; E622-K626 PolarHBondContact O-N 2.88Å; E622-K626 WeakPolarHBondContact OE1-CE 3.48Å; E622-K626 IonicContact OE1-NZ 2.61Å; E622-K626 PolarHBondContact OE1-NZ 2.97Å; A623-K626 PolarHBondContact O-N 3.2Å; A623-K626 VanDerWaalsContact O-N 3.13Å; M624-K626 VanDerWaalsContact C-N 3.33Å; M624-K626 PolarHBondContact O-N 2.84Å; K626-Q628 VanDerWaalsContact C-N 3.32Å; K626-Q628 PolarHBondContact O-N 3.21Å; K626-A629 PolarHBondContact O-N 2.9Å; K626-F630 PolarHBondContact O-N 3.46Å |
| 627 | E | 82.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 177.7 | -64.9 | -69.9 | -175.5 | 0 | 0 | 111.7 | H609 A610 A623 F630 S631 V671 R674 L675 L678 | H609-E627 IonicContact ND1-OE1 3.14Å; A610-E627 PolarHBondContact N-OE1 2.85Å; A623-E627 WeakPolarHBondContact O-CG 3.26Å; A623-E627 PolarHBondContact O-N 3.18Å; E627-F630 PolarHBondContact O-N 3.42Å; E627-S631 WeakPolarHBondContact O-CB 3.26Å; E627-S631 PolarHBondContact O-N 2.87Å; E627-V671 HydrophobicContact CB-CG1 4.29Å; E627-V671 VanDerWaalsContact O-CG1 3.26Å; E627-V671 WeakPolarHBondContact O-CG1 3.48Å; E627-R674 HydrophobicContact CG-CG 4.13Å; E627-L675 HydrophobicContact CB-CD2 3.78Å; E627-L675 HydrophobicContact CB-CG 3.92Å; E627-L678 HydrophobicContact CB-CD1 4.42Å; E627-L678 HydrophobicContact CG-CD1 3.85Å |
| 628 | Q | 81.7 | Confident | 80.9 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.7 | -33.8 | 176.4 | -168.1 | 172.7 | 28 | 0 | 0 | 112.4 | M624 K626 S632 L675 | M624-Q628 WeakPolarHBondContact O-CB 3.43Å; M624-Q628 PolarHBondContact O-N 2.63Å; K626-Q628 VanDerWaalsContact C-N 3.32Å; K626-Q628 PolarHBondContact O-N 3.21Å; Q628-S632 WeakPolarHBondContact O-CB 3.37Å; Q628-S632 PolarHBondContact O-N 2.87Å; Q628-S632 PolarHBondContact O-OG 3.3Å; Q628-L675 HydrophobicContact CB-CD2 4.15Å |
| 629 | A | 77.5 | Confident | 80.5 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K625 K626 S632 Q633 | K625-A629 WeakPolarHBondContact O-CB 3.44Å; K625-A629 PolarHBondContact O-N 2.82Å; K626-A629 PolarHBondContact O-N 2.9Å; A629-S632 WeakPolarHBondContact O-CB 3.45Å; A629-S632 PolarHBondContact O-N 3.26Å; A629-Q633 WeakPolarHBondContact O-CG 3.33Å; A629-Q633 PolarHBondContact O-N 3.04Å |
| 630 | F | 82.4 | Confident | 79.6 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -49.9 | 174 | -169.4 | -150.4 | 0 | 0 | 0 | 111.3 | T604 Y608 K626 E627 S632 Q633 L634 V671 | T604-F630 WeakPolarHBondContact OG1-CE2 3.09Å; Y608-F630 HydrophobicContact CD1-CB 3.56Å; Y608-F630 HydrophobicContact CD1-CD2 4.45Å; Y608-F630 HydrophobicContact CD1-CG 4.02Å; Y608-F630 HydrophobicContact CD2-CD2 4.24Å; Y608-F630 HydrophobicContact CD2-CG 4.45Å; Y608-F630 HydrophobicContact CE1-CB 4.13Å; Y608-F630 HydrophobicContact CG-CB 3.91Å; Y608-F630 HydrophobicContact CG-CD1 4.22Å; Y608-F630 HydrophobicContact CG-CD2 4.07Å; Y608-F630 AromaticContact CG-CG 3.82Å; Y608-F630 HydrophobicContact CG-CG 3.82Å; K626-F630 PolarHBondContact O-N 3.46Å; E627-F630 PolarHBondContact O-N 3.42Å; F630-S632 PolarHBondContact O-N 3.44Å; F630-Q633 PolarHBondContact O-N 2.7Å; F630-L634 HydrophobicContact CD1-CD1 4.23Å; F630-L634 HydrophobicContact CD2-CD1 4.26Å; F630-L634 HydrophobicContact CD2-CG 4.1Å; F630-L634 HydrophobicContact CE1-CD1 4.17Å; F630-L634 HydrophobicContact CE2-CD1 4.21Å; F630-L634 HydrophobicContact CE2-CD2 4.03Å; F630-L634 HydrophobicContact CE2-CG 4Å; F630-L634 HydrophobicContact CG-CD1 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.16Å; F630-L634 HydrophobicContact CZ-CD2 4.26Å; F630-L634 HydrophobicContact CZ-CG 4.38Å; F630-L634 WeakPolarHBondContact O-CG 3.36Å; F630-L634 PolarHBondContact O-N 3.18Å; F630-V671 HydrophobicContact CD1-CG2 3.39Å; F630-V671 HydrophobicContact CE1-CG2 3.69Å; F630-V671 HydrophobicContact CG-CG2 4.41Å |
| 631 | S | 78.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.7 | -38.9 | 172.5 | -160.1 | 0 | 0 | 0 | 0 | 111.9 | E627 K635 | E627-S631 WeakPolarHBondContact O-CB 3.26Å; E627-S631 PolarHBondContact O-N 2.87Å; S631-K635 WeakPolarHBondContact O-CB 3.33Å; S631-K635 WeakPolarHBondContact O-CD 3.35Å; S631-K635 VanDerWaalsContact O-CG 3.27Å; S631-K635 WeakPolarHBondContact O-CG 3.21Å; S631-K635 PolarHBondContact O-N 3.42Å; S631-K635 PolarHBondContact OG-NZ 3.27Å |
| 632 | S | 78.8 | Confident | 78.5 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | Q628 A629 F630 K635 V636 | Q628-S632 WeakPolarHBondContact O-CB 3.37Å; Q628-S632 PolarHBondContact O-N 2.87Å; Q628-S632 PolarHBondContact O-OG 3.3Å; A629-S632 WeakPolarHBondContact O-CB 3.45Å; A629-S632 PolarHBondContact O-N 3.26Å; F630-S632 PolarHBondContact O-N 3.44Å; S632-K635 PolarHBondContact O-N 3.43Å; S632-V636 WeakPolarHBondContact O-CB 3.43Å; S632-V636 VanDerWaalsContact O-CG2 3.27Å; S632-V636 WeakPolarHBondContact O-CG2 3.38Å; S632-V636 PolarHBondContact O-N 3Å |
| 633 | Q | 76.1 | Confident | 77.6 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.5 | -71.8 | 176.7 | 69.6 | 0 | 0 | 112.1 | W600 Y608 A629 F630 K635 V636 N637 | W600-Q633 HydrophobicContact CH2-CB 3.98Å; W600-Q633 HydrophobicContact CZ2-CB 4Å; Y608-Q633 PolarHBondContact OH-NE2 3.13Å; A629-Q633 WeakPolarHBondContact O-CG 3.33Å; A629-Q633 PolarHBondContact O-N 3.04Å; F630-Q633 PolarHBondContact O-N 2.7Å; Q633-K635 VanDerWaalsContact C-N 3.34Å; Q633-K635 PolarHBondContact O-N 2.94Å; Q633-V636 PolarHBondContact O-N 3.43Å; Q633-N637 WeakPolarHBondContact O-CB 3.45Å; Q633-N637 PolarHBondContact O-N 2.93Å; Q633-N637 PolarHBondContact O-ND2 3.46Å |
| 634 | L | 80.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 171.9 | -68.8 | 170.3 | 0 | 0 | 0 | 110.4 | W600 L601 F630 V636 N637 L638 W664 R667 V668 V671 | W600-L634 HydrophobicContact CH2-CD2 4.37Å; W600-L634 HydrophobicContact CZ3-CD2 4.14Å; L601-L634 HydrophobicContact CD1-CD2 3.33Å; F630-L634 HydrophobicContact CD1-CD1 4.23Å; F630-L634 HydrophobicContact CD2-CD1 4.26Å; F630-L634 HydrophobicContact CD2-CG 4.1Å; F630-L634 HydrophobicContact CE1-CD1 4.17Å; F630-L634 HydrophobicContact CE2-CD1 4.21Å; F630-L634 HydrophobicContact CE2-CD2 4.03Å; F630-L634 HydrophobicContact CE2-CG 4Å; F630-L634 HydrophobicContact CG-CD1 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.16Å; F630-L634 HydrophobicContact CZ-CD2 4.26Å; F630-L634 HydrophobicContact CZ-CG 4.38Å; F630-L634 WeakPolarHBondContact O-CG 3.36Å; F630-L634 PolarHBondContact O-N 3.18Å; L634-V636 PolarHBondContact O-N 3.34Å; L634-N637 PolarHBondContact O-N 2.89Å; L634-L638 WeakPolarHBondContact O-CB 3.45Å; L634-L638 PolarHBondContact O-N 2.98Å; L634-W664 HydrophobicContact CD2-CD2 4.06Å; L634-W664 HydrophobicContact CD2-CG 4.25Å; L634-W664 HydrophobicContact CD2-CZ2 4.36Å; L634-W664 VanDerWaalsContact O-CZ2 3.26Å; L634-W664 WeakPolarHBondContact O-CZ2 3.3Å; L634-W664 PolarHBondContact O-NE1 3.37Å; L634-R667 HydrophobicContact CD1-CB 4.34Å; L634-V668 HydrophobicContact CB-CG2 3.82Å; L634-V668 HydrophobicContact CD1-CG2 3.98Å; L634-V668 HydrophobicContact CG-CG2 4.42Å; L634-V671 HydrophobicContact CD1-CG2 4.17Å |
| 635 | K | 77.5 | Confident | 75.8 | Confident | 97 Ų | 97 | 55 Ų | 55 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.3 | -30.2 | 179.9 | -73.8 | 162.4 | -178.8 | 157.9 | 0 | 113.7 | S631 S632 Q633 P639 E672 | S631-K635 WeakPolarHBondContact O-CB 3.33Å; S631-K635 WeakPolarHBondContact O-CD 3.35Å; S631-K635 VanDerWaalsContact O-CG 3.27Å; S631-K635 WeakPolarHBondContact O-CG 3.21Å; S631-K635 PolarHBondContact O-N 3.42Å; S631-K635 PolarHBondContact OG-NZ 3.27Å; S632-K635 PolarHBondContact O-N 3.43Å; Q633-K635 VanDerWaalsContact C-N 3.34Å; Q633-K635 PolarHBondContact O-N 2.94Å; K635-P639 WeakPolarHBondContact O-CD 3.46Å; K635-E672 WeakPolarHBondContact CE-OE1 3.28Å; K635-E672 IonicContact NZ-OE1 3.86Å; K635-E672 PolarHBondContact NZ-OE1 3.2Å |
| 636 | V | 75.2 | Confident | 75 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -75.9 | -32 | 175.3 | 164.9 | 0 | 0 | 0 | 0 | 112.9 | S632 Q633 L634 | S632-V636 WeakPolarHBondContact O-CB 3.43Å; S632-V636 VanDerWaalsContact O-CG2 3.27Å; S632-V636 WeakPolarHBondContact O-CG2 3.38Å; S632-V636 PolarHBondContact O-N 3Å; Q633-V636 PolarHBondContact O-N 3.43Å; L634-V636 PolarHBondContact O-N 3.34Å |
| 637 | N | 75 | Confident | 74 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -92.2 | -24.3 | -179.6 | -65.1 | -34.4 | 0 | 0 | 0 | 113 | W597 W600 Q633 L634 P639 K640 W664 | W597-N637 HydrophobicContact CE3-CB 4.13Å; W597-N637 HydrophobicContact CH2-CB 4.05Å; W597-N637 HydrophobicContact CZ3-CB 3.71Å; W597-N637 VanDerWaalsContact CZ3-CG 3.42Å; W597-N637 WeakPolarHBondContact CZ3-ND2 3.49Å; W600-N637 HydrophobicContact CH2-CB 4.49Å; W600-N637 VanDerWaalsContact CH2-ND2 3.32Å; W600-N637 WeakPolarHBondContact CH2-ND2 3.4Å; W600-N637 VanDerWaalsContact CZ2-ND2 3.3Å; W600-N637 WeakPolarHBondContact CZ2-ND2 3.43Å; W600-N637 HydrophobicContact CZ3-CB 4.37Å; Q633-N637 WeakPolarHBondContact O-CB 3.45Å; Q633-N637 PolarHBondContact O-N 2.93Å; Q633-N637 PolarHBondContact O-ND2 3.46Å; L634-N637 PolarHBondContact O-N 2.89Å; N637-P639 VanDerWaalsContact C-CD 3.47Å; N637-K640 WeakPolarHBondContact O-CB 3.39Å; N637-K640 WeakPolarHBondContact O-CG 3.26Å; N637-K640 PolarHBondContact O-N 2.89Å; N637-K640 PolarHBondContact OD1-NZ 2.84Å; N637-W664 HydrophobicContact CB-CH2 3.43Å; N637-W664 VanDerWaalsContact CB-CH2 3.43Å; N637-W664 HydrophobicContact CB-CZ2 3.46Å; N637-W664 VanDerWaalsContact CB-CZ2 3.46Å |
| 638 | L | 75.7 | Confident | 72.9 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 17% | 0.173 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -50.8 | -43.9 | 179.8 | 179 | 63.3 | 0 | 0 | 0 | 114.6 | L634 K640 V641 I642 Y661 W664 | L634-L638 WeakPolarHBondContact O-CB 3.45Å; L634-L638 PolarHBondContact O-N 2.98Å; L638-K640 PolarHBondContact O-N 2.89Å; L638-K640 VanDerWaalsContact O-N 3.07Å; L638-V641 WeakPolarHBondContact O-CB 3.34Å; L638-V641 PolarHBondContact O-N 3.05Å; L638-I642 HydrophobicContact CD1-CD1 4.28Å; L638-I642 HydrophobicContact CD1-CG1 4.22Å; L638-I642 HydrophobicContact CD2-CD1 4.26Å; L638-I642 HydrophobicContact CG-CD1 3.81Å; L638-I642 HydrophobicContact CG-CG1 4.21Å; L638-I642 PolarHBondContact O-N 3.25Å; L638-Y661 HydrophobicContact CD1-CD2 3.48Å; L638-Y661 VanDerWaalsContact CD1-CD2 3.48Å; L638-Y661 HydrophobicContact CD1-CE2 3.86Å; L638-Y661 HydrophobicContact CD1-CG 4.38Å; L638-W664 HydrophobicContact CB-CZ2 4.36Å; L638-W664 HydrophobicContact CD1-CG 4.34Å; L638-W664 VanDerWaalsContact N-CZ2 3.32Å |
| 639 | P | 75.1 | Confident | 71.9 | Confident | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -21.8 | 178.4 | -24.5 | 35.5 | 0 | 0 | 0 | 113.6 | K635 N637 R643 | K635-P639 WeakPolarHBondContact O-CD 3.46Å; N637-P639 VanDerWaalsContact C-CD 3.47Å; P639-R643 WeakPolarHBondContact O-CB 3.41Å; P639-R643 PolarHBondContact O-N 3.37Å |
| 640 | K | 67.3 | Low | 71 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.4 | -31.5 | 179.1 | -52.5 | 171.9 | -170.6 | 171.6 | 0 | 110.9 | W597 N637 L638 R643 I644 | W597-K640 HydrophobicContact CH2-CD 3.82Å; W597-K640 HydrophobicContact CZ2-CB 4.2Å; W597-K640 HydrophobicContact CZ2-CD 3.35Å; W597-K640 HydrophobicContact CZ2-CG 4.39Å; N637-K640 WeakPolarHBondContact O-CB 3.39Å; N637-K640 WeakPolarHBondContact O-CG 3.26Å; N637-K640 PolarHBondContact O-N 2.89Å; N637-K640 PolarHBondContact OD1-NZ 2.84Å; L638-K640 PolarHBondContact O-N 2.89Å; L638-K640 VanDerWaalsContact O-N 3.07Å; K640-R643 PolarHBondContact O-NE 3.24Å; K640-R643 PolarHBondContact O-NH2 2.82Å; K640-I644 VanDerWaalsContact O-CD1 3.26Å; K640-I644 WeakPolarHBondContact O-CD1 3.25Å; K640-I644 WeakPolarHBondContact O-CG1 3.48Å |
| 641 | V | 75.4 | Confident | 70 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.3 | -53.2 | 171 | -168.9 | 0 | 0 | 0 | 0 | 110.3 | W597 L638 R643 I644 L645 A657 L660 W664 | W597-V641 HydrophobicContact CB-CG2 4.42Å; W597-V641 HydrophobicContact CG-CG2 4.28Å; L638-V641 WeakPolarHBondContact O-CB 3.34Å; L638-V641 PolarHBondContact O-N 3.05Å; V641-R643 VanDerWaalsContact C-N 3.31Å; V641-R643 PolarHBondContact O-N 3.44Å; V641-I644 PolarHBondContact O-N 3.32Å; V641-L645 PolarHBondContact O-N 3.26Å; V641-L645 VanDerWaalsContact O-N 3.08Å; V641-A657 HydrophobicContact CG1-CB 4.27Å; V641-A657 WeakPolarHBondContact CG1-O 3.48Å; V641-L660 HydrophobicContact CG2-CD2 4.12Å; V641-W664 HydrophobicContact CG2-CE3 4.49Å; V641-W664 HydrophobicContact CG2-CH2 4.37Å; V641-W664 HydrophobicContact CG2-CZ3 4.26Å |
| 642 | I | 71.5 | Confident | 69.4 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -53.8 | -46.5 | 178.7 | -62.8 | 172.7 | 0 | 0 | 0 | 111.4 | L638 I644 L645 E646 Y661 | L638-I642 HydrophobicContact CD1-CD1 4.28Å; L638-I642 HydrophobicContact CD1-CG1 4.22Å; L638-I642 HydrophobicContact CD2-CD1 4.26Å; L638-I642 HydrophobicContact CG-CD1 3.81Å; L638-I642 HydrophobicContact CG-CG1 4.21Å; L638-I642 PolarHBondContact O-N 3.25Å; I642-I644 PolarHBondContact O-N 2.91Å; I642-I644 VanDerWaalsContact O-N 3.11Å; I642-L645 WeakPolarHBondContact O-CA 3.27Å; I642-L645 VanDerWaalsContact O-CB 3.28Å; I642-L645 WeakPolarHBondContact O-CB 3.43Å; I642-L645 PolarHBondContact O-N 2.73Å; I642-E646 HydrophobicContact CG2-CG 4.18Å; I642-E646 WeakPolarHBondContact O-CG 3.43Å; I642-E646 PolarHBondContact O-N 3Å; I642-Y661 HydrophobicContact CD1-CD2 4.29Å; I642-Y661 HydrophobicContact CD1-CE2 3.84Å; I642-Y661 HydrophobicContact CG1-CD2 3.6Å; I642-Y661 HydrophobicContact CG1-CE2 3.59Å |
| 643 | R | 65.6 | Low | 68.4 | Low | 110 Ų | 110 | 72.6 Ų | 72.6 | 42% | 0.415 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -51.4 | -37.4 | 176 | 169.5 | -160.8 | 57.9 | 148 | 0.5 | 112.7 | E593 P639 K640 V641 C647 | E593-R643 IonicContact OE1-CZ 2.98Å; E593-R643 IonicContact OE1-NH1 3.63Å; E593-R643 IonicContact OE1-NH2 3.09Å; E593-R643 PolarHBondContact OE1-NH2 3.49Å; E593-R643 IonicContact OE2-NH2 3.93Å; E593-R643 PolarHBondContact OE2-NH2 3.16Å; P639-R643 WeakPolarHBondContact O-CB 3.41Å; P639-R643 PolarHBondContact O-N 3.37Å; K640-R643 PolarHBondContact O-NE 3.24Å; K640-R643 PolarHBondContact O-NH2 2.82Å; V641-R643 VanDerWaalsContact C-N 3.31Å; V641-R643 PolarHBondContact O-N 3.44Å; R643-C647 WeakPolarHBondContact O-CB 3.28Å; R643-C647 PolarHBondContact O-N 3.01Å; R643-C647 PolarHBondContact O-SG 3.46Å |
| 644 | I | 62.2 | Low | 67.8 | Low | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.4 | -40.7 | 179.8 | -56.8 | 161.5 | 0 | 0 | 0 | 109.8 | E593 K640 V641 I642 E646 C647 D648 | E593-I644 HydrophobicContact CB-CD1 3.5Å; E593-I644 HydrophobicContact CG-CD1 4.37Å; K640-I644 VanDerWaalsContact O-CD1 3.26Å; K640-I644 WeakPolarHBondContact O-CD1 3.25Å; K640-I644 WeakPolarHBondContact O-CG1 3.48Å; V641-I644 PolarHBondContact O-N 3.32Å; I642-I644 PolarHBondContact O-N 2.91Å; I642-I644 VanDerWaalsContact O-N 3.11Å; I644-E646 PolarHBondContact O-N 2.99Å; I644-C647 PolarHBondContact O-N 3.4Å; I644-D648 HydrophobicContact CG2-CB 3.78Å; I644-D648 VanDerWaalsContact O-CB 3.25Å; I644-D648 WeakPolarHBondContact O-CB 3.48Å; I644-D648 PolarHBondContact O-N 2.93Å |
| 645 | L | 69 | Low | 67.3 | Low | 62 Ų | 62 | 81 Ų | 81 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.1 | -36.3 | 173.2 | -172 | 74.6 | 0 | 0 | 0 | 112.4 | D590 V641 I642 E658 | D590-L645 WeakPolarHBondContact OD1-CD1 3.4Å; V641-L645 PolarHBondContact O-N 3.26Å; V641-L645 VanDerWaalsContact O-N 3.08Å; I642-L645 WeakPolarHBondContact O-CA 3.27Å; I642-L645 VanDerWaalsContact O-CB 3.28Å; I642-L645 WeakPolarHBondContact O-CB 3.43Å; I642-L645 PolarHBondContact O-N 2.73Å; L645-E658 HydrophobicContact CD1-CB 4.07Å |
| 646 | E | 67 | Low | 67 | Low | 153 Ų | 153 | 79.4 Ų | 79.4 | 72% | 0.715 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -88.2 | -32.1 | 179.8 | -64.9 | 177.5 | 147.4 | 0 | 0 | 113.9 | I642 I644 | I642-E646 HydrophobicContact CG2-CG 4.18Å; I642-E646 WeakPolarHBondContact O-CG 3.43Å; I642-E646 PolarHBondContact O-N 3Å; I644-E646 PolarHBondContact O-N 2.99Å |
| 647 | C | 59.8 | Low | 66.4 | Low | 89 Ų | 89 | 75 Ų | 75 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -99.4 | -23.5 | -171.3 | -63.6 | 0 | 0 | 0 | 0 | 115.4 | R643 I644 | R643-C647 WeakPolarHBondContact O-CB 3.28Å; R643-C647 PolarHBondContact O-N 3.01Å; R643-C647 PolarHBondContact O-SG 3.46Å; I644-C647 PolarHBondContact O-N 3.4Å |
| 648 | D | 58.6 | Low | 66.1 | Low | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | trans | -93.2 | 128.6 | -166.6 | -157.4 | -5 | 0 | 0 | 0 | 112.7 | I644 N650 | I644-D648 HydrophobicContact CG2-CB 3.78Å; I644-D648 VanDerWaalsContact O-CB 3.25Å; I644-D648 WeakPolarHBondContact O-CB 3.48Å; I644-D648 PolarHBondContact O-N 2.93Å; D648-N650 PolarHBondContact O-N 3.41Å | ||
| 649 | Q | 60.3 | Low | 66.1 | Low | 193 Ų | 193 | 78.4 Ų | 78.4 | 90% | 0.902 | 40% | 0.396 | S | S | * | . | trans | -98.5 | 33.7 | -158.6 | -59.7 | -176 | 1.4 | 0 | 0 | 113.7 | ||||
| 650 | N | 58.7 | Low | 66.1 | Low | 89 Ų | 89 | 74.9 Ų | 74.9 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | trans | -131.6 | 160.9 | -172.2 | -176.9 | -40.4 | 0 | 0 | 0 | 110 | D648 D652 I653 | D648-N650 PolarHBondContact O-N 3.41Å; N650-D652 PolarHBondContact OD1-N 3.42Å; N650-I653 HydrophobicContact CB-CB 4.07Å; N650-I653 HydrophobicContact CB-CD1 3.58Å; N650-I653 HydrophobicContact CB-CG1 4.29Å; N650-I653 HydrophobicContact CB-CG2 4.21Å; N650-I653 WeakPolarHBondContact O-CB 3.42Å; N650-I653 WeakPolarHBondContact O-CG2 3.17Å | ||
| 651 | T | 62.1 | Low | 66.5 | Low | 103 Ų | 103 | 74 Ų | 74 | 63% | 0.632 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -114.8 | 14.6 | -176.2 | 62 | 0 | 0 | 0 | 0 | 115.8 | I653 Q654 | T651-I653 CarbonylContact C-O 3.23Å; T651-I653 VanDerWaalsContact C-O 3.23Å; T651-I653 WeakPolarHBondContact CA-O 3.44Å; T651-I653 CarbonylContact O-C 3.59Å; T651-Q654 WeakPolarHBondContact O-CB 3.35Å; T651-Q654 PolarHBondContact O-N 2.77Å |
| 652 | D | 65.7 | Low | 66.4 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -94.6 | -27 | 173.6 | -177.2 | -103.5 | 0 | 0 | 0 | 117.6 | D590 N650 Q654 H655 K656 | D590-D652 CarbonylContact O-C 3.55Å; N650-D652 PolarHBondContact OD1-N 3.42Å; D652-Q654 PolarHBondContact O-N 2.72Å; D652-Q654 VanDerWaalsContact O-N 3.08Å; D652-H655 PolarHBondContact O-N 3.13Å; D652-K656 PolarHBondContact O-NZ 3.37Å; D652-K656 IonicContact OD1-NZ 2.79Å; D652-K656 PolarHBondContact OD1-NZ 3.07Å; D652-K656 IonicContact OD2-NZ 2.79Å; D652-K656 PolarHBondContact OD2-NZ 2.9Å |
| 653 | I | 59.2 | Low | 66.6 | Low | 24 Ų | 24 | 76.4 Ų | 76.4 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | cis | 40.6 | 19 | 48 | -38 | 178.8 | 0 | 0 | 0 | 111.8 | D590 L591 N650 T651 | D590-I653 VanDerWaalsContact C-N 3.35Å; D590-I653 PolarHBondContact O-N 3.18Å; L591-I653 HydrophobicContact CB-CB 4.46Å; L591-I653 HydrophobicContact CB-CD1 4.15Å; L591-I653 HydrophobicContact CB-CG1 3.33Å; L591-I653 HydrophobicContact CD2-CG1 4.43Å; N650-I653 HydrophobicContact CB-CB 4.07Å; N650-I653 HydrophobicContact CB-CD1 3.58Å; N650-I653 HydrophobicContact CB-CG1 4.29Å; N650-I653 HydrophobicContact CB-CG2 4.21Å; N650-I653 WeakPolarHBondContact O-CB 3.42Å; N650-I653 WeakPolarHBondContact O-CG2 3.17Å; T651-I653 CarbonylContact C-O 3.23Å; T651-I653 VanDerWaalsContact C-O 3.23Å; T651-I653 WeakPolarHBondContact CA-O 3.44Å; T651-I653 CarbonylContact O-C 3.59Å |
| 654 | Q | 62.2 | Low | 67.5 | Low | 95 Ų | 95 | 71.1 Ų | 71.1 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -161.6 | 18.7 | 162.9 | -148 | 167 | 44.5 | 0 | 0 | 111.2 | R589 D590 T651 D652 | R589-Q654 HydrophobicContact CG-CG 4.45Å; R589-Q654 WeakPolarHBondContact CG-O 3.48Å; D590-Q654 VanDerWaalsContact OD2-CA 3.26Å; D590-Q654 WeakPolarHBondContact OD2-CA 3.24Å; D590-Q654 PolarHBondContact OD2-N 3.45Å; T651-Q654 WeakPolarHBondContact O-CB 3.35Å; T651-Q654 PolarHBondContact O-N 2.77Å; D652-Q654 PolarHBondContact O-N 2.72Å; D652-Q654 VanDerWaalsContact O-N 3.08Å |
| 655 | H | 69.8 | Low | 68.2 | Low | 145 Ų | 145 | 73.6 Ų | 73.6 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -144.5 | -6 | 175.9 | -106 | 48.1 | 0 | 0 | 0 | 118.9 | R589 D652 M659 | R589-H655 VanDerWaalsContact C-C 3.43Å; R589-H655 CarbonylContact O-C 3.58Å; D652-H655 PolarHBondContact O-N 3.13Å; H655-M659 WeakPolarHBondContact O-CG 3.33Å |
| 656 | K | 70.5 | Confident | 68.6 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -127.7 | -11.6 | 176.4 | -46.9 | 102.4 | -151.6 | 162.7 | 0 | 122.8 | R589 D590 L591 L594 D652 L660 | R589-K656 VanDerWaalsContact C-N 3.28Å; R589-K656 CarbonylContact O-C 3.6Å; R589-K656 WeakPolarHBondContact O-CA 3.47Å; R589-K656 PolarHBondContact O-N 2.87Å; D590-K656 VanDerWaalsContact C-C 3.43Å; D590-K656 VanDerWaalsContact C-CA 3.48Å; D590-K656 VanDerWaalsContact O-CA 3.23Å; D590-K656 WeakPolarHBondContact O-CA 3.36Å; D590-K656 WeakPolarHBondContact O-CB 3.31Å; D590-K656 PolarHBondContact O-N 2.99Å; L591-K656 HydrophobicContact CD1-CB 4.48Å; L591-K656 HydrophobicContact CD1-CD 3.52Å; L591-K656 HydrophobicContact CD1-CG 4.42Å; L594-K656 VanDerWaalsContact CD1-C 3.45Å; L594-K656 HydrophobicContact CD1-CB 3.49Å; L594-K656 VanDerWaalsContact CD1-CB 3.49Å; L594-K656 WeakPolarHBondContact CD1-O 3.39Å; L594-K656 VanDerWaalsContact CD2-O 3.26Å; L594-K656 WeakPolarHBondContact CD2-O 3.41Å; L594-K656 WeakPolarHBondContact CG-O 3.48Å; D652-K656 PolarHBondContact O-NZ 3.37Å; D652-K656 IonicContact OD1-NZ 2.79Å; D652-K656 PolarHBondContact OD1-NZ 3.07Å; D652-K656 IonicContact OD2-NZ 2.79Å; D652-K656 PolarHBondContact OD2-NZ 2.9Å; K656-L660 PolarHBondContact O-N 2.98Å |
| 657 | A | 62.7 | Low | 69.3 | Low | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -119.6 | -23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | R589 D590 L594 V641 Y661 | R589-A657 PolarHBondContact O-N 2.97Å; D590-A657 HydrophobicContact CB-CB 3.41Å; D590-A657 VanDerWaalsContact CB-CB 3.41Å; L594-A657 HydrophobicContact CB-CB 3.84Å; L594-A657 HydrophobicContact CD1-CB 4.39Å; L594-A657 VanDerWaalsContact CD2-CA 3.47Å; L594-A657 HydrophobicContact CD2-CB 3.47Å; L594-A657 VanDerWaalsContact CD2-CB 3.47Å; L594-A657 HydrophobicContact CG-CB 3.29Å; V641-A657 HydrophobicContact CG1-CB 4.27Å; V641-A657 WeakPolarHBondContact CG1-O 3.48Å; A657-Y661 WeakPolarHBondContact O-CA 3.36Å; A657-Y661 WeakPolarHBondContact O-CB 3.47Å; A657-Y661 PolarHBondContact O-N 3.31Å |
| 658 | E | 69.1 | Low | 70.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -9.5 | 144.9 | -179.4 | -164.5 | 136 | 0 | 0 | 108.2 | G588 R589 D590 L645 K662 | G588-E658 VanDerWaalsContact C-C 3.5Å; G588-E658 CarbonylContact C-O 3.51Å; R589-E658 VanDerWaalsContact C-C 3.45Å; R589-E658 HydrophobicContact CB-CB 3.48Å; R589-E658 VanDerWaalsContact CB-CB 3.48Å; R589-E658 HydrophobicContact CB-CG 3.72Å; R589-E658 WeakPolarHBondContact CD-OE2 3.16Å; R589-E658 HydrophobicContact CG-CB 3.81Å; R589-E658 HydrophobicContact CG-CG 4.31Å; R589-E658 IonicContact CZ-OE2 2.82Å; R589-E658 PolarHBondContact N-O 3.21Å; R589-E658 VanDerWaalsContact N-O 3.07Å; R589-E658 IonicContact NE-OE2 3.31Å; R589-E658 PolarHBondContact NE-OE2 3.46Å; R589-E658 VanDerWaalsContact NE-OE2 3.09Å; R589-E658 IonicContact NH1-OE2 2.64Å; R589-E658 PolarHBondContact NH1-OE2 3.08Å; R589-E658 IonicContact NH2-OE2 2.66Å; R589-E658 PolarHBondContact O-N 2.85Å; D590-E658 VanDerWaalsContact N-N 3.13Å; D590-E658 WeakPolarHBondContact OD1-CB 3.45Å; D590-E658 PolarHBondContact OD1-N 3.45Å; L645-E658 HydrophobicContact CD1-CB 4.07Å; E658-K662 HydrophobicContact CG-CD 4.41Å; E658-K662 HydrophobicContact CG-CG 3.98Å; E658-K662 WeakPolarHBondContact O-CA 3.44Å; E658-K662 WeakPolarHBondContact O-CG 3.36Å; E658-K662 PolarHBondContact O-N 3.22Å; E658-K662 WeakPolarHBondContact OE1-CE 3.4Å; E658-K662 IonicContact OE1-NZ 2.69Å; E658-K662 PolarHBondContact OE1-NZ 3.44Å |
| 659 | M | 76.1 | Confident | 71.1 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -91.4 | -43.7 | 179.3 | -81.4 | -65.5 | -77.7 | 0 | 0 | 105.2 | R589 H655 E663 | R589-M659 VanDerWaalsContact CA-CA 3.47Å; R589-M659 VanDerWaalsContact N-CB 3.3Å; R589-M659 PolarHBondContact N-SD 3.5Å; R589-M659 WeakPolarHBondContact O-CA 3.27Å; R589-M659 WeakPolarHBondContact O-CB 3.49Å; R589-M659 WeakPolarHBondContact O-CG 3.48Å; R589-M659 PolarHBondContact O-N 3.08Å; H655-M659 WeakPolarHBondContact O-CG 3.33Å; M659-E663 VanDerWaalsContact O-CA 3.25Å; M659-E663 WeakPolarHBondContact O-CA 3.42Å; M659-E663 WeakPolarHBondContact O-CB 3.35Å; M659-E663 PolarHBondContact O-N 2.97Å |
| 660 | L | 74.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -59.5 | 157 | -164.7 | 73.4 | 0 | 0 | 0 | 111.5 | L594 W597 D598 L601 V641 K656 K662 E663 W664 | L594-L660 HydrophobicContact CD2-CB 3.05Å; L594-L660 HydrophobicContact CD2-CD2 3.42Å; L594-L660 VanDerWaalsContact CD2-CD2 3.42Å; L594-L660 HydrophobicContact CD2-CG 3.83Å; L594-L660 HydrophobicContact CG-CB 4.46Å; W597-L660 HydrophobicContact CB-CD2 3.2Å; W597-L660 HydrophobicContact CG-CD2 4.42Å; W597-L660 WeakPolarHBondContact O-CD2 3.39Å; D598-L660 HydrophobicContact CB-CD1 3.99Å; L601-L660 HydrophobicContact CB-CD1 3.66Å; L601-L660 HydrophobicContact CD2-CD1 3.35Å; L601-L660 HydrophobicContact CD2-CG 4.27Å; L601-L660 HydrophobicContact CG-CD1 4.13Å; V641-L660 HydrophobicContact CG2-CD2 4.12Å; K656-L660 PolarHBondContact O-N 2.98Å; L660-K662 PolarHBondContact O-N 3.36Å; L660-E663 CarbonylContact O-C 2.97Å; L660-E663 PolarHBondContact O-N 3.45Å; L660-W664 HydrophobicContact CD1-CE3 4.11Å; L660-W664 HydrophobicContact CD2-CE3 3.62Å; L660-W664 HydrophobicContact CD2-CZ3 3.73Å; L660-W664 HydrophobicContact CG-CE3 3.66Å; L660-W664 HydrophobicContact CG-CZ3 4.28Å; L660-W664 WeakPolarHBondContact O-CA 3.29Å; L660-W664 WeakPolarHBondContact O-CB 3.35Å; L660-W664 PolarHBondContact O-N 3.42Å |
| 661 | Y | 76.1 | Confident | 73.2 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.3 | -33 | -174.4 | 160.3 | -71.5 | 0 | 0 | 0 | 113.8 | L638 I642 A657 W664 E665 | L638-Y661 HydrophobicContact CD1-CD2 3.48Å; L638-Y661 VanDerWaalsContact CD1-CD2 3.48Å; L638-Y661 HydrophobicContact CD1-CE2 3.86Å; L638-Y661 HydrophobicContact CD1-CG 4.38Å; I642-Y661 HydrophobicContact CD1-CD2 4.29Å; I642-Y661 HydrophobicContact CD1-CE2 3.84Å; I642-Y661 HydrophobicContact CG1-CD2 3.6Å; I642-Y661 HydrophobicContact CG1-CE2 3.59Å; A657-Y661 WeakPolarHBondContact O-CA 3.36Å; A657-Y661 WeakPolarHBondContact O-CB 3.47Å; A657-Y661 PolarHBondContact O-N 3.31Å; Y661-W664 CarbonylContact O-C 3.45Å; Y661-W664 WeakPolarHBondContact O-CB 3.49Å; Y661-E665 HydrophobicContact CD1-CG 4.3Å; Y661-E665 HydrophobicContact CE1-CG 3.74Å; Y661-E665 WeakPolarHBondContact CE1-OE1 3.23Å; Y661-E665 WeakPolarHBondContact O-CG 3.42Å; Y661-E665 PolarHBondContact O-N 2.87Å; Y661-E665 PolarHBondContact OH-OE1 3.07Å |
| 662 | K | 73.1 | Confident | 74.1 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -109.8 | 6.4 | 169.8 | 53.5 | 171.9 | 158.1 | 80.5 | 0 | 118.8 | V587 G588 E658 L660 W664 E665 K666 | V587-K662 CarbonylContact C-O 3.47Å; G588-K662 PolarHBondContact N-O 3.12Å; G588-K662 WeakPolarHBondContact O-CE 3.27Å; G588-K662 VanDerWaalsContact O-CG 3.22Å; G588-K662 WeakPolarHBondContact O-CG 3.33Å; G588-K662 PolarHBondContact O-NZ 3.48Å; E658-K662 HydrophobicContact CG-CD 4.41Å; E658-K662 HydrophobicContact CG-CG 3.98Å; E658-K662 WeakPolarHBondContact O-CA 3.44Å; E658-K662 WeakPolarHBondContact O-CG 3.36Å; E658-K662 PolarHBondContact O-N 3.22Å; E658-K662 WeakPolarHBondContact OE1-CE 3.4Å; E658-K662 IonicContact OE1-NZ 2.69Å; E658-K662 PolarHBondContact OE1-NZ 3.44Å; L660-K662 PolarHBondContact O-N 3.36Å; K662-W664 VanDerWaalsContact C-N 3.27Å; K662-E665 HydrophobicContact CB-CB 3.75Å; K662-E665 HydrophobicContact CB-CG 4Å; K662-E665 WeakPolarHBondContact CB-OE2 3.36Å; K662-K666 VanDerWaalsContact O-CB 3.3Å; K662-K666 WeakPolarHBondContact O-CB 3.49Å; K662-K666 PolarHBondContact O-N 2.82Å |
| 663 | E | 76.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.7 | -26.2 | 143.5 | -177.7 | 65.6 | -153.6 | 0 | 0 | 109.1 | L601 M659 L660 K666 R667 | L601-E663 HydrophobicContact CD2-CB 4.21Å; L601-E663 HydrophobicContact CD2-CG 3.81Å; M659-E663 VanDerWaalsContact O-CA 3.25Å; M659-E663 WeakPolarHBondContact O-CA 3.42Å; M659-E663 WeakPolarHBondContact O-CB 3.35Å; M659-E663 PolarHBondContact O-N 2.97Å; L660-E663 CarbonylContact O-C 2.97Å; L660-E663 PolarHBondContact O-N 3.45Å; E663-K666 CarbonylContact O-C 3.59Å; E663-K666 WeakPolarHBondContact O-CA 3.35Å; E663-K666 VanDerWaalsContact O-CB 3.29Å; E663-K666 WeakPolarHBondContact O-CB 3.45Å; E663-K666 PolarHBondContact O-N 3.4Å; E663-K666 IonicContact OE1-NZ 3.47Å; E663-K666 PolarHBondContact OE1-NZ 2.96Å; E663-K666 WeakPolarHBondContact OE2-CD 3.46Å; E663-K666 IonicContact OE2-NZ 2.75Å; E663-R667 VanDerWaalsContact O-CG 3.25Å; E663-R667 WeakPolarHBondContact O-CG 3.47Å; E663-R667 PolarHBondContact O-N 3.38Å; E663-R667 IonicContact OE1-CZ 2.74Å; E663-R667 IonicContact OE1-NE 3.81Å; E663-R667 PolarHBondContact OE1-NE 2.82Å; E663-R667 IonicContact OE1-NH2 2.65Å; E663-R667 PolarHBondContact OE1-NH2 3.38Å |
| 664 | W | 83.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -90.7 | -34.3 | -178.1 | -171.3 | -55 | 0 | 0 | 0 | 110.6 | W597 W600 L601 L634 N637 L638 V641 L660 Y661 K662 K666 R667 V668 | W597-W664 HydrophobicContact CB-CZ3 4.03Å; W597-W664 HydrophobicContact CD2-CH2 4.42Å; W597-W664 AromaticContact CE3-CH2 3.97Å; W597-W664 HydrophobicContact CE3-CH2 3.97Å; W597-W664 HydrophobicContact CE3-CZ3 4.29Å; W600-W664 AromaticContact CE3-CH2 3.58Å; W600-W664 HydrophobicContact CE3-CH2 3.58Å; W600-W664 AromaticContact CE3-CZ3 3.62Å; W600-W664 HydrophobicContact CE3-CZ3 3.62Å; W600-W664 HydrophobicContact CH2-CH2 4.3Å; W600-W664 HydrophobicContact CZ3-CE3 4.41Å; W600-W664 AromaticContact CZ3-CH2 3.23Å; W600-W664 HydrophobicContact CZ3-CH2 3.23Å; W600-W664 AromaticContact CZ3-CZ2 3.76Å; W600-W664 HydrophobicContact CZ3-CZ2 3.76Å; W600-W664 AromaticContact CZ3-CZ3 3.59Å; W600-W664 HydrophobicContact CZ3-CZ3 3.59Å; L601-W664 HydrophobicContact CB-CE3 4.25Å; L601-W664 HydrophobicContact CB-CZ3 4.49Å; L601-W664 HydrophobicContact CD1-CD2 4.19Å; L601-W664 HydrophobicContact CD1-CE3 3.91Å; L601-W664 HydrophobicContact CD1-CZ3 4.49Å; L601-W664 HydrophobicContact CD2-CB 4.04Å; L601-W664 HydrophobicContact CD2-CE3 4.1Å; L601-W664 HydrophobicContact CG-CE3 4.32Å; L634-W664 HydrophobicContact CD2-CD2 4.06Å; L634-W664 HydrophobicContact CD2-CG 4.25Å; L634-W664 HydrophobicContact CD2-CZ2 4.36Å; L634-W664 VanDerWaalsContact O-CZ2 3.26Å; L634-W664 WeakPolarHBondContact O-CZ2 3.3Å; L634-W664 PolarHBondContact O-NE1 3.37Å; N637-W664 HydrophobicContact CB-CH2 3.43Å; N637-W664 VanDerWaalsContact CB-CH2 3.43Å; N637-W664 HydrophobicContact CB-CZ2 3.46Å; N637-W664 VanDerWaalsContact CB-CZ2 3.46Å; L638-W664 HydrophobicContact CB-CZ2 4.36Å; L638-W664 HydrophobicContact CD1-CG 4.34Å; L638-W664 VanDerWaalsContact N-CZ2 3.32Å; V641-W664 HydrophobicContact CG2-CE3 4.49Å; V641-W664 HydrophobicContact CG2-CH2 4.37Å; V641-W664 HydrophobicContact CG2-CZ3 4.26Å; L660-W664 HydrophobicContact CD1-CE3 4.11Å; L660-W664 HydrophobicContact CD2-CE3 3.62Å; L660-W664 HydrophobicContact CD2-CZ3 3.73Å; L660-W664 HydrophobicContact CG-CE3 3.66Å; L660-W664 HydrophobicContact CG-CZ3 4.28Å; L660-W664 WeakPolarHBondContact O-CA 3.29Å; L660-W664 WeakPolarHBondContact O-CB 3.35Å; L660-W664 PolarHBondContact O-N 3.42Å; Y661-W664 CarbonylContact O-C 3.45Å; Y661-W664 WeakPolarHBondContact O-CB 3.49Å; K662-W664 VanDerWaalsContact C-N 3.27Å; W664-K666 VanDerWaalsContact C-N 3.26Å; W664-R667 PolarHBondContact O-N 2.95Å; W664-V668 WeakPolarHBondContact O-CB 3.42Å; W664-V668 WeakPolarHBondContact O-CG2 3.36Å; W664-V668 PolarHBondContact O-N 3.5Å |
| 665 | E | 78.1 | Confident | 77.2 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 157.3 | -72.7 | -175.9 | 154.7 | 0 | 0 | 108.9 | Y661 K662 V668 L669 | Y661-E665 HydrophobicContact CD1-CG 4.3Å; Y661-E665 HydrophobicContact CE1-CG 3.74Å; Y661-E665 WeakPolarHBondContact CE1-OE1 3.23Å; Y661-E665 WeakPolarHBondContact O-CG 3.42Å; Y661-E665 PolarHBondContact O-N 2.87Å; Y661-E665 PolarHBondContact OH-OE1 3.07Å; K662-E665 HydrophobicContact CB-CB 3.75Å; K662-E665 HydrophobicContact CB-CG 4Å; K662-E665 WeakPolarHBondContact CB-OE2 3.36Å; E665-V668 PolarHBondContact O-N 3.32Å; E665-L669 WeakPolarHBondContact O-CB 3.48Å; E665-L669 PolarHBondContact O-N 3.25Å |
| 666 | K | 77.3 | Confident | 77.9 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 173 | 156.3 | 173.8 | -177.9 | -56 | 0 | 112.7 | S586 V587 K662 E663 W664 L669 E670 | S586-K666 WeakPolarHBondContact OG-CB 3.46Å; S586-K666 WeakPolarHBondContact OG-CD 3.43Å; S586-K666 VanDerWaalsContact OG-CG 3.22Å; S586-K666 WeakPolarHBondContact OG-CG 3.48Å; V587-K666 HydrophobicContact CB-CD 4.01Å; V587-K666 HydrophobicContact CG1-CB 4.23Å; V587-K666 HydrophobicContact CG1-CD 3.35Å; V587-K666 HydrophobicContact CG1-CG 4.44Å; V587-K666 HydrophobicContact CG2-CD 3.84Å; K662-K666 VanDerWaalsContact O-CB 3.3Å; K662-K666 WeakPolarHBondContact O-CB 3.49Å; K662-K666 PolarHBondContact O-N 2.82Å; E663-K666 CarbonylContact O-C 3.59Å; E663-K666 WeakPolarHBondContact O-CA 3.35Å; E663-K666 VanDerWaalsContact O-CB 3.29Å; E663-K666 WeakPolarHBondContact O-CB 3.45Å; E663-K666 PolarHBondContact O-N 3.4Å; E663-K666 IonicContact OE1-NZ 3.47Å; E663-K666 PolarHBondContact OE1-NZ 2.96Å; E663-K666 WeakPolarHBondContact OE2-CD 3.46Å; E663-K666 IonicContact OE2-NZ 2.75Å; W664-K666 VanDerWaalsContact C-N 3.26Å; K666-L669 CarbonylContact O-C 3.59Å; K666-L669 PolarHBondContact O-N 2.63Å; K666-E670 WeakPolarHBondContact CE-OE1 3.26Å; K666-E670 HydrophobicContact CG-CG 4.39Å; K666-E670 WeakPolarHBondContact CG-OE1 3.41Å; K666-E670 IonicContact NZ-OE1 2.61Å; K666-E670 PolarHBondContact NZ-OE1 2.94Å; K666-E670 IonicContact NZ-OE2 2.65Å; K666-E670 WeakPolarHBondContact O-CB 3.28Å; K666-E670 VanDerWaalsContact O-CG 3.26Å; K666-E670 WeakPolarHBondContact O-CG 3.33Å; K666-E670 PolarHBondContact O-N 2.85Å |
| 667 | R | 80.4 | Confident | 78.6 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.2 | -37.3 | 176.1 | -63.9 | -35 | 170.6 | 142.7 | 10.4 | 112 | L601 T605 L634 E663 W664 L669 E670 V671 | L601-R667 HydrophobicContact CD1-CB 4.1Å; L601-R667 HydrophobicContact CD1-CG 3.95Å; L601-R667 HydrophobicContact CD2-CG 3.92Å; L601-R667 HydrophobicContact CG-CG 4.05Å; T605-R667 VanDerWaalsContact CG2-NH1 3.3Å; L634-R667 HydrophobicContact CD1-CB 4.34Å; E663-R667 VanDerWaalsContact O-CG 3.25Å; E663-R667 WeakPolarHBondContact O-CG 3.47Å; E663-R667 PolarHBondContact O-N 3.38Å; E663-R667 IonicContact OE1-CZ 2.74Å; E663-R667 IonicContact OE1-NE 3.81Å; E663-R667 PolarHBondContact OE1-NE 2.82Å; E663-R667 IonicContact OE1-NH2 2.65Å; E663-R667 PolarHBondContact OE1-NH2 3.38Å; W664-R667 PolarHBondContact O-N 2.95Å; R667-L669 VanDerWaalsContact C-N 3.27Å; R667-L669 PolarHBondContact O-N 2.74Å; R667-E670 WeakPolarHBondContact CD-OE2 3.15Å; R667-E670 IonicContact CZ-OE2 2.88Å; R667-E670 IonicContact NE-OE2 2.97Å; R667-E670 PolarHBondContact NE-OE2 3.08Å; R667-E670 IonicContact NH1-OE1 3.52Å; R667-E670 IonicContact NH1-OE2 2.78Å; R667-E670 PolarHBondContact NH1-OE2 3.3Å; R667-V671 WeakPolarHBondContact O-CB 3.26Å; R667-V671 WeakPolarHBondContact O-CG2 3.2Å; R667-V671 PolarHBondContact O-N 2.78Å |
| 668 | V | 79.1 | Confident | 79.7 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -40.5 | 169.7 | 165.8 | 0 | 0 | 0 | 0 | 110.4 | L634 W664 E665 E672 | L634-V668 HydrophobicContact CB-CG2 3.82Å; L634-V668 HydrophobicContact CD1-CG2 3.98Å; L634-V668 HydrophobicContact CG-CG2 4.42Å; W664-V668 WeakPolarHBondContact O-CB 3.42Å; W664-V668 WeakPolarHBondContact O-CG2 3.36Å; W664-V668 PolarHBondContact O-N 3.5Å; E665-V668 PolarHBondContact O-N 3.32Å; V668-E672 HydrophobicContact CG1-CG 4.41Å; V668-E672 WeakPolarHBondContact O-CB 3.32Å; V668-E672 WeakPolarHBondContact O-CG 3.36Å; V668-E672 PolarHBondContact O-N 2.77Å |
| 669 | L | 78.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -79.2 | -34.6 | -178.5 | -168.5 | 136.3 | 0 | 0 | 0 | 113.2 | P585 E665 K666 R667 E672 L673 | P585-L669 WeakPolarHBondContact O-CD2 3.22Å; E665-L669 WeakPolarHBondContact O-CB 3.48Å; E665-L669 PolarHBondContact O-N 3.25Å; K666-L669 CarbonylContact O-C 3.59Å; K666-L669 PolarHBondContact O-N 2.63Å; R667-L669 VanDerWaalsContact C-N 3.27Å; R667-L669 PolarHBondContact O-N 2.74Å; L669-E672 PolarHBondContact O-N 2.75Å; L669-L673 HydrophobicContact CD2-CD1 3.75Å; L669-L673 HydrophobicContact CD2-CG 4.46Å; L669-L673 VanDerWaalsContact O-CB 3.25Å; L669-L673 WeakPolarHBondContact O-CB 3.23Å; L669-L673 VanDerWaalsContact O-CG 3.26Å; L669-L673 WeakPolarHBondContact O-CG 3.33Å; L669-L673 PolarHBondContact O-N 3.36Å |
| 670 | E | 80.4 | Confident | 80.9 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 168.5 | -76.4 | 168.5 | -168.1 | 0 | 0 | 110.8 | K666 R667 L673 R674 | K666-E670 WeakPolarHBondContact CE-OE1 3.26Å; K666-E670 HydrophobicContact CG-CG 4.39Å; K666-E670 WeakPolarHBondContact CG-OE1 3.41Å; K666-E670 IonicContact NZ-OE1 2.61Å; K666-E670 PolarHBondContact NZ-OE1 2.94Å; K666-E670 IonicContact NZ-OE2 2.65Å; K666-E670 WeakPolarHBondContact O-CB 3.28Å; K666-E670 VanDerWaalsContact O-CG 3.26Å; K666-E670 WeakPolarHBondContact O-CG 3.33Å; K666-E670 PolarHBondContact O-N 2.85Å; R667-E670 WeakPolarHBondContact CD-OE2 3.15Å; R667-E670 IonicContact CZ-OE2 2.88Å; R667-E670 IonicContact NE-OE2 2.97Å; R667-E670 PolarHBondContact NE-OE2 3.08Å; R667-E670 IonicContact NH1-OE1 3.52Å; R667-E670 IonicContact NH1-OE2 2.78Å; R667-E670 PolarHBondContact NH1-OE2 3.3Å; E670-L673 PolarHBondContact O-N 3.46Å; E670-R674 WeakPolarHBondContact O-CB 3.44Å; E670-R674 PolarHBondContact O-N 3.05Å |
| 671 | V | 81.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | E627 F630 L634 R667 L675 | E627-V671 HydrophobicContact CB-CG1 4.29Å; E627-V671 VanDerWaalsContact O-CG1 3.26Å; E627-V671 WeakPolarHBondContact O-CG1 3.48Å; F630-V671 HydrophobicContact CD1-CG2 3.39Å; F630-V671 HydrophobicContact CE1-CG2 3.69Å; F630-V671 HydrophobicContact CG-CG2 4.41Å; L634-V671 HydrophobicContact CD1-CG2 4.17Å; R667-V671 WeakPolarHBondContact O-CB 3.26Å; R667-V671 WeakPolarHBondContact O-CG2 3.2Å; R667-V671 PolarHBondContact O-N 2.78Å; V671-L675 HydrophobicContact CG1-CD1 3.99Å; V671-L675 HydrophobicContact CG1-CG 4.46Å; V671-L675 VanDerWaalsContact O-CB 3.24Å; V671-L675 WeakPolarHBondContact O-CB 3.39Å; V671-L675 WeakPolarHBondContact O-CG 3.44Å; V671-L675 PolarHBondContact O-N 2.91Å |
| 672 | E | 82 | Confident | 82.1 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.4 | -35.8 | 174.8 | -77.8 | 174.7 | 176.1 | 0 | 0 | 111.9 | K635 V668 L669 L675 T676 | K635-E672 WeakPolarHBondContact CE-OE1 3.28Å; K635-E672 IonicContact NZ-OE1 3.86Å; K635-E672 PolarHBondContact NZ-OE1 3.2Å; V668-E672 HydrophobicContact CG1-CG 4.41Å; V668-E672 WeakPolarHBondContact O-CB 3.32Å; V668-E672 WeakPolarHBondContact O-CG 3.36Å; V668-E672 PolarHBondContact O-N 2.77Å; L669-E672 PolarHBondContact O-N 2.75Å; E672-L675 PolarHBondContact O-N 2.7Å; E672-T676 PolarHBondContact O-N 2.61Å; E672-T676 PolarHBondContact O-OG1 3.35Å |
| 673 | L | 82.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 44 Ų | 44 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -49.3 | 170.5 | -82.4 | 166.9 | 0 | 0 | 0 | 112 | F584 L669 E670 L675 T676 E677 | F584-L673 HydrophobicContact CB-CD2 3.88Å; F584-L673 HydrophobicContact CD2-CD2 4.21Å; F584-L673 HydrophobicContact CG-CD2 4.04Å; L669-L673 HydrophobicContact CD2-CD1 3.75Å; L669-L673 HydrophobicContact CD2-CG 4.46Å; L669-L673 VanDerWaalsContact O-CB 3.25Å; L669-L673 WeakPolarHBondContact O-CB 3.23Å; L669-L673 VanDerWaalsContact O-CG 3.26Å; L669-L673 WeakPolarHBondContact O-CG 3.33Å; L669-L673 PolarHBondContact O-N 3.36Å; E670-L673 PolarHBondContact O-N 3.46Å; L673-L675 VanDerWaalsContact C-N 3.28Å; L673-L675 PolarHBondContact O-N 3.17Å; L673-T676 WeakPolarHBondContact CA-OG1 3.48Å; L673-T676 PolarHBondContact O-N 3.49Å; L673-T676 VanDerWaalsContact O-N 3.09Å; L673-T676 PolarHBondContact O-OG1 3Å; L673-E677 PolarHBondContact O-N 3.47Å |
| 674 | R | 84.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -33 | 176.7 | -174.3 | 56.7 | 174.9 | 172.3 | 2.3 | 111.3 | A610 E627 E670 E677 L678 D757 | A610-R674 PolarHBondContact O-NE 2.96Å; A610-R674 PolarHBondContact O-NH2 3Å; E627-R674 HydrophobicContact CG-CG 4.13Å; E670-R674 WeakPolarHBondContact O-CB 3.44Å; E670-R674 PolarHBondContact O-N 3.05Å; R674-E677 WeakPolarHBondContact CD-OE2 3.43Å; R674-E677 IonicContact CZ-OE2 3.38Å; R674-E677 IonicContact NE-OE2 2.71Å; R674-E677 IonicContact NH1-OE2 2.68Å; R674-E677 PolarHBondContact NH1-OE2 3.03Å; R674-E677 PolarHBondContact O-N 3.28Å; R674-L678 HydrophobicContact CG-CD1 3.94Å; R674-L678 HydrophobicContact CG-CG 4.19Å; R674-L678 WeakPolarHBondContact O-CB 3.43Å; R674-L678 WeakPolarHBondContact O-CD1 3.31Å; R674-L678 WeakPolarHBondContact O-CG 3.46Å; R674-L678 PolarHBondContact O-N 3.17Å; R674-D757 IonicContact CZ-OD1 3.51Å; R674-D757 IonicContact CZ-OD2 2.67Å; R674-D757 IonicContact NH1-OD2 3.41Å; R674-D757 PolarHBondContact NH1-OD2 3.37Å; R674-D757 VanDerWaalsContact NH2-CG 3.34Å; R674-D757 IonicContact NH2-OD1 3.88Å; R674-D757 PolarHBondContact NH2-OD1 2.87Å; R674-D757 IonicContact NH2-OD2 3.35Å; R674-D757 PolarHBondContact NH2-OD2 3.08Å |
| 675 | L | 84.7 | Confident | 83.6 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 170.6 | -78.3 | 168.3 | 0 | 0 | 0 | 112.8 | E627 Q628 V671 E672 L673 N679 | E627-L675 HydrophobicContact CB-CD2 3.78Å; E627-L675 HydrophobicContact CB-CG 3.92Å; Q628-L675 HydrophobicContact CB-CD2 4.15Å; V671-L675 HydrophobicContact CG1-CD1 3.99Å; V671-L675 HydrophobicContact CG1-CG 4.46Å; V671-L675 VanDerWaalsContact O-CB 3.24Å; V671-L675 WeakPolarHBondContact O-CB 3.39Å; V671-L675 WeakPolarHBondContact O-CG 3.44Å; V671-L675 PolarHBondContact O-N 2.91Å; E672-L675 PolarHBondContact O-N 2.7Å; L673-L675 VanDerWaalsContact C-N 3.28Å; L673-L675 PolarHBondContact O-N 3.17Å; L675-N679 VanDerWaalsContact O-CB 3.23Å; L675-N679 WeakPolarHBondContact O-CB 3.23Å; L675-N679 PolarHBondContact O-N 3.48Å; L675-N679 VanDerWaalsContact O-N 3.12Å |
| 676 | T | 84.5 | Confident | 84.1 | Confident | 69 Ų | 69 | 45 Ų | 45 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.4 | -45.1 | 171.4 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | E672 L673 N679 E680 | E672-T676 PolarHBondContact O-N 2.61Å; E672-T676 PolarHBondContact O-OG1 3.35Å; L673-T676 WeakPolarHBondContact CA-OG1 3.48Å; L673-T676 PolarHBondContact O-N 3.49Å; L673-T676 VanDerWaalsContact O-N 3.09Å; L673-T676 PolarHBondContact O-OG1 3Å; T676-N679 WeakPolarHBondContact O-CB 3.36Å; T676-N679 PolarHBondContact O-N 3.33Å; T676-N679 VanDerWaalsContact O-N 3.08Å; T676-E680 PolarHBondContact O-N 2.8Å |
| 677 | E | 84.6 | Confident | 84.7 | Confident | 62 Ų | 62 | 49 Ų | 49 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 177.7 | -178 | -175 | -135.6 | 0 | 0 | 111.6 | L673 R674 N679 E680 M681 Y754 | L673-E677 PolarHBondContact O-N 3.47Å; R674-E677 WeakPolarHBondContact CD-OE2 3.43Å; R674-E677 IonicContact CZ-OE2 3.38Å; R674-E677 IonicContact NE-OE2 2.71Å; R674-E677 IonicContact NH1-OE2 2.68Å; R674-E677 PolarHBondContact NH1-OE2 3.03Å; R674-E677 PolarHBondContact O-N 3.28Å; E677-N679 PolarHBondContact O-N 2.92Å; E677-E680 PolarHBondContact O-N 3.19Å; E677-M681 VanDerWaalsContact O-CB 3.31Å; E677-M681 WeakPolarHBondContact O-CB 3.28Å; E677-M681 PolarHBondContact O-N 3.42Å; E677-Y754 HydrophobicContact CG-CD1 4.33Å; E677-Y754 HydrophobicContact CG-CE1 4.14Å |
| 678 | L | 85.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -33.1 | 173.6 | -72.9 | 169 | 0 | 0 | 0 | 112 | I620 A623 M624 E627 R674 M681 L682 | I620-L678 HydrophobicContact CG2-CD2 4.3Å; I620-L678 WeakPolarHBondContact CG2-O 3.41Å; A623-L678 HydrophobicContact CB-CD1 3.94Å; A623-L678 HydrophobicContact CB-CD2 3.7Å; M624-L678 HydrophobicContact CG-CB 3.54Å; M624-L678 HydrophobicContact CG-CD1 4.01Å; M624-L678 HydrophobicContact CG-CG 4.33Å; M624-L678 HydrophobicContact SD-CB 4.36Å; E627-L678 HydrophobicContact CB-CD1 4.42Å; E627-L678 HydrophobicContact CG-CD1 3.85Å; R674-L678 HydrophobicContact CG-CD1 3.94Å; R674-L678 HydrophobicContact CG-CG 4.19Å; R674-L678 WeakPolarHBondContact O-CB 3.43Å; R674-L678 WeakPolarHBondContact O-CD1 3.31Å; R674-L678 WeakPolarHBondContact O-CG 3.46Å; R674-L678 PolarHBondContact O-N 3.17Å; L678-M681 HydrophobicContact CD2-CE 3.69Å; L678-L682 WeakPolarHBondContact O-CB 3.42Å; L678-L682 PolarHBondContact O-N 2.74Å |
| 679 | N | 86.1 | Confident | 85.8 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.2 | -37 | 177.4 | -172.9 | 74 | 0 | 0 | 0 | 112.5 | M624 L675 T676 E677 L682 E683 | M624-N679 HydrophobicContact CE-CB 3.89Å; L675-N679 VanDerWaalsContact O-CB 3.23Å; L675-N679 WeakPolarHBondContact O-CB 3.23Å; L675-N679 PolarHBondContact O-N 3.48Å; L675-N679 VanDerWaalsContact O-N 3.12Å; T676-N679 WeakPolarHBondContact O-CB 3.36Å; T676-N679 PolarHBondContact O-N 3.33Å; T676-N679 VanDerWaalsContact O-N 3.08Å; E677-N679 PolarHBondContact O-N 2.92Å; N679-L682 WeakPolarHBondContact O-CB 3.39Å; N679-L682 PolarHBondContact O-N 2.97Å; N679-E683 PolarHBondContact O-N 3.41Å |
| 680 | E | 86.2 | Confident | 86.3 | Confident | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 170.1 | -69.8 | -178.4 | 179.2 | 0 | 0 | 111.2 | T676 E677 L682 E683 H684 Y754 | T676-E680 PolarHBondContact O-N 2.8Å; E677-E680 PolarHBondContact O-N 3.19Å; E680-L682 VanDerWaalsContact C-N 3.3Å; E680-L682 PolarHBondContact O-N 3.15Å; E680-E683 PolarHBondContact O-N 2.97Å; E680-E683 VanDerWaalsContact O-N 3.14Å; E680-H684 PolarHBondContact O-N 3.31Å; E680-H684 PolarHBondContact O-ND1 3.32Å; E680-Y754 WeakPolarHBondContact CB-OH 3.29Å; E680-Y754 PolarHBondContact O-OH 2.84Å |
| 681 | M | 87.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 174.9 | -178 | 165.5 | 43.6 | 0 | 0 | 111.5 | C612 L614 I620 E677 L678 S685 Y754 D757 | C612-M681 WeakPolarHBondContact SG-CE 3.23Å; L614-M681 HydrophobicContact CD2-CG 3.92Å; L614-M681 HydrophobicContact CD2-SD 3.46Å; L614-M681 WeakPolarHBondContact CD2-SD 3.35Å; L614-M681 HydrophobicContact CG-SD 4.11Å; I620-M681 HydrophobicContact CD1-CG 3.94Å; I620-M681 HydrophobicContact CG1-CE 4.48Å; I620-M681 HydrophobicContact CG1-CG 4.33Å; E677-M681 VanDerWaalsContact O-CB 3.31Å; E677-M681 WeakPolarHBondContact O-CB 3.28Å; E677-M681 PolarHBondContact O-N 3.42Å; L678-M681 HydrophobicContact CD2-CE 3.69Å; M681-S685 WeakPolarHBondContact O-CB 3.45Å; M681-S685 PolarHBondContact O-N 3.3Å; M681-S685 PolarHBondContact O-OG 3.03Å; M681-Y754 WeakPolarHBondContact CA-OH 3.49Å; M681-Y754 HydrophobicContact CB-CD1 4.24Å; M681-Y754 HydrophobicContact CB-CD2 4.39Å; M681-Y754 HydrophobicContact CB-CE1 3.83Å; M681-Y754 HydrophobicContact CB-CE2 3.96Å; M681-Y754 HydrophobicContact CG-CD2 4.13Å; M681-Y754 HydrophobicContact CG-CE2 4.08Å; M681-Y754 HydrophobicContact CG-CG 4.33Å; M681-Y754 PolarHBondContact N-OH 3Å; M681-Y754 HydrophobicContact SD-CD1 4.26Å; M681-Y754 HydrophobicContact SD-CD2 4.29Å; M681-Y754 HydrophobicContact SD-CG 4Å; M681-D757 HydrophobicContact CE-CB 4.42Å; M681-D757 HydrophobicContact SD-CB 4.13Å |
| 682 | L | 87.9 | Confident | 87.2 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 170.8 | -171.5 | 73.8 | 0 | 0 | 0 | 111.6 | I617 I620 R621 M624 L678 N679 E680 R686 | I617-L682 HydrophobicContact CG2-CD1 4.01Å; I620-L682 HydrophobicContact CB-CD1 4.23Å; I620-L682 HydrophobicContact CG2-CB 3.87Å; I620-L682 HydrophobicContact CG2-CD1 3.92Å; I620-L682 HydrophobicContact CG2-CG 4.5Å; R621-L682 HydrophobicContact CG-CD1 3.93Å; M624-L682 HydrophobicContact SD-CB 4.39Å; M624-L682 HydrophobicContact SD-CD2 3.76Å; L678-L682 WeakPolarHBondContact O-CB 3.42Å; L678-L682 PolarHBondContact O-N 2.74Å; N679-L682 WeakPolarHBondContact O-CB 3.39Å; N679-L682 PolarHBondContact O-N 2.97Å; E680-L682 VanDerWaalsContact C-N 3.3Å; E680-L682 PolarHBondContact O-N 3.15Å; L682-R686 WeakPolarHBondContact O-CB 3.49Å; L682-R686 WeakPolarHBondContact O-CG 3.37Å; L682-R686 PolarHBondContact O-N 2.95Å |
| 683 | E | 87 | Confident | 87.6 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.3 | -46 | 177 | -169.9 | 173.8 | 170.2 | 0 | 0 | 112.2 | N679 E680 R686 R687 | N679-E683 PolarHBondContact O-N 3.41Å; E680-E683 PolarHBondContact O-N 2.97Å; E680-E683 VanDerWaalsContact O-N 3.14Å; E683-R686 PolarHBondContact O-N 3Å; E683-R687 WeakPolarHBondContact O-CG 3.38Å; E683-R687 PolarHBondContact O-N 3.5Å; E683-R687 IonicContact OE1-CZ 3.57Å; E683-R687 IonicContact OE1-NE 3.34Å; E683-R687 IonicContact OE1-NH2 2.84Å; E683-R687 PolarHBondContact OE1-NH2 3.36Å |
| 684 | H | 89.9 | Confident | 88 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.5 | -64.6 | 145.8 | 0 | 0 | 0 | 111.7 | E680 R686 R687 W688 F749 M750 Y754 | E680-H684 PolarHBondContact O-N 3.31Å; E680-H684 PolarHBondContact O-ND1 3.32Å; H684-R686 PolarHBondContact O-N 3.38Å; H684-R687 PolarHBondContact O-N 2.9Å; H684-W688 WeakPolarHBondContact O-CB 3.27Å; H684-W688 PolarHBondContact O-N 2.7Å; H684-F749 AromaticContact CE1-CE1 3.69Å; H684-F749 AromaticContact ND1-CE1 3.74Å; H684-F749 AromaticContact NE2-CE1 3.94Å; H684-M750 HydrophobicContact CB-CG 3.99Å; H684-M750 HydrophobicContact CB-SD 4.1Å; H684-Y754 HydrophobicContact CB-CE2 4.31Å; H684-Y754 AromaticContact ND1-CE2 3.77Å; H684-Y754 AromaticContact ND1-CZ 3.74Å; H684-Y754 PolarHBondContact ND1-OH 2.84Å |
| 685 | S | 88.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | G615 I620 M681 W688 D689 M750 | G615-S685 PolarHBondContact N-OG 3.29Å; I620-S685 WeakPolarHBondContact CD1-OG 3.49Å; M681-S685 WeakPolarHBondContact O-CB 3.45Å; M681-S685 PolarHBondContact O-N 3.3Å; M681-S685 PolarHBondContact O-OG 3.03Å; S685-W688 PolarHBondContact O-N 2.98Å; S685-D689 VanDerWaalsContact O-CB 3.3Å; S685-D689 WeakPolarHBondContact O-CB 3.45Å; S685-D689 PolarHBondContact O-N 3.31Å; S685-M750 WeakPolarHBondContact OG-CE 3.29Å |
| 686 | R | 88.8 | Confident | 88.5 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 44% | 0.438 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -53.2 | 172.7 | -77.3 | 170.8 | -159.7 | -166.2 | 9.2 | 111.8 | I617 L682 E683 H684 W688 D689 D690 | I617-R686 HydrophobicContact CD1-CG 3.92Å; L682-R686 WeakPolarHBondContact O-CB 3.49Å; L682-R686 WeakPolarHBondContact O-CG 3.37Å; L682-R686 PolarHBondContact O-N 2.95Å; E683-R686 PolarHBondContact O-N 3Å; H684-R686 PolarHBondContact O-N 3.38Å; R686-W688 PolarHBondContact O-N 3.26Å; R686-W688 VanDerWaalsContact O-N 3.17Å; R686-D689 CarbonylContact O-C 3.48Å; R686-D689 WeakPolarHBondContact O-CA 3.45Å; R686-D689 WeakPolarHBondContact O-CB 3.38Å; R686-D689 PolarHBondContact O-N 2.89Å; R686-D690 WeakPolarHBondContact O-CB 3.43Å; R686-D690 PolarHBondContact O-N 2.99Å; R686-D690 VanDerWaalsContact O-OD2 3.1Å |
| 687 | R | 89.1 | Confident | 88.7 | Confident | 116 Ų | 116 | 54.3 Ų | 54.3 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -32.2 | -179.4 | -65.6 | -179.9 | -164.6 | 168.4 | 4.5 | 112.4 | E683 H684 L691 L746 | E683-R687 WeakPolarHBondContact O-CG 3.38Å; E683-R687 PolarHBondContact O-N 3.5Å; E683-R687 IonicContact OE1-CZ 3.57Å; E683-R687 IonicContact OE1-NE 3.34Å; E683-R687 IonicContact OE1-NH2 2.84Å; E683-R687 PolarHBondContact OE1-NH2 3.36Å; H684-R687 PolarHBondContact O-N 2.9Å; R687-L691 WeakPolarHBondContact O-CB 3.46Å; R687-L691 WeakPolarHBondContact O-CG 3.27Å; R687-L691 PolarHBondContact O-N 3.34Å; R687-L691 VanDerWaalsContact O-N 3.13Å; R687-L746 HydrophobicContact CB-CD2 3.62Å |
| 688 | W | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.3 | -38 | 175.7 | 179.2 | 86.9 | 0 | 0 | 0 | 112.5 | H684 S685 R686 R692 F743 L746 M750 L762 M765 | H684-W688 WeakPolarHBondContact O-CB 3.27Å; H684-W688 PolarHBondContact O-N 2.7Å; S685-W688 PolarHBondContact O-N 2.98Å; R686-W688 PolarHBondContact O-N 3.26Å; R686-W688 VanDerWaalsContact O-N 3.17Å; W688-R692 VanDerWaalsContact CZ3-NH1 3.34Å; W688-R692 WeakPolarHBondContact O-CB 2.89Å; W688-R692 PolarHBondContact O-N 3.45Å; W688-F743 AromaticContact CD1-CE2 3.74Å; W688-F743 HydrophobicContact CD2-CE2 4.34Å; W688-F743 AromaticContact CE2-CE2 3.63Å; W688-F743 HydrophobicContact CG-CE2 4.39Å; W688-F743 HydrophobicContact CZ2-CE2 4.09Å; W688-F743 HydrophobicContact CZ2-CZ 4.15Å; W688-F743 AromaticContact NE1-CD2 3.94Å; W688-F743 AromaticContact NE1-CE2 3.22Å; W688-F743 AromaticContact NE1-CZ 3.66Å; W688-L746 HydrophobicContact CB-CD2 3.81Å; W688-L746 HydrophobicContact CB-CG 4.15Å; W688-M750 HydrophobicContact CB-SD 3.63Å; W688-M750 HydrophobicContact CG-SD 4.02Å; W688-L762 HydrophobicContact CD2-CD1 3.95Å; W688-L762 HydrophobicContact CD2-CG 4.24Å; W688-L762 HydrophobicContact CE3-CD1 4.35Å; W688-L762 HydrophobicContact CG-CD1 4.28Å; W688-L762 HydrophobicContact CH2-CB 4.32Å; W688-L762 HydrophobicContact CH2-CG 4.15Å; W688-L762 HydrophobicContact CZ2-CB 4.25Å; W688-L762 HydrophobicContact CZ2-CD1 4.3Å; W688-L762 HydrophobicContact CZ2-CG 3.67Å; W688-M765 HydrophobicContact CH2-CB 3.72Å; W688-M765 HydrophobicContact CH2-CG 4.27Å; W688-M765 HydrophobicContact CH2-SD 3.65Å; W688-M765 HydrophobicContact CZ2-CB 3.93Å; W688-M765 HydrophobicContact CZ3-SD 4.24Å |
| 689 | D | 89.5 | Confident | 89.1 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 172 | -147.7 | 35.2 | 0 | 0 | 0 | 110.4 | I617 S685 R686 L691 R692 E693 | I617-D689 HydrophobicContact CD1-CB 3.93Å; I617-D689 VanDerWaalsContact CD1-OD2 3.25Å; I617-D689 WeakPolarHBondContact CD1-OD2 3.38Å; S685-D689 VanDerWaalsContact O-CB 3.3Å; S685-D689 WeakPolarHBondContact O-CB 3.45Å; S685-D689 PolarHBondContact O-N 3.31Å; R686-D689 CarbonylContact O-C 3.48Å; R686-D689 WeakPolarHBondContact O-CA 3.45Å; R686-D689 WeakPolarHBondContact O-CB 3.38Å; R686-D689 PolarHBondContact O-N 2.89Å; D689-L691 PolarHBondContact O-N 3Å; D689-R692 PolarHBondContact O-N 3.17Å; D689-R692 IonicContact OD1-CZ 3.76Å; D689-R692 IonicContact OD1-NH1 2.73Å; D689-R692 PolarHBondContact OD1-NH1 3.46Å; D689-R692 IonicContact OD1-NH2 3.64Å; D689-R692 PolarHBondContact OD1-NH2 3.15Å; D689-E693 WeakPolarHBondContact O-CB 3.47Å; D689-E693 WeakPolarHBondContact O-CG 3.48Å; D689-E693 PolarHBondContact O-N 3.13Å |
| 690 | D | 90 | Very high | 89.1 | Confident | 103 Ų | 103 | 53 Ų | 53 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55.9 | -49.3 | 175.4 | -64.5 | -39.5 | 0 | 0 | 0 | 111.2 | R686 E694 | R686-D690 WeakPolarHBondContact O-CB 3.43Å; R686-D690 PolarHBondContact O-N 2.99Å; R686-D690 VanDerWaalsContact O-OD2 3.1Å; D690-E694 WeakPolarHBondContact O-CB 3.24Å; D690-E694 PolarHBondContact O-N 3.38Å |
| 691 | L | 89.9 | Confident | 89 | Confident | 33 Ų | 33 | 52 Ų | 52 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -38.3 | 177.5 | -80.4 | 170.1 | 0 | 0 | 0 | 112.4 | R687 D689 I695 D742 F743 L746 | R687-L691 WeakPolarHBondContact O-CB 3.46Å; R687-L691 WeakPolarHBondContact O-CG 3.27Å; R687-L691 PolarHBondContact O-N 3.34Å; R687-L691 VanDerWaalsContact O-N 3.13Å; D689-L691 PolarHBondContact O-N 3Å; L691-I695 WeakPolarHBondContact O-CD1 3.26Å; L691-I695 VanDerWaalsContact O-CG1 3.25Å; L691-I695 WeakPolarHBondContact O-CG1 3.43Å; L691-I695 PolarHBondContact O-N 2.6Å; L691-I695 VanDerWaalsContact O-N 3.16Å; L691-D742 HydrophobicContact CD1-CB 4.32Å; L691-F743 HydrophobicContact CB-CB 4.22Å; L691-F743 HydrophobicContact CB-CD2 4.08Å; L691-L746 HydrophobicContact CD1-CD2 4.08Å |
| 692 | R | 91.2 | Very high | 89 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 11% | 0.106 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | 175.7 | -163.7 | -161.5 | 62.6 | -105.3 | -13.2 | 110.1 | W688 D689 E694 I695 E696 F743 L769 | W688-R692 VanDerWaalsContact CZ3-NH1 3.34Å; W688-R692 WeakPolarHBondContact O-CB 2.89Å; W688-R692 PolarHBondContact O-N 3.45Å; D689-R692 PolarHBondContact O-N 3.17Å; D689-R692 IonicContact OD1-CZ 3.76Å; D689-R692 IonicContact OD1-NH1 2.73Å; D689-R692 PolarHBondContact OD1-NH1 3.46Å; D689-R692 IonicContact OD1-NH2 3.64Å; D689-R692 PolarHBondContact OD1-NH2 3.15Å; R692-E694 VanDerWaalsContact C-N 3.32Å; R692-E694 PolarHBondContact O-N 3.27Å; R692-I695 PolarHBondContact O-N 3.46Å; R692-E696 WeakPolarHBondContact CD-OE2 3.46Å; R692-E696 HydrophobicContact CG-CG 4.14Å; R692-E696 IonicContact CZ-OE2 3.61Å; R692-E696 IonicContact NE-OE1 3.52Å; R692-E696 IonicContact NE-OE2 3.06Å; R692-E696 PolarHBondContact NE-OE2 3.19Å; R692-E696 WeakPolarHBondContact O-CB 3.48Å; R692-E696 VanDerWaalsContact O-CG 3.3Å; R692-E696 WeakPolarHBondContact O-CG 3.35Å; R692-E696 PolarHBondContact O-N 3.05Å; R692-F743 HydrophobicContact CB-CD2 4.36Å; R692-F743 HydrophobicContact CB-CE2 3.76Å; R692-F743 HydrophobicContact CG-CE2 4.01Å; R692-F743 HydrophobicContact CG-CZ 4.32Å; R692-L769 HydrophobicContact CG-CD2 4.23Å |
| 693 | E | 89.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 179.1 | -73.6 | -159.7 | 161.1 | 0 | 0 | 111.6 | D689 I695 E696 L697 | D689-E693 WeakPolarHBondContact O-CB 3.47Å; D689-E693 WeakPolarHBondContact O-CG 3.48Å; D689-E693 PolarHBondContact O-N 3.13Å; E693-I695 VanDerWaalsContact C-N 3.35Å; E693-I695 PolarHBondContact O-N 3.2Å; E693-E696 PolarHBondContact O-N 2.99Å; E693-L697 WeakPolarHBondContact O-CB 3.41Å; E693-L697 WeakPolarHBondContact O-CD1 3.33Å; E693-L697 WeakPolarHBondContact O-CG 3.44Å; E693-L697 PolarHBondContact O-N 3.43Å |
| 694 | E | 90.6 | Very high | 88.5 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | -179.2 | -160.5 | -178 | -157.3 | 0 | 0 | 112.8 | D690 R692 F698 Y736 K739 | D690-E694 WeakPolarHBondContact O-CB 3.24Å; D690-E694 PolarHBondContact O-N 3.38Å; R692-E694 VanDerWaalsContact C-N 3.32Å; R692-E694 PolarHBondContact O-N 3.27Å; E694-F698 WeakPolarHBondContact O-CB 3.47Å; E694-F698 PolarHBondContact O-N 2.92Å; E694-F698 VanDerWaalsContact O-N 3.14Å; E694-Y736 HydrophobicContact CG-CE1 4.16Å; E694-Y736 WeakPolarHBondContact O-CE1 3.42Å; E694-K739 IonicContact OE1-NZ 2.8Å; E694-K739 PolarHBondContact OE1-NZ 2.94Å; E694-K739 VanDerWaalsContact OE2-CD 3.25Å; E694-K739 WeakPolarHBondContact OE2-CD 3.39Å; E694-K739 WeakPolarHBondContact OE2-CE 3.32Å; E694-K739 IonicContact OE2-NZ 2.76Å; E694-K739 PolarHBondContact OE2-NZ 2.84Å |
| 695 | I | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.5 | -40.2 | 176.4 | -62.3 | 164 | 0 | 0 | 0 | 111 | L691 R692 E693 L697 F698 L699 K739 M740 F743 L769 | L691-I695 WeakPolarHBondContact O-CD1 3.26Å; L691-I695 VanDerWaalsContact O-CG1 3.25Å; L691-I695 WeakPolarHBondContact O-CG1 3.43Å; L691-I695 PolarHBondContact O-N 2.6Å; L691-I695 VanDerWaalsContact O-N 3.16Å; R692-I695 PolarHBondContact O-N 3.46Å; E693-I695 VanDerWaalsContact C-N 3.35Å; E693-I695 PolarHBondContact O-N 3.2Å; I695-L697 VanDerWaalsContact C-N 3.34Å; I695-L697 PolarHBondContact O-N 3.17Å; I695-F698 PolarHBondContact O-N 2.92Å; I695-L699 HydrophobicContact CG2-CD1 3.9Å; I695-L699 HydrophobicContact CG2-CG 4.29Å; I695-L699 WeakPolarHBondContact O-CB 3.33Å; I695-L699 WeakPolarHBondContact O-CG 3.43Å; I695-L699 PolarHBondContact O-N 2.82Å; I695-K739 HydrophobicContact CD1-CB 4.33Å; I695-K739 WeakPolarHBondContact CD1-O 3.42Å; I695-K739 HydrophobicContact CG1-CB 4.19Å; I695-M740 HydrophobicContact CD1-SD 4.12Å; I695-M740 HydrophobicContact CG2-SD 3.82Å; I695-F743 HydrophobicContact CD1-CB 3.53Å; I695-F743 HydrophobicContact CD1-CD1 4.45Å; I695-F743 HydrophobicContact CD1-CG 3.93Å; I695-L769 HydrophobicContact CB-CD2 3.97Å; I695-L769 HydrophobicContact CD1-CD2 4.16Å; I695-L769 HydrophobicContact CG2-CD1 3.94Å; I695-L769 HydrophobicContact CG2-CD2 3.74Å; I695-L769 HydrophobicContact CG2-CG 3.86Å |
| 696 | E | 89 | Confident | 87.6 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.6 | -74.8 | -179.4 | 144.2 | 0 | 0 | 110.9 | R692 E693 L699 L700 L769 | R692-E696 WeakPolarHBondContact CD-OE2 3.46Å; R692-E696 HydrophobicContact CG-CG 4.14Å; R692-E696 IonicContact CZ-OE2 3.61Å; R692-E696 IonicContact NE-OE1 3.52Å; R692-E696 IonicContact NE-OE2 3.06Å; R692-E696 PolarHBondContact NE-OE2 3.19Å; R692-E696 WeakPolarHBondContact O-CB 3.48Å; R692-E696 VanDerWaalsContact O-CG 3.3Å; R692-E696 WeakPolarHBondContact O-CG 3.35Å; R692-E696 PolarHBondContact O-N 3.05Å; E693-E696 PolarHBondContact O-N 2.99Å; E696-L699 PolarHBondContact O-N 2.94Å; E696-L700 VanDerWaalsContact O-CB 3.26Å; E696-L700 WeakPolarHBondContact O-CB 3.45Å; E696-L700 WeakPolarHBondContact O-CD1 3.49Å; E696-L700 WeakPolarHBondContact O-CG 3.33Å; E696-L700 PolarHBondContact O-N 2.89Å; E696-L769 HydrophobicContact CG-CD1 3.44Å; E696-L769 VanDerWaalsContact CG-CD1 3.44Å |
| 697 | L | 89.3 | Confident | 86.7 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 56% | 0.56 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 172.9 | -77.3 | 167.2 | 0 | 0 | 0 | 112.3 | E693 I695 T701 | E693-L697 WeakPolarHBondContact O-CB 3.41Å; E693-L697 WeakPolarHBondContact O-CD1 3.33Å; E693-L697 WeakPolarHBondContact O-CG 3.44Å; E693-L697 PolarHBondContact O-N 3.43Å; I695-L697 VanDerWaalsContact C-N 3.34Å; I695-L697 PolarHBondContact O-N 3.17Å; L697-T701 VanDerWaalsContact O-CB 3.25Å; L697-T701 WeakPolarHBondContact O-CB 3.48Å; L697-T701 PolarHBondContact O-N 3.36Å; L697-T701 PolarHBondContact O-OG1 3.06Å |
| 698 | F | 90.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.6 | 166.9 | -100.8 | 0 | 0 | 0 | 112.1 | E694 I695 T701 C702 E732 A733 Y736 W773 | E694-F698 WeakPolarHBondContact O-CB 3.47Å; E694-F698 PolarHBondContact O-N 2.92Å; E694-F698 VanDerWaalsContact O-N 3.14Å; I695-F698 PolarHBondContact O-N 2.92Å; F698-T701 WeakPolarHBondContact O-CB 3.33Å; F698-T701 PolarHBondContact O-N 3.26Å; F698-C702 WeakPolarHBondContact CE2-SG 3.47Å; F698-C702 WeakPolarHBondContact CZ-SG 3.41Å; F698-C702 WeakPolarHBondContact O-CB 3.48Å; F698-C702 PolarHBondContact O-N 3.23Å; F698-C702 PolarHBondContact O-SG 2.94Å; F698-E732 HydrophobicContact CE2-CB 3.99Å; F698-A733 HydrophobicContact CZ-CB 3.96Å; F698-Y736 HydrophobicContact CB-CD1 3.59Å; F698-Y736 HydrophobicContact CB-CD2 4.34Å; F698-Y736 HydrophobicContact CB-CE1 3.37Å; F698-Y736 HydrophobicContact CB-CE2 4.16Å; F698-Y736 HydrophobicContact CB-CG 4.08Å; F698-Y736 AromaticContact CD1-CD1 3.82Å; F698-Y736 HydrophobicContact CD1-CD1 3.82Å; F698-Y736 HydrophobicContact CD1-CD2 4.34Å; F698-Y736 HydrophobicContact CD1-CE1 4.48Å; F698-Y736 AromaticContact CD1-CG 3.74Å; F698-Y736 HydrophobicContact CD1-CG 3.74Å; F698-Y736 HydrophobicContact CD2-CD1 4.09Å; F698-Y736 AromaticContact CD2-CD2 3.38Å; F698-Y736 HydrophobicContact CD2-CD2 3.38Å; F698-Y736 HydrophobicContact CD2-CE1 4.26Å; F698-Y736 AromaticContact CD2-CE2 3.58Å; F698-Y736 HydrophobicContact CD2-CE2 3.58Å; F698-Y736 AromaticContact CD2-CG 3.65Å; F698-Y736 HydrophobicContact CD2-CG 3.65Å; F698-Y736 HydrophobicContact CE1-CG 4.12Å; F698-Y736 AromaticContact CE2-CD2 3.72Å; F698-Y736 HydrophobicContact CE2-CD2 3.72Å; F698-Y736 HydrophobicContact CE2-CE2 4.28Å; F698-Y736 HydrophobicContact CE2-CG 4.03Å; F698-Y736 AromaticContact CG-CD1 3.53Å; F698-Y736 HydrophobicContact CG-CD1 3.53Å; F698-Y736 AromaticContact CG-CD2 3.74Å; F698-Y736 HydrophobicContact CG-CD2 3.74Å; F698-Y736 AromaticContact CG-CE1 3.78Å; F698-Y736 HydrophobicContact CG-CE1 3.78Å; F698-Y736 AromaticContact CG-CE2 3.98Å; F698-Y736 HydrophobicContact CG-CE2 3.98Å; F698-Y736 AromaticContact CG-CG 3.5Å; F698-Y736 HydrophobicContact CG-CG 3.5Å; F698-Y736 AromaticContact CG-CZ 3.99Å; F698-Y736 HydrophobicContact CZ-CD2 4.35Å; F698-Y736 HydrophobicContact CZ-CG 4.26Å; F698-W773 HydrophobicContact CD1-CZ3 4.14Å; F698-W773 HydrophobicContact CE1-CE3 4.34Å; F698-W773 HydrophobicContact CE1-CH2 4.37Å; F698-W773 AromaticContact CE1-CZ3 3.65Å; F698-W773 HydrophobicContact CE1-CZ3 3.65Å |
| 699 | L | 88.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.2 | -40 | -179.5 | -67.8 | 174.1 | 0 | 0 | 0 | 111.8 | I695 E696 T701 C702 E703 L769 L772 W773 T776 | I695-L699 HydrophobicContact CG2-CD1 3.9Å; I695-L699 HydrophobicContact CG2-CG 4.29Å; I695-L699 WeakPolarHBondContact O-CB 3.33Å; I695-L699 WeakPolarHBondContact O-CG 3.43Å; I695-L699 PolarHBondContact O-N 2.82Å; E696-L699 PolarHBondContact O-N 2.94Å; L699-T701 VanDerWaalsContact C-N 3.3Å; L699-T701 PolarHBondContact O-N 3.45Å; L699-C702 PolarHBondContact O-N 3.48Å; L699-E703 WeakPolarHBondContact O-CB 3.47Å; L699-E703 PolarHBondContact O-N 2.73Å; L699-L769 HydrophobicContact CD1-CD1 3.96Å; L699-L772 HydrophobicContact CD1-CB 3.88Å; L699-W773 HydrophobicContact CD1-CB 4.33Å; L699-W773 HydrophobicContact CD2-CE3 3.97Å; L699-T776 HydrophobicContact CD2-CG2 4.1Å |
| 700 | L | 86.1 | Confident | 82.3 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -36.7 | 170.5 | -79.7 | 164.7 | 0 | 0 | 0 | 112.4 | E696 K704 | E696-L700 VanDerWaalsContact O-CB 3.26Å; E696-L700 WeakPolarHBondContact O-CB 3.45Å; E696-L700 WeakPolarHBondContact O-CD1 3.49Å; E696-L700 WeakPolarHBondContact O-CG 3.33Å; E696-L700 PolarHBondContact O-N 2.89Å; L700-K704 VanDerWaalsContact O-CB 3.28Å; L700-K704 WeakPolarHBondContact O-CB 3.43Å; L700-K704 WeakPolarHBondContact O-CD 3.47Å; L700-K704 WeakPolarHBondContact O-CG 3.33Å; L700-K704 PolarHBondContact O-N 3.5Å; L700-K704 VanDerWaalsContact O-N 3.08Å |
| 701 | T | 84.8 | Confident | 80.9 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 176.5 | -62 | 0 | 0 | 0 | 0 | 111.3 | L697 F698 L699 K705 | L697-T701 VanDerWaalsContact O-CB 3.25Å; L697-T701 WeakPolarHBondContact O-CB 3.48Å; L697-T701 PolarHBondContact O-N 3.36Å; L697-T701 PolarHBondContact O-OG1 3.06Å; F698-T701 WeakPolarHBondContact O-CB 3.33Å; F698-T701 PolarHBondContact O-N 3.26Å; L699-T701 VanDerWaalsContact C-N 3.3Å; L699-T701 PolarHBondContact O-N 3.45Å; T701-K705 HydrophobicContact CG2-CD 4.17Å; T701-K705 WeakPolarHBondContact O-CB 3.39Å; T701-K705 VanDerWaalsContact O-CG 3.31Å; T701-K705 WeakPolarHBondContact O-CG 3.28Å; T701-K705 PolarHBondContact O-N 3.46Å |
| 702 | C | 85.1 | Confident | 79.2 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.7 | -50.2 | 175.5 | -69.6 | 0 | 0 | 0 | 0 | 112 | F698 L699 K704 K705 I706 L729 T776 | F698-C702 WeakPolarHBondContact CE2-SG 3.47Å; F698-C702 WeakPolarHBondContact CZ-SG 3.41Å; F698-C702 WeakPolarHBondContact O-CB 3.48Å; F698-C702 PolarHBondContact O-N 3.23Å; F698-C702 PolarHBondContact O-SG 2.94Å; L699-C702 PolarHBondContact O-N 3.48Å; C702-K704 VanDerWaalsContact C-N 3.28Å; C702-K704 PolarHBondContact O-N 3.11Å; C702-K705 PolarHBondContact O-N 3.24Å; C702-K705 VanDerWaalsContact O-N 3.1Å; C702-I706 HydrophobicContact CB-CD1 4.23Å; C702-I706 WeakPolarHBondContact O-CB 3.46Å; C702-I706 WeakPolarHBondContact O-CD1 3.37Å; C702-I706 WeakPolarHBondContact O-CG1 3.25Å; C702-I706 PolarHBondContact O-N 3.43Å; C702-L729 HydrophobicContact CB-CD2 4.07Å; C702-L729 WeakPolarHBondContact SG-CD2 3.5Å; C702-T776 HydrophobicContact CB-CG2 3.44Å; C702-T776 VanDerWaalsContact CB-CG2 3.44Å |
| 703 | E | 83.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 179 | -168.8 | 163.2 | -129.1 | 0 | 0 | 111.1 | L699 I706 S707 K775 | L699-E703 WeakPolarHBondContact O-CB 3.47Å; L699-E703 PolarHBondContact O-N 2.73Å; E703-I706 PolarHBondContact O-N 3.16Å; E703-S707 WeakPolarHBondContact O-CB 3.42Å; E703-S707 PolarHBondContact O-N 2.81Å; E703-S707 PolarHBondContact O-OG 3.29Å; E703-K775 WeakPolarHBondContact OE1-CE 3.46Å; E703-K775 IonicContact OE1-NZ 2.74Å; E703-K775 PolarHBondContact OE1-NZ 2.98Å |
| 704 | K | 82.4 | Confident | 76.2 | Confident | 154 Ų | 154 | 61.1 Ų | 61.1 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 170.9 | -79.5 | 173.5 | -178.9 | 173.9 | 0 | 114 | L700 C702 S707 | L700-K704 VanDerWaalsContact O-CB 3.28Å; L700-K704 WeakPolarHBondContact O-CB 3.43Å; L700-K704 WeakPolarHBondContact O-CD 3.47Å; L700-K704 WeakPolarHBondContact O-CG 3.33Å; L700-K704 PolarHBondContact O-N 3.5Å; L700-K704 VanDerWaalsContact O-N 3.08Å; C702-K704 VanDerWaalsContact C-N 3.28Å; C702-K704 PolarHBondContact O-N 3.11Å; K704-S707 PolarHBondContact O-OG 3.17Å |
| 705 | K | 78.7 | Confident | 75 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 178 | -73.9 | 170.3 | 169.9 | -171.1 | 0 | 111.9 | T701 C702 S708 L729 E732 | T701-K705 HydrophobicContact CG2-CD 4.17Å; T701-K705 WeakPolarHBondContact O-CB 3.39Å; T701-K705 VanDerWaalsContact O-CG 3.31Å; T701-K705 WeakPolarHBondContact O-CG 3.28Å; T701-K705 PolarHBondContact O-N 3.46Å; C702-K705 PolarHBondContact O-N 3.24Å; C702-K705 VanDerWaalsContact O-N 3.1Å; K705-S708 PolarHBondContact O-OG 2.89Å; K705-S708 VanDerWaalsContact O-OG 3.07Å; K705-L729 HydrophobicContact CB-CD1 3.66Å; K705-L729 HydrophobicContact CB-CD2 4.33Å; K705-L729 HydrophobicContact CB-CG 4.33Å; K705-L729 HydrophobicContact CD-CD1 4.06Å; K705-L729 HydrophobicContact CD-CD2 3.55Å; K705-L729 HydrophobicContact CD-CG 3.79Å; K705-E732 IonicContact NZ-OE1 3.52Å; K705-E732 PolarHBondContact NZ-OE1 3.49Å; K705-E732 IonicContact NZ-OE2 2.63Å; K705-E732 PolarHBondContact NZ-OE2 2.85Å |
| 706 | I | 80.2 | Confident | 73.9 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -80.3 | -34.1 | -179.1 | -62.8 | 159 | 0 | 0 | 0 | 112 | C702 E703 S708 L726 L729 T776 N779 L780 R783 | C702-I706 HydrophobicContact CB-CD1 4.23Å; C702-I706 WeakPolarHBondContact O-CB 3.46Å; C702-I706 WeakPolarHBondContact O-CD1 3.37Å; C702-I706 WeakPolarHBondContact O-CG1 3.25Å; C702-I706 PolarHBondContact O-N 3.43Å; E703-I706 PolarHBondContact O-N 3.16Å; I706-S708 PolarHBondContact O-N 3.41Å; I706-S708 VanDerWaalsContact O-N 3.12Å; I706-L726 HydrophobicContact CG1-CD2 4.43Å; I706-L729 HydrophobicContact CG1-CD1 3.91Å; I706-T776 HydrophobicContact CD1-CG2 3.96Å; I706-N779 HydrophobicContact CG2-CB 3.9Å; I706-L780 HydrophobicContact CD1-CB 3.78Å; I706-L780 HydrophobicContact CD1-CD1 4.34Å; I706-L780 HydrophobicContact CG1-CB 4.37Å; I706-L780 HydrophobicContact CG1-CD1 4.18Å; I706-R783 HydrophobicContact CG2-CB 4.37Å |
| 707 | S | 68.9 | Low | 73 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 16.8 | 178.2 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | E703 K704 | E703-S707 WeakPolarHBondContact O-CB 3.42Å; E703-S707 PolarHBondContact O-N 2.81Å; E703-S707 PolarHBondContact O-OG 3.29Å; K704-S707 PolarHBondContact O-OG 3.17Å |
| 708 | S | 62.2 | Low | 72 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | trans | -73 | 125.3 | 173.5 | 57.5 | 0 | 0 | 0 | 0 | 112 | K705 I706 R783 | K705-S708 PolarHBondContact O-OG 2.89Å; K705-S708 VanDerWaalsContact O-OG 3.07Å; I706-S708 PolarHBondContact O-N 3.41Å; I706-S708 VanDerWaalsContact O-N 3.12Å; S708-R783 PolarHBondContact O-NE 3.03Å; S708-R783 PolarHBondContact O-NH2 3.24Å | ||
| 709 | A | 58.2 | Low | 71.2 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | trans | 53.7 | 150.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | R783 | A709-R783 PolarHBondContact O-NH2 3.23Š| ||
| 710 | K | 59.6 | Low | 70.6 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 59% | 0.591 | 36% | 0.364 | S | S | * | . | trans | -68.8 | 134.8 | 164.5 | -71.1 | 166.4 | 177.5 | 175.8 | 0 | 109.5 | S712 E713 | K710-S712 PolarHBondContact O-N 3.25Å; K710-S712 VanDerWaalsContact O-N 3.1Å; K710-E713 WeakPolarHBondContact CD-OE1 3.26Å; K710-E713 IonicContact NZ-OE1 3.17Å; K710-E713 PolarHBondContact NZ-OE1 3.42Å; K710-E713 PolarHBondContact O-N 2.91Å | ||
| 711 | V | 59.6 | Low | 70.3 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -63 | -21.2 | -178.1 | -147.4 | 0 | 0 | 0 | 0 | 113.4 | E713 V786 L787 L790 | V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 3.18Å; V711-V786 HydrophobicContact CG1-CG1 4Å; V711-V786 HydrophobicContact CG2-CG1 4.42Å; V711-L787 HydrophobicContact CG1-CD2 3.69Å; V711-L787 HydrophobicContact CG1-CG 4.33Å; V711-L790 HydrophobicContact CB-CD1 4.33Å; V711-L790 HydrophobicContact CG1-CD1 3.47Å; V711-L790 VanDerWaalsContact CG1-CD1 3.47Å |
| 712 | S | 55.3 | Low | 69.9 | Low | 62 Ų | 62 | 69.2 Ų | 69.2 | 43% | 0.434 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -73.6 | -12.5 | 178.9 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | K710 | K710-S712 PolarHBondContact O-N 3.25Å; K710-S712 VanDerWaalsContact O-N 3.1Å |
| 713 | E | 57.3 | Low | 69.8 | Low | 110 Ų | 110 | 70.1 Ų | 70.1 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -114.6 | 19.5 | -166.5 | -68.7 | 166.9 | -163.6 | 0 | 0 | 112.9 | K710 V711 P715 | K710-E713 WeakPolarHBondContact CD-OE1 3.26Å; K710-E713 IonicContact NZ-OE1 3.17Å; K710-E713 PolarHBondContact NZ-OE1 3.42Å; K710-E713 PolarHBondContact O-N 2.91Å; V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 3.18Å; E713-P715 WeakPolarHBondContact O-CD 3.43Å |
| 714 | V | 59.7 | Low | 69.8 | Low | 5 Ų | 5 | 69.6 Ų | 69.6 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | trans | -108.4 | 111.3 | -168.7 | -165.5 | 0 | 0 | 0 | 0 | 112.6 | K718 L719 R794 | V714-K718 HydrophobicContact CG1-CB 3.61Å; V714-L719 HydrophobicContact CG1-CB 3.86Å; V714-L719 VanDerWaalsContact CG1-N 3.33Å; V714-R794 PolarHBondContact O-NH1 2.89Å; V714-R794 PolarHBondContact O-NH2 3.23Å | ||
| 715 | P | 65.5 | Low | 69.9 | Low | 23 Ų | 23 | 65.4 Ų | 65.4 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | trans | -57.2 | 152.6 | 169.3 | -26.6 | 34.9 | 0 | 0 | 0 | 112.5 | E713 E717 K718 L719 | E713-P715 WeakPolarHBondContact O-CD 3.43Å; P715-E717 VanDerWaalsContact C-N 3.26Å; P715-E717 PolarHBondContact O-N 2.83Å; P715-E717 VanDerWaalsContact O-N 3.14Å; P715-K718 HydrophobicContact CB-CG 4.49Å; P715-K718 HydrophobicContact CG-CD 4.3Å; P715-K718 HydrophobicContact CG-CG 4.5Å; P715-K718 PolarHBondContact O-N 3.39Å; P715-L719 PolarHBondContact O-N 3.11Å | ||
| 716 | I | 67.9 | Low | 70.2 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -33.7 | -170.4 | -164.2 | 165.3 | 0 | 0 | 0 | 113.5 | L719 H720 | I716-L719 PolarHBondContact O-N 2.77Å; I716-H720 PolarHBondContact O-N 3.38Å; I716-H720 PolarHBondContact O-ND1 3.37Å |
| 717 | E | 69.3 | Low | 70.4 | Confident | 131 Ų | 131 | 66.2 Ų | 66.2 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 172.8 | -61.7 | -167.7 | 177.7 | 0 | 0 | 113.6 | P715 L719 K721 | P715-E717 VanDerWaalsContact C-N 3.26Å; P715-E717 PolarHBondContact O-N 2.83Å; P715-E717 VanDerWaalsContact O-N 3.14Å; E717-L719 VanDerWaalsContact C-N 3.27Å; E717-K721 WeakPolarHBondContact O-CD 3.24Å; E717-K721 VanDerWaalsContact O-CG 3.27Å; E717-K721 WeakPolarHBondContact O-CG 3.45Å; E717-K721 PolarHBondContact O-N 2.82Å; E717-K721 VanDerWaalsContact O-N 3.14Å; E717-K721 IonicContact OE2-NZ 2.64Å; E717-K721 PolarHBondContact OE2-NZ 2.82Å |
| 718 | K | 69.6 | Low | 71.2 | Confident | 126 Ų | 126 | 67 Ų | 67 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.6 | -32.5 | 178.8 | -62.7 | -168.8 | -158.7 | 161.5 | 0 | 109.9 | V714 P715 K721 E722 | V714-K718 HydrophobicContact CG1-CB 3.61Å; P715-K718 HydrophobicContact CB-CG 4.49Å; P715-K718 HydrophobicContact CG-CD 4.3Å; P715-K718 HydrophobicContact CG-CG 4.5Å; P715-K718 PolarHBondContact O-N 3.39Å; K718-K721 CarbonylContact O-C 3.57Å; K718-K721 WeakPolarHBondContact O-CB 3.21Å; K718-K721 PolarHBondContact O-N 2.93Å; K718-E722 WeakPolarHBondContact O-CG 3.42Å; K718-E722 PolarHBondContact O-N 3.32Å |
| 719 | L | 72 | Confident | 72.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.6 | -173.4 | 129.7 | 0 | 0 | 0 | 112.1 | V714 P715 I716 E717 E722 L723 L787 L790 S791 | V714-L719 HydrophobicContact CG1-CB 3.86Å; V714-L719 VanDerWaalsContact CG1-N 3.33Å; P715-L719 PolarHBondContact O-N 3.11Å; I716-L719 PolarHBondContact O-N 2.77Å; E717-L719 VanDerWaalsContact C-N 3.27Å; L719-E722 PolarHBondContact O-N 3.23Å; L719-L723 HydrophobicContact CD2-CD1 4.23Å; L719-L723 WeakPolarHBondContact O-CG 3.16Å; L719-L723 PolarHBondContact O-N 3.15Å; L719-L787 HydrophobicContact CD1-CD2 3.58Å; L719-L787 HydrophobicContact CG-CD2 3.8Å; L719-L790 HydrophobicContact CD1-CB 3.98Å; L719-S791 VanDerWaalsContact CD2-CB 3.47Å |
| 720 | H | 76.2 | Confident | 73.6 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 170.8 | -74.2 | 84.8 | 0 | 0 | 0 | 112.4 | I716 A724 S791 | I716-H720 PolarHBondContact O-N 3.38Å; I716-H720 PolarHBondContact O-ND1 3.37Å; H720-A724 PolarHBondContact O-N 2.97Å; H720-S791 PolarHBondContact CE1-OG 3.12Å; H720-S791 PolarHBondContact NE2-OG 2.97Å |
| 721 | K | 79.5 | Confident | 74.9 | Confident | 121 Ų | 121 | 64 Ų | 64 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 175.3 | -68.9 | 159.2 | -172.7 | 159.8 | 0 | 111.6 | E717 K718 A724 T725 | E717-K721 WeakPolarHBondContact O-CD 3.24Å; E717-K721 VanDerWaalsContact O-CG 3.27Å; E717-K721 WeakPolarHBondContact O-CG 3.45Å; E717-K721 PolarHBondContact O-N 2.82Å; E717-K721 VanDerWaalsContact O-N 3.14Å; E717-K721 IonicContact OE2-NZ 2.64Å; E717-K721 PolarHBondContact OE2-NZ 2.82Å; K718-K721 CarbonylContact O-C 3.57Å; K718-K721 WeakPolarHBondContact O-CB 3.21Å; K718-K721 PolarHBondContact O-N 2.93Å; K721-A724 PolarHBondContact O-N 2.93Å; K721-T725 PolarHBondContact O-N 2.9Å; K721-T725 PolarHBondContact O-OG1 3.24Å |
| 722 | E | 78 | Confident | 76.1 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 174.5 | -76.4 | -170.8 | -177.9 | 0 | 0 | 111.3 | K718 L719 A724 T725 L726 R783 L787 | K718-E722 WeakPolarHBondContact O-CG 3.42Å; K718-E722 PolarHBondContact O-N 3.32Å; L719-E722 PolarHBondContact O-N 3.23Å; E722-A724 PolarHBondContact O-N 3.37Å; E722-T725 WeakPolarHBondContact CA-OG1 3.46Å; E722-T725 PolarHBondContact O-N 3.42Å; E722-T725 VanDerWaalsContact O-N 3.15Å; E722-T725 PolarHBondContact O-OG1 2.81Å; E722-L726 WeakPolarHBondContact O-CG 3.31Å; E722-L726 PolarHBondContact O-N 3.38Å; E722-R783 IonicContact OE1-NH2 3.05Å; E722-R783 PolarHBondContact OE1-NH2 2.86Å; E722-R783 IonicContact OE2-CZ 4Å; E722-R783 VanDerWaalsContact OE2-CZ 3.23Å; E722-R783 IonicContact OE2-NH1 2.76Å; E722-R783 PolarHBondContact OE2-NH1 3.45Å; E722-R783 IonicContact OE2-NH2 3.2Å; E722-R783 PolarHBondContact OE2-NH2 3.46Å; E722-L787 HydrophobicContact CB-CD1 3.65Å |
| 723 | L | 82.3 | Confident | 77.5 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.6 | -51.3 | 175.1 | -81.2 | 168.4 | 0 | 0 | 0 | 111.7 | L719 T725 L726 E727 K784 L787 E788 | L719-L723 HydrophobicContact CD2-CD1 4.23Å; L719-L723 WeakPolarHBondContact O-CG 3.16Å; L719-L723 PolarHBondContact O-N 3.15Å; L723-T725 VanDerWaalsContact C-N 3.29Å; L723-T725 PolarHBondContact O-N 3.12Å; L723-L726 PolarHBondContact O-N 2.93Å; L723-E727 WeakPolarHBondContact O-CG 3.48Å; L723-E727 PolarHBondContact O-N 3.38Å; L723-K784 HydrophobicContact CD2-CG 4.22Å; L723-L787 HydrophobicContact CD1-CB 4.24Å; L723-L787 HydrophobicContact CD2-CB 3.59Å; L723-L787 HydrophobicContact CD2-CD1 4.29Å; L723-L787 HydrophobicContact CG-CB 3.74Å; L723-L787 HydrophobicContact CG-CD1 4.18Å; L723-E788 HydrophobicContact CD2-CG 3.83Å |
| 724 | A | 84.3 | Confident | 78.9 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H720 K721 E722 E727 Q728 | H720-A724 PolarHBondContact O-N 2.97Å; K721-A724 PolarHBondContact O-N 2.93Å; E722-A724 PolarHBondContact O-N 3.37Å; A724-E727 PolarHBondContact O-N 2.86Å; A724-Q728 PolarHBondContact O-N 2.78Å |
| 725 | T | 83.7 | Confident | 80.1 | Confident | 66 Ų | 66 | 63 Ų | 63 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.8 | -30.6 | 175.6 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | K721 E722 L723 L729 | K721-T725 PolarHBondContact O-N 2.9Å; K721-T725 PolarHBondContact O-OG1 3.24Å; E722-T725 WeakPolarHBondContact CA-OG1 3.46Å; E722-T725 PolarHBondContact O-N 3.42Å; E722-T725 VanDerWaalsContact O-N 3.15Å; E722-T725 PolarHBondContact O-OG1 2.81Å; L723-T725 VanDerWaalsContact C-N 3.29Å; L723-T725 PolarHBondContact O-N 3.12Å; T725-L729 WeakPolarHBondContact O-CB 3.48Å; T725-L729 WeakPolarHBondContact O-CG 3.16Å; T725-L729 PolarHBondContact O-N 3.13Å |
| 726 | L | 84.4 | Confident | 81.2 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.6 | -31 | 175 | -66.5 | 161.6 | 0 | 0 | 0 | 111.8 | I706 E722 L723 L729 S730 L780 R783 K784 L787 | I706-L726 HydrophobicContact CG1-CD2 4.43Å; E722-L726 WeakPolarHBondContact O-CG 3.31Å; E722-L726 PolarHBondContact O-N 3.38Å; L723-L726 PolarHBondContact O-N 2.93Å; L726-L729 HydrophobicContact CD2-CD1 4.02Å; L726-L729 WeakPolarHBondContact O-CB 3.46Å; L726-S730 PolarHBondContact O-N 3.04Å; L726-S730 VanDerWaalsContact O-N 3.07Å; L726-L780 HydrophobicContact CB-CD1 4.24Å; L726-L780 HydrophobicContact CD2-CD1 3.65Å; L726-R783 HydrophobicContact CD1-CB 4.27Å; L726-R783 HydrophobicContact CD1-CG 3.87Å; L726-R783 HydrophobicContact CD2-CB 4.22Å; L726-R783 HydrophobicContact CD2-CG 4.15Å; L726-K784 HydrophobicContact CB-CB 4.39Å; L726-K784 HydrophobicContact CD1-CB 4.49Å; L726-L787 HydrophobicContact CD1-CD1 3.51Å |
| 727 | E | 84.9 | Confident | 82.2 | Confident | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 170.7 | -65.2 | -163.7 | 130.8 | 0 | 0 | 111.9 | L723 A724 L729 S730 L731 K784 | L723-E727 WeakPolarHBondContact O-CG 3.48Å; L723-E727 PolarHBondContact O-N 3.38Å; A724-E727 PolarHBondContact O-N 2.86Å; E727-L729 VanDerWaalsContact C-N 3.29Å; E727-L729 PolarHBondContact O-N 3.46Å; E727-S730 WeakPolarHBondContact O-CB 3.48Å; E727-S730 PolarHBondContact O-N 2.97Å; E727-S730 VanDerWaalsContact O-N 3.15Å; E727-L731 PolarHBondContact O-N 3.26Å; E727-K784 HydrophobicContact CG-CD 4.24Å; E727-K784 IonicContact OE1-NZ 3.76Å; E727-K784 PolarHBondContact OE1-NZ 3.1Å |
| 728 | Q | 85.5 | Confident | 83.1 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 171.9 | -173.4 | -175.5 | -37.6 | 0 | 0 | 111.4 | A724 S730 L731 E732 | A724-Q728 PolarHBondContact O-N 2.78Å; Q728-S730 VanDerWaalsContact C-N 3.34Å; Q728-S730 PolarHBondContact O-N 3.36Å; Q728-L731 PolarHBondContact O-N 2.97Å; Q728-E732 PolarHBondContact NE2-OE1 3.12Å; Q728-E732 WeakPolarHBondContact O-CG 3.48Å; Q728-E732 PolarHBondContact O-N 3.21Å |
| 729 | L | 85 | Confident | 84 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 174.4 | -91.8 | 170.7 | 0 | 0 | 0 | 113.8 | C702 K705 I706 T725 L726 E727 L731 E732 A733 L780 | C702-L729 HydrophobicContact CB-CD2 4.07Å; C702-L729 WeakPolarHBondContact SG-CD2 3.5Å; K705-L729 HydrophobicContact CB-CD1 3.66Å; K705-L729 HydrophobicContact CB-CD2 4.33Å; K705-L729 HydrophobicContact CB-CG 4.33Å; K705-L729 HydrophobicContact CD-CD1 4.06Å; K705-L729 HydrophobicContact CD-CD2 3.55Å; K705-L729 HydrophobicContact CD-CG 3.79Å; I706-L729 HydrophobicContact CG1-CD1 3.91Å; T725-L729 WeakPolarHBondContact O-CB 3.48Å; T725-L729 WeakPolarHBondContact O-CG 3.16Å; T725-L729 PolarHBondContact O-N 3.13Å; L726-L729 HydrophobicContact CD2-CD1 4.02Å; L726-L729 WeakPolarHBondContact O-CB 3.46Å; E727-L729 VanDerWaalsContact C-N 3.29Å; E727-L729 PolarHBondContact O-N 3.46Å; L729-L731 VanDerWaalsContact C-N 3.29Å; L729-L731 PolarHBondContact O-N 3.05Å; L729-E732 PolarHBondContact O-N 2.89Å; L729-A733 WeakPolarHBondContact O-CB 3.47Å; L729-A733 PolarHBondContact O-N 2.67Å; L729-L780 HydrophobicContact CB-CD1 3.75Å; L729-L780 HydrophobicContact CB-CD2 4.13Å; L729-L780 HydrophobicContact CD1-CD1 3.95Å |
| 730 | S | 85.6 | Confident | 84.8 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177 | -164.7 | 0 | 0 | 0 | 0 | 111 | L726 E727 Q728 A733 D734 | L726-S730 PolarHBondContact O-N 3.04Å; L726-S730 VanDerWaalsContact O-N 3.07Å; E727-S730 WeakPolarHBondContact O-CB 3.48Å; E727-S730 PolarHBondContact O-N 2.97Å; E727-S730 VanDerWaalsContact O-N 3.15Å; Q728-S730 VanDerWaalsContact C-N 3.34Å; Q728-S730 PolarHBondContact O-N 3.36Å; S730-A733 PolarHBondContact O-N 3.05Å; S730-D734 PolarHBondContact O-N 3.34Å |
| 731 | L | 86.8 | Confident | 85.4 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.3 | -38.7 | 176.4 | -62.4 | 170.3 | 0 | 0 | 0 | 112.2 | E727 Q728 L729 A733 A735 | E727-L731 PolarHBondContact O-N 3.26Å; Q728-L731 PolarHBondContact O-N 2.97Å; L729-L731 VanDerWaalsContact C-N 3.29Å; L729-L731 PolarHBondContact O-N 3.05Å; L731-A733 VanDerWaalsContact C-N 3.34Å; L731-A735 PolarHBondContact O-N 3.49Å |
| 732 | E | 85.4 | Confident | 85.8 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 172.5 | -69.2 | 171.4 | -168.5 | 0 | 0 | 111 | F698 K705 Q728 L729 A735 Y736 | F698-E732 HydrophobicContact CE2-CB 3.99Å; K705-E732 IonicContact NZ-OE1 3.52Å; K705-E732 PolarHBondContact NZ-OE1 3.49Å; K705-E732 IonicContact NZ-OE2 2.63Å; K705-E732 PolarHBondContact NZ-OE2 2.85Å; Q728-E732 PolarHBondContact NE2-OE1 3.12Å; Q728-E732 WeakPolarHBondContact O-CG 3.48Å; Q728-E732 PolarHBondContact O-N 3.21Å; L729-E732 PolarHBondContact O-N 2.89Å; E732-A735 PolarHBondContact O-N 3.27Å; E732-Y736 WeakPolarHBondContact O-CD2 3.39Å; E732-Y736 PolarHBondContact O-N 2.91Å; E732-Y736 VanDerWaalsContact O-N 3.09Å |
| 733 | A | 85.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F698 L729 S730 L731 A735 Y736 R737 W773 | F698-A733 HydrophobicContact CZ-CB 3.96Å; L729-A733 WeakPolarHBondContact O-CB 3.47Å; L729-A733 PolarHBondContact O-N 2.67Å; S730-A733 PolarHBondContact O-N 3.05Å; L731-A733 VanDerWaalsContact C-N 3.34Å; A733-A735 PolarHBondContact O-N 3.37Å; A733-Y736 PolarHBondContact O-N 2.93Å; A733-R737 PolarHBondContact O-N 2.69Å; A733-W773 WeakPolarHBondContact O-CH2 3.24Å |
| 734 | D | 85 | Confident | 86.7 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -33.9 | 173 | -81.8 | -46.9 | 0 | 0 | 0 | 112.1 | S730 R737 | S730-D734 PolarHBondContact O-N 3.34Å; D734-R737 IonicContact OD1-CZ 2.64Å; D734-R737 IonicContact OD1-NH1 2.76Å; D734-R737 PolarHBondContact OD1-NH1 2.83Å; D734-R737 IonicContact OD1-NH2 2.7Å; D734-R737 PolarHBondContact OD1-NH2 3.23Å |
| 735 | A | 84.6 | Confident | 87 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 50% | 0.496 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.9 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L731 E732 A733 R737 | L731-A735 PolarHBondContact O-N 3.49Å; E732-A735 PolarHBondContact O-N 3.27Å; A733-A735 PolarHBondContact O-N 3.37Å; A735-R737 PolarHBondContact O-N 3.49Å |
| 736 | Y | 89.5 | Confident | 87.2 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.8 | -15.8 | -179.5 | -93 | -97.3 | 0 | 0 | 0 | 114.3 | E694 F698 E732 A733 R738 K739 M740 | E694-Y736 HydrophobicContact CG-CE1 4.16Å; E694-Y736 WeakPolarHBondContact O-CE1 3.42Å; F698-Y736 HydrophobicContact CB-CD1 3.59Å; F698-Y736 HydrophobicContact CB-CD2 4.34Å; F698-Y736 HydrophobicContact CB-CE1 3.37Å; F698-Y736 HydrophobicContact CB-CE2 4.16Å; F698-Y736 HydrophobicContact CB-CG 4.08Å; F698-Y736 AromaticContact CD1-CD1 3.82Å; F698-Y736 HydrophobicContact CD1-CD1 3.82Å; F698-Y736 HydrophobicContact CD1-CD2 4.34Å; F698-Y736 HydrophobicContact CD1-CE1 4.48Å; F698-Y736 AromaticContact CD1-CG 3.74Å; F698-Y736 HydrophobicContact CD1-CG 3.74Å; F698-Y736 HydrophobicContact CD2-CD1 4.09Å; F698-Y736 AromaticContact CD2-CD2 3.38Å; F698-Y736 HydrophobicContact CD2-CD2 3.38Å; F698-Y736 HydrophobicContact CD2-CE1 4.26Å; F698-Y736 AromaticContact CD2-CE2 3.58Å; F698-Y736 HydrophobicContact CD2-CE2 3.58Å; F698-Y736 AromaticContact CD2-CG 3.65Å; F698-Y736 HydrophobicContact CD2-CG 3.65Å; F698-Y736 HydrophobicContact CE1-CG 4.12Å; F698-Y736 AromaticContact CE2-CD2 3.72Å; F698-Y736 HydrophobicContact CE2-CD2 3.72Å; F698-Y736 HydrophobicContact CE2-CE2 4.28Å; F698-Y736 HydrophobicContact CE2-CG 4.03Å; F698-Y736 AromaticContact CG-CD1 3.53Å; F698-Y736 HydrophobicContact CG-CD1 3.53Å; F698-Y736 AromaticContact CG-CD2 3.74Å; F698-Y736 HydrophobicContact CG-CD2 3.74Å; F698-Y736 AromaticContact CG-CE1 3.78Å; F698-Y736 HydrophobicContact CG-CE1 3.78Å; F698-Y736 AromaticContact CG-CE2 3.98Å; F698-Y736 HydrophobicContact CG-CE2 3.98Å; F698-Y736 AromaticContact CG-CG 3.5Å; F698-Y736 HydrophobicContact CG-CG 3.5Å; F698-Y736 AromaticContact CG-CZ 3.99Å; F698-Y736 HydrophobicContact CZ-CD2 4.35Å; F698-Y736 HydrophobicContact CZ-CG 4.26Å; E732-Y736 WeakPolarHBondContact O-CD2 3.39Å; E732-Y736 PolarHBondContact O-N 2.91Å; E732-Y736 VanDerWaalsContact O-N 3.09Å; A733-Y736 PolarHBondContact O-N 2.93Å; Y736-R738 PolarHBondContact O-N 2.89Å; Y736-R738 VanDerWaalsContact O-N 3.13Å; Y736-K739 HydrophobicContact CD1-CB 4.37Å; Y736-K739 HydrophobicContact CD1-CD 3.74Å; Y736-K739 HydrophobicContact CE1-CD 3.65Å; Y736-K739 HydrophobicContact CG-CD 4.37Å; Y736-K739 PolarHBondContact O-N 3.39Å; Y736-M740 PolarHBondContact O-N 2.9Å; Y736-M740 VanDerWaalsContact O-N 3.12Å |
| 737 | R | 89.2 | Confident | 87.4 | Confident | 123 Ų | 123 | 62.5 Ų | 62.5 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -53.7 | -33.5 | 176.7 | -171.7 | 177.7 | -63.8 | 123.8 | 11.2 | 113.1 | A733 D734 A735 T741 W773 | A733-R737 PolarHBondContact O-N 2.69Å; D734-R737 IonicContact OD1-CZ 2.64Å; D734-R737 IonicContact OD1-NH1 2.76Å; D734-R737 PolarHBondContact OD1-NH1 2.83Å; D734-R737 IonicContact OD1-NH2 2.7Å; D734-R737 PolarHBondContact OD1-NH2 3.23Å; A735-R737 PolarHBondContact O-N 3.49Å; R737-T741 PolarHBondContact O-N 3.03Å; R737-W773 HydrophobicContact CB-CH2 4.29Å; R737-W773 HydrophobicContact CB-CZ2 4.17Å; R737-W773 HydrophobicContact CG-CZ2 4.47Å |
| 738 | R | 87.8 | Confident | 87.5 | Confident | 176 Ų | 176 | 62.3 Ų | 62.3 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.2 | -40.6 | 176.5 | -172.7 | 175.1 | -68.5 | 105.6 | -0.1 | 112.6 | Y736 M740 T741 D742 | Y736-R738 PolarHBondContact O-N 2.89Å; Y736-R738 VanDerWaalsContact O-N 3.13Å; R738-M740 PolarHBondContact O-N 3.5Å; R738-T741 PolarHBondContact O-N 2.83Å; R738-T741 PolarHBondContact O-OG1 3.46Å; R738-D742 PolarHBondContact O-N 3.33Å |
| 739 | K | 87.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 175.5 | -63.9 | 178 | 173.8 | -169.7 | 0 | 111.4 | E694 I695 Y736 T741 D742 F743 | E694-K739 IonicContact OE1-NZ 2.8Å; E694-K739 PolarHBondContact OE1-NZ 2.94Å; E694-K739 VanDerWaalsContact OE2-CD 3.25Å; E694-K739 WeakPolarHBondContact OE2-CD 3.39Å; E694-K739 WeakPolarHBondContact OE2-CE 3.32Å; E694-K739 IonicContact OE2-NZ 2.76Å; E694-K739 PolarHBondContact OE2-NZ 2.84Å; I695-K739 HydrophobicContact CD1-CB 4.33Å; I695-K739 WeakPolarHBondContact CD1-O 3.42Å; I695-K739 HydrophobicContact CG1-CB 4.19Å; Y736-K739 HydrophobicContact CD1-CB 4.37Å; Y736-K739 HydrophobicContact CD1-CD 3.74Å; Y736-K739 HydrophobicContact CE1-CD 3.65Å; Y736-K739 HydrophobicContact CG-CD 4.37Å; Y736-K739 PolarHBondContact O-N 3.39Å; K739-T741 VanDerWaalsContact C-N 3.34Å; K739-T741 PolarHBondContact O-N 2.79Å; K739-D742 PolarHBondContact O-N 3.48Å; K739-F743 WeakPolarHBondContact O-CB 3.43Å; K739-F743 PolarHBondContact O-N 3.25Å |
| 740 | M | 90.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -32.2 | 174.2 | -160.3 | 69.7 | -153.7 | 0 | 0 | 113.3 | I695 Y736 R738 F743 N744 L769 N770 W773 | I695-M740 HydrophobicContact CD1-SD 4.12Å; I695-M740 HydrophobicContact CG2-SD 3.82Å; Y736-M740 PolarHBondContact O-N 2.9Å; Y736-M740 VanDerWaalsContact O-N 3.12Å; R738-M740 PolarHBondContact O-N 3.5Å; M740-F743 HydrophobicContact CE-CD1 4.25Å; M740-N744 WeakPolarHBondContact O-CB 3.37Å; M740-N744 PolarHBondContact O-N 2.96Å; M740-N744 PolarHBondContact O-ND2 3.3Å; M740-N744 VanDerWaalsContact O-ND2 3.11Å; M740-L769 HydrophobicContact CE-CB 4.24Å; M740-L769 HydrophobicContact CE-CD2 4.27Å; M740-L769 HydrophobicContact CE-CG 4.07Å; M740-L769 HydrophobicContact SD-CD2 4.43Å; M740-L769 HydrophobicContact SD-CG 4.4Å; M740-N770 HydrophobicContact CE-CB 4.14Å; M740-N770 VanDerWaalsContact CE-OD1 3.25Å; M740-N770 WeakPolarHBondContact CE-OD1 3.45Å; M740-W773 HydrophobicContact CB-CE3 4.48Å; M740-W773 HydrophobicContact CG-CD2 4.22Å; M740-W773 HydrophobicContact CG-CE3 4.34Å; M740-W773 HydrophobicContact CG-CG 4.43Å; M740-W773 HydrophobicContact SD-CB 4.41Å; M740-W773 HydrophobicContact SD-CD2 4.41Å; M740-W773 HydrophobicContact SD-CE3 4.23Å; M740-W773 HydrophobicContact SD-CG 4.48Å |
| 741 | T | 87.6 | Confident | 87.7 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72 | -47.7 | 170 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | R737 R738 K739 F743 N744 E745 | R737-T741 PolarHBondContact O-N 3.03Å; R738-T741 PolarHBondContact O-N 2.83Å; R738-T741 PolarHBondContact O-OG1 3.46Å; K739-T741 VanDerWaalsContact C-N 3.34Å; K739-T741 PolarHBondContact O-N 2.79Å; T741-F743 VanDerWaalsContact C-N 3.28Å; T741-F743 PolarHBondContact O-N 3.26Å; T741-N744 PolarHBondContact O-N 2.95Å; T741-N744 VanDerWaalsContact O-N 3.09Å; T741-E745 WeakPolarHBondContact O-CG 3.23Å; T741-E745 PolarHBondContact O-N 3.47Å |
| 742 | D | 88.5 | Confident | 87.7 | Confident | 66 Ų | 66 | 58.8 Ų | 58.8 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | -178.9 | -50.3 | -17.3 | 0 | 0 | 0 | 111.8 | L691 R738 K739 L746 | L691-D742 HydrophobicContact CD1-CB 4.32Å; R738-D742 PolarHBondContact O-N 3.33Å; K739-D742 PolarHBondContact O-N 3.48Å; D742-L746 WeakPolarHBondContact O-CB 3.26Å; D742-L746 PolarHBondContact O-N 2.84Å |
| 743 | F | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 174.9 | 169.8 | -99.4 | 0 | 0 | 0 | 113 | W688 L691 R692 I695 K739 M740 T741 E745 L746 S747 T766 L769 | W688-F743 AromaticContact CD1-CE2 3.74Å; W688-F743 HydrophobicContact CD2-CE2 4.34Å; W688-F743 AromaticContact CE2-CE2 3.63Å; W688-F743 HydrophobicContact CG-CE2 4.39Å; W688-F743 HydrophobicContact CZ2-CE2 4.09Å; W688-F743 HydrophobicContact CZ2-CZ 4.15Å; W688-F743 AromaticContact NE1-CD2 3.94Å; W688-F743 AromaticContact NE1-CE2 3.22Å; W688-F743 AromaticContact NE1-CZ 3.66Å; L691-F743 HydrophobicContact CB-CB 4.22Å; L691-F743 HydrophobicContact CB-CD2 4.08Å; R692-F743 HydrophobicContact CB-CD2 4.36Å; R692-F743 HydrophobicContact CB-CE2 3.76Å; R692-F743 HydrophobicContact CG-CE2 4.01Å; R692-F743 HydrophobicContact CG-CZ 4.32Å; I695-F743 HydrophobicContact CD1-CB 3.53Å; I695-F743 HydrophobicContact CD1-CD1 4.45Å; I695-F743 HydrophobicContact CD1-CG 3.93Å; K739-F743 WeakPolarHBondContact O-CB 3.43Å; K739-F743 PolarHBondContact O-N 3.25Å; M740-F743 HydrophobicContact CE-CD1 4.25Å; T741-F743 VanDerWaalsContact C-N 3.28Å; T741-F743 PolarHBondContact O-N 3.26Å; F743-E745 VanDerWaalsContact C-N 3.35Å; F743-L746 PolarHBondContact O-N 2.86Å; F743-S747 VanDerWaalsContact O-CB 3.27Å; F743-S747 WeakPolarHBondContact O-CB 3.23Å; F743-S747 PolarHBondContact O-N 3.04Å; F743-T766 HydrophobicContact CE1-CG2 3.8Å; F743-T766 HydrophobicContact CZ-CG2 4.35Å; F743-T766 WeakPolarHBondContact CZ-OG1 3.35Å; F743-L769 HydrophobicContact CD1-CD2 3.74Å; F743-L769 HydrophobicContact CD2-CD2 4.34Å; F743-L769 HydrophobicContact CE1-CB 4.17Å; F743-L769 HydrophobicContact CE1-CD2 3.44Å; F743-L769 VanDerWaalsContact CE1-CD2 3.44Å; F743-L769 HydrophobicContact CE1-CG 4.41Å; F743-L769 HydrophobicContact CE2-CD2 4.09Å; F743-L769 HydrophobicContact CG-CD2 4.19Å; F743-L769 HydrophobicContact CZ-CD2 3.64Å |
| 744 | N | 88.9 | Confident | 87.6 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -38 | 178.8 | -79.4 | -30.2 | 0 | 0 | 0 | 111.3 | M740 T741 N748 T766 N770 | M740-N744 WeakPolarHBondContact O-CB 3.37Å; M740-N744 PolarHBondContact O-N 2.96Å; M740-N744 PolarHBondContact O-ND2 3.3Å; M740-N744 VanDerWaalsContact O-ND2 3.11Å; T741-N744 PolarHBondContact O-N 2.95Å; T741-N744 VanDerWaalsContact O-N 3.09Å; N744-N748 VanDerWaalsContact O-CG 3.25Å; N744-N748 PolarHBondContact O-N 3.18Å; N744-N748 VanDerWaalsContact O-N 3.13Å; N744-N748 PolarHBondContact O-ND2 3.46Å; N744-T766 WeakPolarHBondContact OD1-CG2 3.4Å; N744-N770 PolarHBondContact ND2-OD1 3.42Å; N744-N770 PolarHBondContact OD1-ND2 2.75Å |
| 745 | E | 89.9 | Confident | 87.6 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 174.8 | -73.6 | 179.4 | -160 | 0 | 0 | 112 | T741 F743 S747 N748 F749 | T741-E745 WeakPolarHBondContact O-CG 3.23Å; T741-E745 PolarHBondContact O-N 3.47Å; F743-E745 VanDerWaalsContact C-N 3.35Å; E745-S747 VanDerWaalsContact C-N 3.32Å; E745-S747 PolarHBondContact O-N 3.5Å; E745-N748 PolarHBondContact O-N 3.02Å; E745-F749 WeakPolarHBondContact O-CB 3.25Å; E745-F749 PolarHBondContact O-N 2.88Å |
| 746 | L | 88.7 | Confident | 87.3 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 178.4 | -178.6 | 59.5 | 0 | 0 | 0 | 112.3 | R687 W688 L691 D742 F743 F749 M750 | R687-L746 HydrophobicContact CB-CD2 3.62Å; W688-L746 HydrophobicContact CB-CD2 3.81Å; W688-L746 HydrophobicContact CB-CG 4.15Å; L691-L746 HydrophobicContact CD1-CD2 4.08Å; D742-L746 WeakPolarHBondContact O-CB 3.26Å; D742-L746 PolarHBondContact O-N 2.84Å; F743-L746 PolarHBondContact O-N 2.86Å; L746-F749 HydrophobicContact CD1-CD1 4.05Å; L746-F749 PolarHBondContact O-N 3.4Å; L746-M750 HydrophobicContact CD1-CG 4.38Å; L746-M750 WeakPolarHBondContact O-CG 3.49Å; L746-M750 PolarHBondContact O-N 3.28Å |
| 747 | S | 88 | Confident | 87.1 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.3 | -51 | 172.7 | -179 | 0 | 0 | 0 | 0 | 111.2 | F743 E745 M750 V751 L762 T766 | F743-S747 VanDerWaalsContact O-CB 3.27Å; F743-S747 WeakPolarHBondContact O-CB 3.23Å; F743-S747 PolarHBondContact O-N 3.04Å; E745-S747 VanDerWaalsContact C-N 3.32Å; E745-S747 PolarHBondContact O-N 3.5Å; S747-M750 PolarHBondContact O-N 3.02Å; S747-V751 WeakPolarHBondContact O-CG2 3.45Å; S747-V751 PolarHBondContact O-N 3.09Å; S747-L762 WeakPolarHBondContact OG-CD2 3.22Å; S747-T766 WeakPolarHBondContact CB-OG1 3.07Å; S747-T766 WeakPolarHBondContact OG-CB 3.41Å; S747-T766 WeakPolarHBondContact OG-CG2 3.41Å; S747-T766 PolarHBondContact OG-OG1 3.46Å |
| 748 | N | 86.5 | Confident | 86.9 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | -180 | -65.7 | -24.4 | 0 | 0 | 0 | 111.3 | N744 E745 M750 V751 E752 | N744-N748 VanDerWaalsContact O-CG 3.25Å; N744-N748 PolarHBondContact O-N 3.18Å; N744-N748 VanDerWaalsContact O-N 3.13Å; N744-N748 PolarHBondContact O-ND2 3.46Å; E745-N748 PolarHBondContact O-N 3.02Å; N748-M750 VanDerWaalsContact C-N 3.29Å; N748-M750 PolarHBondContact O-N 2.86Å; N748-V751 PolarHBondContact O-N 3.35Å; N748-V751 VanDerWaalsContact O-N 3.17Å; N748-E752 WeakPolarHBondContact O-CG 3.43Å; N748-E752 PolarHBondContact O-N 3.46Å |
| 749 | F | 89 | Confident | 86.8 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.1 | -40.2 | 177.3 | 173.1 | -95.2 | 0 | 0 | 0 | 113.1 | K581 H684 E745 L746 E752 T753 | K581-F749 HydrophobicContact CD-CD2 3.79Å; K581-F749 HydrophobicContact CD-CE2 3.96Å; K581-F749 HydrophobicContact CG-CD2 4.09Å; K581-F749 HydrophobicContact CG-CE2 3.98Å; H684-F749 AromaticContact CE1-CE1 3.69Å; H684-F749 AromaticContact ND1-CE1 3.74Å; H684-F749 AromaticContact NE2-CE1 3.94Å; E745-F749 WeakPolarHBondContact O-CB 3.25Å; E745-F749 PolarHBondContact O-N 2.88Å; L746-F749 HydrophobicContact CD1-CD1 4.05Å; L746-F749 PolarHBondContact O-N 3.4Å; F749-E752 PolarHBondContact O-N 3.34Å; F749-T753 VanDerWaalsContact O-CB 3.31Å; F749-T753 WeakPolarHBondContact O-CB 3.42Å; F749-T753 PolarHBondContact O-N 3.44Å; F749-T753 PolarHBondContact O-OG1 3.46Å |
| 750 | M | 86.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 177.3 | -77 | -178.1 | 64.2 | 0 | 0 | 113.1 | L614 H684 S685 W688 L746 S747 N748 E752 T753 Y754 L762 | L614-M750 HydrophobicContact CD2-CE 3.86Å; H684-M750 HydrophobicContact CB-CG 3.99Å; H684-M750 HydrophobicContact CB-SD 4.1Å; S685-M750 WeakPolarHBondContact OG-CE 3.29Å; W688-M750 HydrophobicContact CB-SD 3.63Å; W688-M750 HydrophobicContact CG-SD 4.02Å; L746-M750 HydrophobicContact CD1-CG 4.38Å; L746-M750 WeakPolarHBondContact O-CG 3.49Å; L746-M750 PolarHBondContact O-N 3.28Å; S747-M750 PolarHBondContact O-N 3.02Å; N748-M750 VanDerWaalsContact C-N 3.29Å; N748-M750 PolarHBondContact O-N 2.86Å; M750-E752 VanDerWaalsContact C-N 3.32Å; M750-T753 PolarHBondContact O-N 3.23Å; M750-Y754 PolarHBondContact O-N 3.38Å; M750-L762 HydrophobicContact CB-CD1 3.93Å; M750-L762 HydrophobicContact CE-CD1 3.5Å; M750-L762 VanDerWaalsContact CE-CD1 3.5Å; M750-L762 HydrophobicContact CG-CD1 4.48Å; M750-L762 HydrophobicContact SD-CD1 3.75Å |
| 751 | V | 86.4 | Confident | 86.3 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.2 | 179 | 0 | 0 | 0 | 0 | 111.3 | S747 N748 A759 L762 | S747-V751 WeakPolarHBondContact O-CG2 3.45Å; S747-V751 PolarHBondContact O-N 3.09Å; N748-V751 PolarHBondContact O-N 3.35Å; N748-V751 VanDerWaalsContact O-N 3.17Å; V751-A759 HydrophobicContact CG1-CB 4.16Å; V751-A759 HydrophobicContact CG2-CB 4.22Å; V751-L762 HydrophobicContact CG2-CD2 3.61Å |
| 752 | E | 85.1 | Confident | 86.3 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.2 | -27.4 | -179.6 | -70.5 | 177.7 | -164.3 | 0 | 0 | 113.9 | K581 N748 F749 M750 V755 | K581-E752 WeakPolarHBondContact CE-OE2 3.48Å; K581-E752 IonicContact NZ-OE2 3.77Å; K581-E752 PolarHBondContact NZ-OE2 2.97Å; N748-E752 WeakPolarHBondContact O-CG 3.43Å; N748-E752 PolarHBondContact O-N 3.46Å; F749-E752 PolarHBondContact O-N 3.34Å; M750-E752 VanDerWaalsContact C-N 3.32Å; E752-V755 WeakPolarHBondContact O-CG2 3.29Å |
| 753 | T | 84.7 | Confident | 86.2 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -85.1 | -44.3 | -175.4 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | F749 M750 V755 | F749-T753 VanDerWaalsContact O-CB 3.31Å; F749-T753 WeakPolarHBondContact O-CB 3.42Å; F749-T753 PolarHBondContact O-N 3.44Å; F749-T753 PolarHBondContact O-OG1 3.46Å; M750-T753 PolarHBondContact O-N 3.23Å; T753-V755 PolarHBondContact O-N 3.04Å |
| 754 | Y | 85.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | trans | -105.3 | 54.1 | -167.7 | -61.4 | -64.7 | 0 | 0 | 0 | 112.7 | L614 E677 E680 M681 H684 M750 H756 D757 | L614-Y754 HydrophobicContact CD2-CD2 3.53Å; L614-Y754 HydrophobicContact CD2-CE2 4.5Å; L614-Y754 HydrophobicContact CD2-CG 3.9Å; E677-Y754 HydrophobicContact CG-CD1 4.33Å; E677-Y754 HydrophobicContact CG-CE1 4.14Å; E680-Y754 WeakPolarHBondContact CB-OH 3.29Å; E680-Y754 PolarHBondContact O-OH 2.84Å; M681-Y754 WeakPolarHBondContact CA-OH 3.49Å; M681-Y754 HydrophobicContact CB-CD1 4.24Å; M681-Y754 HydrophobicContact CB-CD2 4.39Å; M681-Y754 HydrophobicContact CB-CE1 3.83Å; M681-Y754 HydrophobicContact CB-CE2 3.96Å; M681-Y754 HydrophobicContact CG-CD2 4.13Å; M681-Y754 HydrophobicContact CG-CE2 4.08Å; M681-Y754 HydrophobicContact CG-CG 4.33Å; M681-Y754 PolarHBondContact N-OH 3Å; M681-Y754 HydrophobicContact SD-CD1 4.26Å; M681-Y754 HydrophobicContact SD-CD2 4.29Å; M681-Y754 HydrophobicContact SD-CG 4Å; H684-Y754 HydrophobicContact CB-CE2 4.31Å; H684-Y754 AromaticContact ND1-CE2 3.77Å; H684-Y754 AromaticContact ND1-CZ 3.74Å; H684-Y754 PolarHBondContact ND1-OH 2.84Å; M750-Y754 PolarHBondContact O-N 3.38Å; Y754-H756 PolarHBondContact O-N 3.4Å; Y754-D757 PolarHBondContact O-N 3.34Å | ||
| 755 | V | 83.2 | Confident | 86 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 66% | 0.661 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9.7 | -169.2 | -168.2 | 0 | 0 | 0 | 0 | 114.5 | E752 T753 | E752-V755 WeakPolarHBondContact O-CG2 3.29Å; T753-V755 PolarHBondContact O-N 3.04Å |
| 756 | H | 80.2 | Confident | 86 | Confident | 149 Ų | 149 | 51.3 Ų | 51.3 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -8.3 | 177.9 | -62.3 | -42.7 | 0 | 0 | 0 | 114.6 | F611 Y754 | F611-H756 VanDerWaalsContact CD1-O 3.26Å; F611-H756 WeakPolarHBondContact CD1-O 3.28Å; F611-H756 HydrophobicContact CE1-CB 4.36Å; Y754-H756 PolarHBondContact O-N 3.4Å |
| 757 | D | 85.2 | Confident | 86 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -108.1 | 160.8 | 177.2 | -75.9 | -78.9 | 0 | 0 | 0 | 111 | F611 C612 L614 R674 M681 Y754 A759 | F611-D757 WeakPolarHBondContact CA-OD1 3.35Å; C612-D757 PolarHBondContact N-OD1 3.19Å; C612-D757 WeakPolarHBondContact O-CB 3.49Å; C612-D757 PolarHBondContact SG-OD1 2.91Å; L614-D757 HydrophobicContact CD1-CB 4.47Å; L614-D757 HydrophobicContact CG-CB 4.29Å; R674-D757 IonicContact CZ-OD1 3.51Å; R674-D757 IonicContact CZ-OD2 2.67Å; R674-D757 IonicContact NH1-OD2 3.41Å; R674-D757 PolarHBondContact NH1-OD2 3.37Å; R674-D757 VanDerWaalsContact NH2-CG 3.34Å; R674-D757 IonicContact NH2-OD1 3.88Å; R674-D757 PolarHBondContact NH2-OD1 2.87Å; R674-D757 IonicContact NH2-OD2 3.35Å; R674-D757 PolarHBondContact NH2-OD2 3.08Å; M681-D757 HydrophobicContact CE-CB 4.42Å; M681-D757 HydrophobicContact SD-CB 4.13Å; Y754-D757 PolarHBondContact O-N 3.34Å; D757-A759 PolarHBondContact O-N 3.21Å |
| 758 | D | 85.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -79.8 | 108.5 | -168.7 | 174.1 | 14.1 | 0 | 0 | 0 | 112.8 | C612 K613 L614 A760 | C612-D758 PolarHBondContact O-N 3.13Å; K613-D758 HydrophobicContact CG-CB 3.84Å; K613-D758 WeakPolarHBondContact CG-OD2 3.29Å; L614-D758 PolarHBondContact N-O 3.4Å; D758-A760 VanDerWaalsContact OD1-CB 3.25Å; D758-A760 WeakPolarHBondContact OD1-CB 3.47Å; D758-A760 PolarHBondContact OD1-N 3.25Å |
| 759 | A | 85.3 | Confident | 86.2 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | trans | -84.5 | -4.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L614 V751 D757 S761 S763 | L614-A759 HydrophobicContact CD1-CB 3.82Å; V751-A759 HydrophobicContact CG1-CB 4.16Å; V751-A759 HydrophobicContact CG2-CB 4.22Å; D757-A759 PolarHBondContact O-N 3.21Å; A759-S761 PolarHBondContact O-N 3.26Å; A759-S763 PolarHBondContact O-N 2.97Å; A759-S763 PolarHBondContact O-OG 2.93Å | ||
| 760 | A | 84.6 | Confident | 86.3 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D758 S763 Q764 | D758-A760 VanDerWaalsContact OD1-CB 3.25Å; D758-A760 WeakPolarHBondContact OD1-CB 3.47Å; D758-A760 PolarHBondContact OD1-N 3.25Å; A760-S763 PolarHBondContact O-N 3.21Å; A760-Q764 PolarHBondContact O-N 3.09Å |
| 761 | S | 82.9 | Confident | 86.5 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | -178.3 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | M616 A759 S763 Q764 M765 | M616-S761 WeakPolarHBondContact CE-OG 3.39Å; A759-S761 PolarHBondContact O-N 3.26Å; S761-S763 PolarHBondContact O-N 3.25Å; S761-Q764 PolarHBondContact O-N 2.93Å; S761-M765 WeakPolarHBondContact O-CG 3.34Å; S761-M765 PolarHBondContact O-N 3.42Å; S761-M765 VanDerWaalsContact O-N 3.15Å |
| 762 | L | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 178.7 | 177 | 149 | 0 | 0 | 0 | 110.9 | L614 W688 S747 M750 V751 Q764 M765 T766 | L614-L762 HydrophobicContact CB-CB 4.46Å; L614-L762 HydrophobicContact CB-CD1 4.33Å; W688-L762 HydrophobicContact CD2-CD1 3.95Å; W688-L762 HydrophobicContact CD2-CG 4.24Å; W688-L762 HydrophobicContact CE3-CD1 4.35Å; W688-L762 HydrophobicContact CG-CD1 4.28Å; W688-L762 HydrophobicContact CH2-CB 4.32Å; W688-L762 HydrophobicContact CH2-CG 4.15Å; W688-L762 HydrophobicContact CZ2-CB 4.25Å; W688-L762 HydrophobicContact CZ2-CD1 4.3Å; W688-L762 HydrophobicContact CZ2-CG 3.67Å; S747-L762 WeakPolarHBondContact OG-CD2 3.22Å; M750-L762 HydrophobicContact CB-CD1 3.93Å; M750-L762 HydrophobicContact CE-CD1 3.5Å; M750-L762 VanDerWaalsContact CE-CD1 3.5Å; M750-L762 HydrophobicContact CG-CD1 4.48Å; M750-L762 HydrophobicContact SD-CD1 3.75Å; V751-L762 HydrophobicContact CG2-CD2 3.61Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.23Å; L762-M765 PolarHBondContact O-N 3.29Å; L762-T766 PolarHBondContact O-N 3.28Å; L762-T766 PolarHBondContact O-OG1 3.46Å |
| 763 | S | 86.5 | Confident | 87 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | A759 A760 S761 S767 | A759-S763 PolarHBondContact O-N 2.97Å; A759-S763 PolarHBondContact O-OG 2.93Å; A760-S763 PolarHBondContact O-N 3.21Å; S761-S763 PolarHBondContact O-N 3.25Å; S763-S767 PolarHBondContact O-N 3Å |
| 764 | Q | 87.8 | Confident | 87.3 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 177.5 | -177.6 | 62.5 | 61.8 | 0 | 0 | 112.2 | A760 S761 L762 S767 N768 | A760-Q764 PolarHBondContact O-N 3.09Å; S761-Q764 PolarHBondContact O-N 2.93Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3.23Å; Q764-S767 PolarHBondContact O-N 3.13Å; Q764-N768 PolarHBondContact NE2-OD1 3.29Å; Q764-N768 PolarHBondContact O-N 3.25Å; Q764-N768 PolarHBondContact O-OD1 3.4Å |
| 765 | M | 87.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.9 | -69.8 | 178.6 | -179 | 0 | 0 | 111.5 | M616 W688 S761 L762 S767 N768 L769 | M616-M765 HydrophobicContact CE-CE 3.84Å; W688-M765 HydrophobicContact CH2-CB 3.72Å; W688-M765 HydrophobicContact CH2-CG 4.27Å; W688-M765 HydrophobicContact CH2-SD 3.65Å; W688-M765 HydrophobicContact CZ2-CB 3.93Å; W688-M765 HydrophobicContact CZ3-SD 4.24Å; S761-M765 WeakPolarHBondContact O-CG 3.34Å; S761-M765 PolarHBondContact O-N 3.42Å; S761-M765 VanDerWaalsContact O-N 3.15Å; L762-M765 PolarHBondContact O-N 3.29Å; M765-S767 PolarHBondContact O-N 3.45Å; M765-N768 PolarHBondContact O-N 3.16Å; M765-L769 PolarHBondContact O-N 2.98Å; M765-L769 VanDerWaalsContact O-N 3.13Å |
| 766 | T | 89.4 | Confident | 87.6 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | F743 N744 S747 L762 L769 N770 | F743-T766 HydrophobicContact CE1-CG2 3.8Å; F743-T766 HydrophobicContact CZ-CG2 4.35Å; F743-T766 WeakPolarHBondContact CZ-OG1 3.35Å; N744-T766 WeakPolarHBondContact OD1-CG2 3.4Å; S747-T766 WeakPolarHBondContact CB-OG1 3.07Å; S747-T766 WeakPolarHBondContact OG-CB 3.41Å; S747-T766 WeakPolarHBondContact OG-CG2 3.41Å; S747-T766 PolarHBondContact OG-OG1 3.46Å; L762-T766 PolarHBondContact O-N 3.28Å; L762-T766 PolarHBondContact O-OG1 3.46Å; T766-L769 PolarHBondContact O-N 2.72Å; T766-N770 PolarHBondContact O-N 2.86Å; T766-N770 PolarHBondContact O-ND2 3.13Å |
| 767 | S | 89.6 | Confident | 88 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 176 | -172.5 | 0 | 0 | 0 | 0 | 113 | S763 Q764 M765 L769 T771 | S763-S767 PolarHBondContact O-N 3Å; Q764-S767 PolarHBondContact O-N 3.13Å; M765-S767 PolarHBondContact O-N 3.45Å; S767-L769 VanDerWaalsContact C-N 3.32Å; S767-L769 PolarHBondContact O-N 3.4Å; S767-T771 PolarHBondContact O-N 3.34Å; S767-T771 PolarHBondContact O-OG1 3.34Å |
| 768 | N | 89.3 | Confident | 88.1 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.8 | -67.4 | -9.6 | 0 | 0 | 0 | 111.4 | Q764 M765 T771 L772 | Q764-N768 PolarHBondContact NE2-OD1 3.29Å; Q764-N768 PolarHBondContact O-N 3.25Å; Q764-N768 PolarHBondContact O-OD1 3.4Å; M765-N768 PolarHBondContact O-N 3.16Å; N768-T771 WeakPolarHBondContact O-CB 3.26Å; N768-T771 PolarHBondContact O-N 2.95Å; N768-L772 PolarHBondContact O-N 3.33Å; N768-L772 VanDerWaalsContact O-N 3.07Å |
| 769 | L | 89.5 | Confident | 88.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -42.2 | -175.2 | -160.4 | 64.5 | 0 | 0 | 0 | 112.9 | R692 I695 E696 L699 M740 F743 M765 T766 S767 T771 L772 W773 | R692-L769 HydrophobicContact CG-CD2 4.23Å; I695-L769 HydrophobicContact CB-CD2 3.97Å; I695-L769 HydrophobicContact CD1-CD2 4.16Å; I695-L769 HydrophobicContact CG2-CD1 3.94Å; I695-L769 HydrophobicContact CG2-CD2 3.74Å; I695-L769 HydrophobicContact CG2-CG 3.86Å; E696-L769 HydrophobicContact CG-CD1 3.44Å; E696-L769 VanDerWaalsContact CG-CD1 3.44Å; L699-L769 HydrophobicContact CD1-CD1 3.96Å; M740-L769 HydrophobicContact CE-CB 4.24Å; M740-L769 HydrophobicContact CE-CD2 4.27Å; M740-L769 HydrophobicContact CE-CG 4.07Å; M740-L769 HydrophobicContact SD-CD2 4.43Å; M740-L769 HydrophobicContact SD-CG 4.4Å; F743-L769 HydrophobicContact CD1-CD2 3.74Å; F743-L769 HydrophobicContact CD2-CD2 4.34Å; F743-L769 HydrophobicContact CE1-CB 4.17Å; F743-L769 HydrophobicContact CE1-CD2 3.44Å; F743-L769 VanDerWaalsContact CE1-CD2 3.44Å; F743-L769 HydrophobicContact CE1-CG 4.41Å; F743-L769 HydrophobicContact CE2-CD2 4.09Å; F743-L769 HydrophobicContact CG-CD2 4.19Å; F743-L769 HydrophobicContact CZ-CD2 3.64Å; M765-L769 PolarHBondContact O-N 2.98Å; M765-L769 VanDerWaalsContact O-N 3.13Å; T766-L769 PolarHBondContact O-N 2.72Å; S767-L769 VanDerWaalsContact C-N 3.32Å; S767-L769 PolarHBondContact O-N 3.4Å; L769-T771 PolarHBondContact O-N 2.89Å; L769-L772 PolarHBondContact O-N 3.25Å; L769-W773 WeakPolarHBondContact O-CB 3.41Å; L769-W773 PolarHBondContact O-N 3.34Å |
| 770 | N | 90.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -31 | 174.8 | -76.7 | -83.3 | 0 | 0 | 0 | 112.4 | M740 N744 T766 S774 | M740-N770 HydrophobicContact CE-CB 4.14Å; M740-N770 VanDerWaalsContact CE-OD1 3.25Å; M740-N770 WeakPolarHBondContact CE-OD1 3.45Å; N744-N770 PolarHBondContact ND2-OD1 3.42Å; N744-N770 PolarHBondContact OD1-ND2 2.75Å; T766-N770 PolarHBondContact O-N 2.86Å; T766-N770 PolarHBondContact O-ND2 3.13Å; N770-S774 PolarHBondContact O-N 3.45Å; N770-S774 PolarHBondContact O-OG 3.36Å |
| 771 | T | 89.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.564 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71.6 | -44.8 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | S767 N768 L769 S774 K775 | S767-T771 PolarHBondContact O-N 3.34Å; S767-T771 PolarHBondContact O-OG1 3.34Å; N768-T771 WeakPolarHBondContact O-CB 3.26Å; N768-T771 PolarHBondContact O-N 2.95Å; L769-T771 PolarHBondContact O-N 2.89Å; T771-S774 PolarHBondContact O-N 3.24Å; T771-K775 PolarHBondContact O-N 2.75Å |
| 772 | L | 90.3 | Very high | 88.6 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.8 | -69.9 | 171.2 | 0 | 0 | 0 | 112.3 | L699 N768 L769 S774 T776 | L699-L772 HydrophobicContact CD1-CB 3.88Å; N768-L772 PolarHBondContact O-N 3.33Å; N768-L772 VanDerWaalsContact O-N 3.07Å; L769-L772 PolarHBondContact O-N 3.25Å; L772-S774 PolarHBondContact O-N 2.87Å; L772-T776 WeakPolarHBondContact O-CB 3.34Å; L772-T776 PolarHBondContact O-N 2.63Å; L772-T776 VanDerWaalsContact O-N 3.08Å; L772-T776 PolarHBondContact O-OG1 2.84Å |
| 773 | W | 92.1 | Very high | 88.5 | Confident | 39 Ų | 39 | 63 Ų | 63 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.4 | -53 | 174.8 | 175.3 | -93.8 | 0 | 0 | 0 | 111.8 | F698 L699 A733 R737 M740 L769 T776 N777 | F698-W773 HydrophobicContact CD1-CZ3 4.14Å; F698-W773 HydrophobicContact CE1-CE3 4.34Å; F698-W773 HydrophobicContact CE1-CH2 4.37Å; F698-W773 AromaticContact CE1-CZ3 3.65Å; F698-W773 HydrophobicContact CE1-CZ3 3.65Å; L699-W773 HydrophobicContact CD1-CB 4.33Å; L699-W773 HydrophobicContact CD2-CE3 3.97Å; A733-W773 WeakPolarHBondContact O-CH2 3.24Å; R737-W773 HydrophobicContact CB-CH2 4.29Å; R737-W773 HydrophobicContact CB-CZ2 4.17Å; R737-W773 HydrophobicContact CG-CZ2 4.47Å; M740-W773 HydrophobicContact CB-CE3 4.48Å; M740-W773 HydrophobicContact CG-CD2 4.22Å; M740-W773 HydrophobicContact CG-CE3 4.34Å; M740-W773 HydrophobicContact CG-CG 4.43Å; M740-W773 HydrophobicContact SD-CB 4.41Å; M740-W773 HydrophobicContact SD-CD2 4.41Å; M740-W773 HydrophobicContact SD-CE3 4.23Å; M740-W773 HydrophobicContact SD-CG 4.48Å; L769-W773 WeakPolarHBondContact O-CB 3.41Å; L769-W773 PolarHBondContact O-N 3.34Å; W773-T776 PolarHBondContact O-N 2.87Å; W773-N777 PolarHBondContact O-N 2.99Å |
| 774 | S | 90.1 | Very high | 88.4 | Confident | 68 Ų | 68 | 63 Ų | 63 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | -175.9 | -55.3 | 0 | 0 | 0 | 0 | 112 | N770 T771 L772 T776 N777 D778 | N770-S774 PolarHBondContact O-N 3.45Å; N770-S774 PolarHBondContact O-OG 3.36Å; T771-S774 PolarHBondContact O-N 3.24Å; L772-S774 PolarHBondContact O-N 2.87Å; S774-T776 VanDerWaalsContact C-N 3.31Å; S774-T776 PolarHBondContact O-N 3Å; S774-N777 PolarHBondContact O-N 2.72Å; S774-D778 PolarHBondContact O-N 3.04Å |
| 775 | K | 88.8 | Confident | 88.3 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 46% | 0.457 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 177.6 | -177.1 | -159.1 | 176.1 | -155.3 | 0 | 112.4 | E703 T771 N779 | E703-K775 WeakPolarHBondContact OE1-CE 3.46Å; E703-K775 IonicContact OE1-NZ 2.74Å; E703-K775 PolarHBondContact OE1-NZ 2.98Å; T771-K775 PolarHBondContact O-N 2.75Å; K775-N779 PolarHBondContact O-N 2.64Å; K775-N779 PolarHBondContact O-ND2 3.11Å |
| 776 | T | 87.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | L699 C702 I706 L772 W773 S774 L780 | L699-T776 HydrophobicContact CD2-CG2 4.1Å; C702-T776 HydrophobicContact CB-CG2 3.44Å; C702-T776 VanDerWaalsContact CB-CG2 3.44Å; I706-T776 HydrophobicContact CD1-CG2 3.96Å; L772-T776 WeakPolarHBondContact O-CB 3.34Å; L772-T776 PolarHBondContact O-N 2.63Å; L772-T776 VanDerWaalsContact O-N 3.08Å; L772-T776 PolarHBondContact O-OG1 2.84Å; W773-T776 PolarHBondContact O-N 2.87Å; S774-T776 VanDerWaalsContact C-N 3.31Å; S774-T776 PolarHBondContact O-N 3Å; T776-L780 PolarHBondContact O-N 2.67Å |
| 777 | N | 88.4 | Confident | 87.6 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | -178 | -166.8 | 43.4 | 0 | 0 | 0 | 113.4 | W773 S774 L780 R781 | W773-N777 PolarHBondContact O-N 2.99Å; S774-N777 PolarHBondContact O-N 2.72Å; N777-L780 PolarHBondContact O-N 3.25Å; N777-R781 PolarHBondContact O-N 3.44Å |
| 778 | D | 87.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 175.4 | -88.5 | -47 | 0 | 0 | 0 | 112.2 | S774 L780 R781 I782 | S774-D778 PolarHBondContact O-N 3.04Å; D778-L780 VanDerWaalsContact C-N 3.3Å; D778-L780 PolarHBondContact O-N 3.3Å; D778-R781 PolarHBondContact O-N 2.93Å; D778-R781 IonicContact OD1-CZ 2.81Å; D778-R781 VanDerWaalsContact OD1-CZ 3.26Å; D778-R781 IonicContact OD1-NH1 2.63Å; D778-R781 PolarHBondContact OD1-NH1 2.72Å; D778-R781 IonicContact OD1-NH2 2.7Å; D778-R781 PolarHBondContact OD1-NH2 2.67Å; D778-R781 VanDerWaalsContact OD1-NH2 3.1Å; D778-I782 WeakPolarHBondContact O-CG1 3.42Å; D778-I782 PolarHBondContact O-N 3.34Å; D778-I782 VanDerWaalsContact O-N 3.1Å |
| 779 | N | 87.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 59 Ų | 59 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.1 | -72.6 | -24.6 | 0 | 0 | 0 | 112.1 | I706 K775 I782 R783 | I706-N779 HydrophobicContact CG2-CB 3.9Å; K775-N779 PolarHBondContact O-N 2.64Å; K775-N779 PolarHBondContact O-ND2 3.11Å; N779-I782 PolarHBondContact O-N 3.43Å; N779-R783 PolarHBondContact O-N 2.82Å |
| 780 | L | 88 | Confident | 86.4 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 174.6 | 179.2 | 55.5 | 0 | 0 | 0 | 111.8 | I706 L726 L729 T776 N777 D778 I782 R783 K784 | I706-L780 HydrophobicContact CD1-CB 3.78Å; I706-L780 HydrophobicContact CD1-CD1 4.34Å; I706-L780 HydrophobicContact CG1-CB 4.37Å; I706-L780 HydrophobicContact CG1-CD1 4.18Å; L726-L780 HydrophobicContact CB-CD1 4.24Å; L726-L780 HydrophobicContact CD2-CD1 3.65Å; L729-L780 HydrophobicContact CB-CD1 3.75Å; L729-L780 HydrophobicContact CB-CD2 4.13Å; L729-L780 HydrophobicContact CD1-CD1 3.95Å; T776-L780 PolarHBondContact O-N 2.67Å; N777-L780 PolarHBondContact O-N 3.25Å; D778-L780 VanDerWaalsContact C-N 3.3Å; D778-L780 PolarHBondContact O-N 3.3Å; L780-I782 VanDerWaalsContact C-N 3.32Å; L780-I782 PolarHBondContact O-N 3.43Å; L780-R783 PolarHBondContact O-N 3.33Å; L780-K784 PolarHBondContact O-N 2.9Å |
| 781 | R | 86.5 | Confident | 85.8 | Confident | 160 Ų | 160 | 59.6 Ų | 59.6 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 179.4 | -167.8 | 178.5 | 75.2 | -115.8 | -5.7 | 111.8 | N777 D778 A785 | N777-R781 PolarHBondContact O-N 3.44Å; D778-R781 PolarHBondContact O-N 2.93Å; D778-R781 IonicContact OD1-CZ 2.81Å; D778-R781 VanDerWaalsContact OD1-CZ 3.26Å; D778-R781 IonicContact OD1-NH1 2.63Å; D778-R781 PolarHBondContact OD1-NH1 2.72Å; D778-R781 IonicContact OD1-NH2 2.7Å; D778-R781 PolarHBondContact OD1-NH2 2.67Å; D778-R781 VanDerWaalsContact OD1-NH2 3.1Å; R781-A785 PolarHBondContact O-N 3Å |
| 782 | I | 86.1 | Confident | 85.5 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68 | -49.3 | -179.4 | -65.3 | 167 | 0 | 0 | 0 | 111.1 | D778 N779 L780 K784 A785 V786 | D778-I782 WeakPolarHBondContact O-CG1 3.42Å; D778-I782 PolarHBondContact O-N 3.34Å; D778-I782 VanDerWaalsContact O-N 3.1Å; N779-I782 PolarHBondContact O-N 3.43Å; L780-I782 VanDerWaalsContact C-N 3.32Å; L780-I782 PolarHBondContact O-N 3.43Å; I782-K784 VanDerWaalsContact C-N 3.31Å; I782-K784 PolarHBondContact O-N 3.05Å; I782-A785 PolarHBondContact O-N 3.4Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.47Å |
| 783 | R | 84.5 | Confident | 84.9 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | -175.8 | -167.6 | 68.5 | 168.7 | 76.3 | -0.1 | 112.4 | I706 S708 A709 E722 L726 N779 L780 L787 | I706-R783 HydrophobicContact CG2-CB 4.37Å; S708-R783 PolarHBondContact O-NE 3.03Å; S708-R783 PolarHBondContact O-NH2 3.24Å; A709-R783 PolarHBondContact O-NH2 3.23Å; E722-R783 IonicContact OE1-NH2 3.05Å; E722-R783 PolarHBondContact OE1-NH2 2.86Å; E722-R783 IonicContact OE2-CZ 4Å; E722-R783 VanDerWaalsContact OE2-CZ 3.23Å; E722-R783 IonicContact OE2-NH1 2.76Å; E722-R783 PolarHBondContact OE2-NH1 3.45Å; E722-R783 IonicContact OE2-NH2 3.2Å; E722-R783 PolarHBondContact OE2-NH2 3.46Å; L726-R783 HydrophobicContact CD1-CB 4.27Å; L726-R783 HydrophobicContact CD1-CG 3.87Å; L726-R783 HydrophobicContact CD2-CB 4.22Å; L726-R783 HydrophobicContact CD2-CG 4.15Å; N779-R783 PolarHBondContact O-N 2.82Å; L780-R783 PolarHBondContact O-N 3.33Å; R783-L787 VanDerWaalsContact NH1-CD2 3.35Å |
| 784 | K | 85.5 | Confident | 84.1 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 175 | 176 | 167.4 | 168.2 | 171.2 | 0 | 112 | L723 L726 E727 L780 I782 V786 L787 E788 | L723-K784 HydrophobicContact CD2-CG 4.22Å; L726-K784 HydrophobicContact CB-CB 4.39Å; L726-K784 HydrophobicContact CD1-CB 4.49Å; E727-K784 HydrophobicContact CG-CD 4.24Å; E727-K784 IonicContact OE1-NZ 3.76Å; E727-K784 PolarHBondContact OE1-NZ 3.1Å; L780-K784 PolarHBondContact O-N 2.9Å; I782-K784 VanDerWaalsContact C-N 3.31Å; I782-K784 PolarHBondContact O-N 3.05Å; K784-V786 VanDerWaalsContact C-N 3.32Å; K784-V786 PolarHBondContact O-N 3.08Å; K784-L787 PolarHBondContact O-N 3.26Å; K784-E788 WeakPolarHBondContact CE-OE1 3.23Å; K784-E788 IonicContact NZ-OE1 2.77Å; K784-E788 PolarHBondContact O-N 2.66Å; K784-E788 VanDerWaalsContact O-N 3.15Å |
| 785 | A | 84.9 | Confident | 83.7 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R781 I782 A789 | R781-A785 PolarHBondContact O-N 3Å; I782-A785 PolarHBondContact O-N 3.4Å; A785-A789 PolarHBondContact O-N 2.93Å |
| 786 | V | 83.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 39% | 0.394 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | V711 I782 K784 A789 L790 | V711-V786 HydrophobicContact CG1-CG1 4Å; V711-V786 HydrophobicContact CG2-CG1 4.42Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.47Å; K784-V786 VanDerWaalsContact C-N 3.32Å; K784-V786 PolarHBondContact O-N 3.08Å; V786-A789 PolarHBondContact O-N 2.93Å; V786-L790 HydrophobicContact CG1-CD1 4.39Å; V786-L790 PolarHBondContact O-N 3.12Å |
| 787 | L | 80.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 177.9 | -73.1 | 171.4 | 0 | 0 | 0 | 112.8 | V711 L719 E722 L723 L726 R783 K784 A789 L790 S791 | V711-L787 HydrophobicContact CG1-CD2 3.69Å; V711-L787 HydrophobicContact CG1-CG 4.33Å; L719-L787 HydrophobicContact CD1-CD2 3.58Å; L719-L787 HydrophobicContact CG-CD2 3.8Å; E722-L787 HydrophobicContact CB-CD1 3.65Å; L723-L787 HydrophobicContact CD1-CB 4.24Å; L723-L787 HydrophobicContact CD2-CB 3.59Å; L723-L787 HydrophobicContact CD2-CD1 4.29Å; L723-L787 HydrophobicContact CG-CB 3.74Å; L723-L787 HydrophobicContact CG-CD1 4.18Å; L726-L787 HydrophobicContact CD1-CD1 3.51Å; R783-L787 VanDerWaalsContact NH1-CD2 3.35Å; K784-L787 PolarHBondContact O-N 3.26Å; L787-A789 VanDerWaalsContact C-N 3.29Å; L787-A789 PolarHBondContact O-N 3.21Å; L787-L790 PolarHBondContact O-N 3.36Å; L787-S791 PolarHBondContact O-N 3.12Å |
| 788 | E | 83.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 175.9 | -77.7 | -170.3 | -148.4 | 0 | 0 | 112.1 | L723 K784 S791 R792 | L723-E788 HydrophobicContact CD2-CG 3.83Å; K784-E788 WeakPolarHBondContact CE-OE1 3.23Å; K784-E788 IonicContact NZ-OE1 2.77Å; K784-E788 PolarHBondContact O-N 2.66Å; K784-E788 VanDerWaalsContact O-N 3.15Å; E788-S791 PolarHBondContact O-N 3.1Å; E788-R792 WeakPolarHBondContact O-CG 3.44Å; E788-R792 PolarHBondContact O-N 3.22Å; E788-R792 IonicContact OE2-CZ 3.82Å; E788-R792 IonicContact OE2-NH1 3.94Å; E788-R792 IonicContact OE2-NH2 2.75Å; E788-R792 PolarHBondContact OE2-NH2 3.25Å |
| 789 | A | 80.8 | Confident | 83 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A785 V786 L787 S791 R792 G793 | A785-A789 PolarHBondContact O-N 2.93Å; V786-A789 PolarHBondContact O-N 2.93Å; L787-A789 VanDerWaalsContact C-N 3.29Å; L787-A789 PolarHBondContact O-N 3.21Å; A789-S791 VanDerWaalsContact C-N 3.34Å; A789-S791 PolarHBondContact O-N 3.17Å; A789-R792 PolarHBondContact O-N 3.31Å; A789-G793 PolarHBondContact O-N 2.9Å; A789-G793 VanDerWaalsContact O-N 3.1Å |
| 790 | L | 77.5 | Confident | 83 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 178.3 | -72 | 167.8 | 0 | 0 | 0 | 112.9 | V711 L719 V786 L787 R794 T869 | V711-L790 HydrophobicContact CB-CD1 4.33Å; V711-L790 HydrophobicContact CG1-CD1 3.47Å; V711-L790 VanDerWaalsContact CG1-CD1 3.47Å; L719-L790 HydrophobicContact CD1-CB 3.98Å; V786-L790 HydrophobicContact CG1-CD1 4.39Å; V786-L790 PolarHBondContact O-N 3.12Å; L787-L790 PolarHBondContact O-N 3.36Å; L790-R794 PolarHBondContact O-N 3.38Å; L790-T869 HydrophobicContact CD2-CG2 4.32Å |
| 791 | S | 78.5 | Confident | 83 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.7 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | L719 H720 L787 E788 A789 | L719-S791 VanDerWaalsContact CD2-CB 3.47Å; H720-S791 PolarHBondContact CE1-OG 3.12Å; H720-S791 PolarHBondContact NE2-OG 2.97Å; L787-S791 PolarHBondContact O-N 3.12Å; E788-S791 PolarHBondContact O-N 3.1Å; A789-S791 VanDerWaalsContact C-N 3.34Å; A789-S791 PolarHBondContact O-N 3.17Å |
| 792 | R | 83 | Confident | 83.1 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.6 | -53.5 | 179.8 | -65.4 | 172.7 | -171 | 136 | 14.3 | 110.6 | E788 A789 R794 K795 D796 | E788-R792 WeakPolarHBondContact O-CG 3.44Å; E788-R792 PolarHBondContact O-N 3.22Å; E788-R792 IonicContact OE2-CZ 3.82Å; E788-R792 IonicContact OE2-NH1 3.94Å; E788-R792 IonicContact OE2-NH2 2.75Å; E788-R792 PolarHBondContact OE2-NH2 3.25Å; A789-R792 PolarHBondContact O-N 3.31Å; R792-R794 VanDerWaalsContact C-N 3.35Å; R792-R794 PolarHBondContact O-N 2.9Å; R792-K795 WeakPolarHBondContact O-CB 3.38Å; R792-K795 PolarHBondContact O-N 3.3Å; R792-D796 PolarHBondContact O-N 3.46Å |
| 793 | G | 78.3 | Confident | 83.3 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -38.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | A789 | A789-G793 PolarHBondContact O-N 2.9Å; A789-G793 VanDerWaalsContact O-N 3.1Å |
| 794 | R | 76.7 | Confident | 83.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 5% | 0.053 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 173.7 | -73 | -169.1 | -172.8 | 149.3 | 3.9 | 112.2 | V714 L790 R792 F798 T869 | V714-R794 PolarHBondContact O-NH1 2.89Å; V714-R794 PolarHBondContact O-NH2 3.23Å; L790-R794 PolarHBondContact O-N 3.38Å; R792-R794 VanDerWaalsContact C-N 3.35Å; R792-R794 PolarHBondContact O-N 2.9Å; R794-F798 WeakPolarHBondContact O-CD2 3.47Å; R794-F798 PolarHBondContact O-N 3.41Å; R794-T869 PolarHBondContact NH2-O 3.16Å |
| 795 | K | 81.1 | Confident | 83.9 | Confident | 150 Ų | 150 | 59.8 Ų | 59.8 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | -174.3 | -172 | -163.9 | 173.8 | -162 | 0 | 111.8 | R792 F797 F798 S799 | R792-K795 WeakPolarHBondContact O-CB 3.38Å; R792-K795 PolarHBondContact O-N 3.3Å; K795-F797 VanDerWaalsContact C-N 3.34Å; K795-F797 PolarHBondContact O-N 3.31Å; K795-F798 PolarHBondContact O-N 3.22Å; K795-S799 PolarHBondContact O-N 2.66Å |
| 796 | D | 82.4 | Confident | 84.3 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | -172.7 | -57.2 | -26.6 | 0 | 0 | 0 | 110.9 | R792 A800 | R792-D796 PolarHBondContact O-N 3.46Å; D796-A800 PolarHBondContact O-N 2.75Å |
| 797 | F | 85.1 | Confident | 84.8 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 4% | 0.044 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 173.6 | 170.6 | -95.7 | 0 | 0 | 0 | 113.2 | K795 S799 A800 F801 L858 T861 A862 L865 F878 | K795-F797 VanDerWaalsContact C-N 3.34Å; K795-F797 PolarHBondContact O-N 3.31Å; F797-S799 VanDerWaalsContact C-N 3.26Å; F797-S799 PolarHBondContact O-N 2.85Å; F797-A800 PolarHBondContact O-N 2.88Å; F797-F801 HydrophobicContact CE1-CB 4.17Å; F797-F801 HydrophobicContact CE1-CG 4.48Å; F797-F801 HydrophobicContact CZ-CB 4.06Å; F797-F801 HydrophobicContact CZ-CD2 4.1Å; F797-F801 HydrophobicContact CZ-CG 4.28Å; F797-F801 PolarHBondContact O-N 2.78Å; F797-L858 HydrophobicContact CD2-CD2 4.32Å; F797-L858 HydrophobicContact CE2-CD2 3.9Å; F797-T861 HydrophobicContact CB-CG2 4.32Å; F797-T861 HydrophobicContact CD2-CG2 3.48Å; F797-T861 VanDerWaalsContact CD2-CG2 3.48Å; F797-T861 HydrophobicContact CE2-CG2 4.24Å; F797-T861 HydrophobicContact CG-CG2 4.17Å; F797-A862 HydrophobicContact CE2-CB 4.04Å; F797-A862 HydrophobicContact CZ-CB 3.79Å; F797-L865 HydrophobicContact CB-CD1 3.88Å; F797-L865 HydrophobicContact CD1-CD1 3.42Å; F797-L865 VanDerWaalsContact CD1-CD1 3.42Å; F797-L865 HydrophobicContact CD2-CD1 4.07Å; F797-L865 HydrophobicContact CE1-CD1 4.04Å; F797-L865 HydrophobicContact CG-CD1 3.46Å; F797-L865 VanDerWaalsContact CG-CD1 3.46Å; F797-F878 HydrophobicContact CD1-CZ 4.47Å; F797-F878 HydrophobicContact CE1-CE1 4.42Å; F797-F878 AromaticContact CE1-CE2 3.62Å; F797-F878 HydrophobicContact CE1-CE2 3.62Å; F797-F878 AromaticContact CE1-CZ 3.35Å; F797-F878 HydrophobicContact CE1-CZ 3.35Å; F797-F878 AromaticContact CZ-CE2 3.93Å; F797-F878 HydrophobicContact CZ-CE2 3.93Å; F797-F878 AromaticContact CZ-CZ 3.52Å; F797-F878 HydrophobicContact CZ-CZ 3.52Å |
| 798 | F | 83.6 | Confident | 85.4 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -28.5 | -176.4 | -78.8 | -64.6 | 0 | 0 | 0 | 113 | R794 K795 Q802 F878 | R794-F798 WeakPolarHBondContact O-CD2 3.47Å; R794-F798 PolarHBondContact O-N 3.41Å; K795-F798 PolarHBondContact O-N 3.22Å; F798-Q802 WeakPolarHBondContact O-CB 3.42Å; F798-Q802 PolarHBondContact O-N 2.93Å; F798-Q802 VanDerWaalsContact O-N 3.15Å; F798-F878 HydrophobicContact CE1-CD2 4.23Å; F798-F878 HydrophobicContact CE1-CE2 4.24Å |
| 799 | S | 86.8 | Confident | 85.9 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -52 | 172.1 | -156.3 | 0 | 0 | 0 | 0 | 111 | K795 F797 F801 Q802 E803 | K795-S799 PolarHBondContact O-N 2.66Å; F797-S799 VanDerWaalsContact C-N 3.26Å; F797-S799 PolarHBondContact O-N 2.85Å; S799-F801 VanDerWaalsContact C-N 3.33Å; S799-F801 PolarHBondContact O-N 2.97Å; S799-Q802 PolarHBondContact O-N 3Å; S799-Q802 VanDerWaalsContact O-N 3.13Å; S799-E803 WeakPolarHBondContact O-CG 3.48Å; S799-E803 PolarHBondContact O-N 3.02Å; S799-E803 PolarHBondContact OG-OE1 3.03Å |
| 800 | A | 87.4 | Confident | 86.5 | Confident | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D796 F797 Q802 E803 F804 L858 | D796-A800 PolarHBondContact O-N 2.75Å; F797-A800 PolarHBondContact O-N 2.88Å; A800-Q802 PolarHBondContact O-N 3.41Å; A800-E803 PolarHBondContact O-N 3.26Å; A800-F804 WeakPolarHBondContact O-CB 3.33Å; A800-F804 PolarHBondContact O-N 2.73Å; A800-L858 HydrophobicContact CB-CD2 3.79Å |
| 801 | F | 88.6 | Confident | 87.2 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 175.1 | -176 | -101.9 | 0 | 0 | 0 | 112.8 | F797 S799 N805 L858 E881 L885 | F797-F801 HydrophobicContact CE1-CB 4.17Å; F797-F801 HydrophobicContact CE1-CG 4.48Å; F797-F801 HydrophobicContact CZ-CB 4.06Å; F797-F801 HydrophobicContact CZ-CD2 4.1Å; F797-F801 HydrophobicContact CZ-CG 4.28Å; F797-F801 PolarHBondContact O-N 2.78Å; S799-F801 VanDerWaalsContact C-N 3.33Å; S799-F801 PolarHBondContact O-N 2.97Å; F801-N805 PolarHBondContact O-N 3.44Å; F801-N805 PolarHBondContact O-ND2 2.94Å; F801-L858 HydrophobicContact CB-CD2 4.35Å; F801-E881 HydrophobicContact CE1-CB 4.23Å; F801-E881 HydrophobicContact CZ-CB 3.95Å; F801-L885 HydrophobicContact CD2-CD2 4Å; F801-L885 HydrophobicContact CE2-CB 4.4Å; F801-L885 HydrophobicContact CE2-CD2 3.59Å; F801-L885 HydrophobicContact CZ-CD2 4.47Å |
| 802 | Q | 88.6 | Confident | 87.9 | Confident | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -72.7 | -36 | 177.8 | -168.7 | -174.2 | -8.3 | 0 | 0 | 112.5 | F798 S799 A800 Q806 | F798-Q802 WeakPolarHBondContact O-CB 3.42Å; F798-Q802 PolarHBondContact O-N 2.93Å; F798-Q802 VanDerWaalsContact O-N 3.15Å; S799-Q802 PolarHBondContact O-N 3Å; S799-Q802 VanDerWaalsContact O-N 3.13Å; A800-Q802 PolarHBondContact O-N 3.41Å; Q802-Q806 WeakPolarHBondContact O-CG 3.48Å; Q802-Q806 PolarHBondContact O-N 3.15Å; Q802-Q806 PolarHBondContact O-NE2 2.88Å |
| 803 | E | 89.7 | Confident | 88.3 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 178.6 | -72.9 | 166.3 | -134.7 | 0 | 0 | 111.5 | S799 A800 N805 Q806 W807 | S799-E803 WeakPolarHBondContact O-CG 3.48Å; S799-E803 PolarHBondContact O-N 3.02Å; S799-E803 PolarHBondContact OG-OE1 3.03Å; A800-E803 PolarHBondContact O-N 3.26Å; E803-N805 PolarHBondContact O-N 2.84Å; E803-Q806 WeakPolarHBondContact O-CB 3.19Å; E803-Q806 PolarHBondContact O-N 2.89Å; E803-Q806 VanDerWaalsContact O-N 3.17Å; E803-W807 PolarHBondContact O-N 3.27Å |
| 804 | F | 92.8 | Very high | 89 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 178.4 | -176.3 | -90 | 0 | 0 | 0 | 112.6 | A800 Q806 W807 L808 H851 V854 F855 L858 L885 W889 | A800-F804 WeakPolarHBondContact O-CB 3.33Å; A800-F804 PolarHBondContact O-N 2.73Å; F804-Q806 VanDerWaalsContact C-N 3.27Å; F804-Q806 PolarHBondContact O-N 3.19Å; F804-W807 HydrophobicContact CD2-CE3 4.31Å; F804-W807 HydrophobicContact CE2-CE3 4.05Å; F804-W807 AromaticContact CE2-CZ3 3.98Å; F804-W807 HydrophobicContact CE2-CZ3 3.98Å; F804-W807 HydrophobicContact CZ-CE3 4.3Å; F804-W807 AromaticContact CZ-CZ3 3.98Å; F804-W807 HydrophobicContact CZ-CZ3 3.98Å; F804-W807 PolarHBondContact O-N 2.79Å; F804-W807 VanDerWaalsContact O-N 3.12Å; F804-L808 HydrophobicContact CE1-CD2 4.47Å; F804-L808 PolarHBondContact O-N 3.45Å; F804-H851 HydrophobicContact CE2-CB 4.15Å; F804-V854 HydrophobicContact CD2-CB 4.14Å; F804-V854 HydrophobicContact CD2-CG1 3.78Å; F804-V854 HydrophobicContact CE2-CB 4.25Å; F804-V854 HydrophobicContact CE2-CG1 4.37Å; F804-F855 HydrophobicContact CE1-CB 4.44Å; F804-F855 AromaticContact CE1-CD2 3.95Å; F804-F855 HydrophobicContact CE1-CD2 3.95Å; F804-F855 HydrophobicContact CE2-CB 3.99Å; F804-F855 HydrophobicContact CZ-CB 3.63Å; F804-F855 AromaticContact CZ-CD2 3.92Å; F804-F855 HydrophobicContact CZ-CD2 3.92Å; F804-F855 HydrophobicContact CZ-CG 4.2Å; F804-L858 HydrophobicContact CB-CD1 3.43Å; F804-L858 VanDerWaalsContact CB-CD1 3.43Å; F804-L858 HydrophobicContact CD1-CD1 4.04Å; F804-L858 HydrophobicContact CD2-CD1 3.99Å; F804-L858 HydrophobicContact CG-CD1 3.55Å; F804-L885 HydrophobicContact CD1-CD1 3.82Å; F804-L885 HydrophobicContact CD1-CD2 3.89Å; F804-L885 HydrophobicContact CD1-CG 4.3Å; F804-L885 HydrophobicContact CE1-CD1 3.82Å; F804-L885 HydrophobicContact CE1-CD2 4.11Å; F804-L885 HydrophobicContact CE1-CG 4.18Å; F804-W889 HydrophobicContact CE1-CE3 4.5Å; F804-W889 HydrophobicContact CE2-CZ3 4.46Å; F804-W889 AromaticContact CZ-CE3 3.78Å; F804-W889 HydrophobicContact CZ-CE3 3.78Å; F804-W889 AromaticContact CZ-CZ3 3.89Å; F804-W889 HydrophobicContact CZ-CZ3 3.89Å |
| 805 | N | 90.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.5 | -38.4 | 173.7 | -96 | -77.4 | 0 | 0 | 0 | 113 | F801 E803 T809 R888 | F801-N805 PolarHBondContact O-N 3.44Å; F801-N805 PolarHBondContact O-ND2 2.94Å; E803-N805 PolarHBondContact O-N 2.84Å; N805-T809 PolarHBondContact O-N 2.98Å; N805-T809 PolarHBondContact O-OG1 3.07Å; N805-R888 PolarHBondContact OD1-NH1 3.36Å |
| 806 | Q | 92 | Very high | 90.2 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.1 | -27.5 | 178.4 | -73 | 171.8 | 72.8 | 0 | 0 | 113.5 | Q802 E803 F804 R810 | Q802-Q806 WeakPolarHBondContact O-CG 3.48Å; Q802-Q806 PolarHBondContact O-N 3.15Å; Q802-Q806 PolarHBondContact O-NE2 2.88Å; E803-Q806 WeakPolarHBondContact O-CB 3.19Å; E803-Q806 PolarHBondContact O-N 2.89Å; E803-Q806 VanDerWaalsContact O-N 3.17Å; F804-Q806 VanDerWaalsContact C-N 3.27Å; F804-Q806 PolarHBondContact O-N 3.19Å; Q806-R810 PolarHBondContact O-NE 2.97Å |
| 807 | W | 94.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 57 Ų | 57 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.6 | -48.5 | 173.9 | 166 | 83.5 | 0 | 0 | 0 | 111.1 | E803 F804 T809 R810 M811 E847 I848 H851 W889 | E803-W807 PolarHBondContact O-N 3.27Å; F804-W807 HydrophobicContact CD2-CE3 4.31Å; F804-W807 HydrophobicContact CE2-CE3 4.05Å; F804-W807 AromaticContact CE2-CZ3 3.98Å; F804-W807 HydrophobicContact CE2-CZ3 3.98Å; F804-W807 HydrophobicContact CZ-CE3 4.3Å; F804-W807 AromaticContact CZ-CZ3 3.98Å; F804-W807 HydrophobicContact CZ-CZ3 3.98Å; F804-W807 PolarHBondContact O-N 2.79Å; F804-W807 VanDerWaalsContact O-N 3.12Å; W807-T809 PolarHBondContact O-N 2.89Å; W807-R810 WeakPolarHBondContact O-CB 3.43Å; W807-R810 PolarHBondContact O-N 3.39Å; W807-M811 HydrophobicContact CD2-CG 4.39Å; W807-M811 HydrophobicContact CH2-CG 4Å; W807-M811 HydrophobicContact CZ2-CG 3.39Å; W807-M811 HydrophobicContact CZ2-SD 4.33Å; W807-M811 PolarHBondContact O-N 3.27Å; W807-E847 HydrophobicContact CZ2-CB 4.36Å; W807-E847 WeakPolarHBondContact CZ2-O 3.27Å; W807-E847 PolarHBondContact NE1-OE2 3.46Å; W807-I848 HydrophobicContact CH2-CG1 4.49Å; W807-H851 AromaticContact CD1-CE1 3.8Å; W807-H851 AromaticContact CD1-NE2 3.88Å; W807-H851 HydrophobicContact CD2-CB 4.45Å; W807-H851 AromaticContact CD2-CD2 3.79Å; W807-H851 AromaticContact CD2-CG 3.85Å; W807-H851 AromaticContact CD2-NE2 3.94Å; W807-H851 AromaticContact CE2-CD2 3.95Å; W807-H851 AromaticContact CE2-CE1 3.56Å; W807-H851 AromaticContact CE2-CG 3.6Å; W807-H851 AromaticContact CE2-ND1 3.35Å; W807-H851 AromaticContact CE2-NE2 3.94Å; W807-H851 HydrophobicContact CE3-CB 4.17Å; W807-H851 AromaticContact CG-NE2 3.96Å; W807-H851 HydrophobicContact CH2-CB 3.51Å; W807-H851 AromaticContact CH2-CG 3.83Å; W807-H851 HydrophobicContact CZ2-CB 3.77Å; W807-H851 AromaticContact CZ2-CG 3.58Å; W807-H851 AromaticContact CZ2-ND1 3.39Å; W807-H851 WeakPolarHBondContact CZ2-ND1 3.33Å; W807-H851 HydrophobicContact CZ3-CB 3.73Å; W807-H851 AromaticContact NE1-CE1 3.36Å; W807-H851 PolarHBondContact NE1-CE1 3.01Å; W807-H851 AromaticContact NE1-ND1 3.61Å; W807-H851 AromaticContact NE1-NE2 3.86Å; W807-W889 HydrophobicContact CH2-CH2 4.48Å; W807-W889 AromaticContact CH2-CZ3 3.72Å; W807-W889 HydrophobicContact CH2-CZ3 3.72Å; W807-W889 HydrophobicContact CZ3-CE3 4.31Å; W807-W889 AromaticContact CZ3-CZ3 3.68Å; W807-W889 HydrophobicContact CZ3-CZ3 3.68Å |
| 808 | L | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -40.1 | -179.3 | -179.3 | 59.9 | 0 | 0 | 0 | 112.1 | F804 R810 M811 E812 L885 R888 W889 A892 | F804-L808 HydrophobicContact CE1-CD2 4.47Å; F804-L808 PolarHBondContact O-N 3.45Å; L808-R810 PolarHBondContact O-N 3.03Å; L808-R810 VanDerWaalsContact O-N 3.17Å; L808-M811 PolarHBondContact O-N 3.42Å; L808-M811 VanDerWaalsContact O-N 3.15Å; L808-E812 WeakPolarHBondContact O-CG 3.21Å; L808-E812 PolarHBondContact O-N 2.81Å; L808-L885 HydrophobicContact CD2-CD1 3.73Å; L808-R888 HydrophobicContact CD2-CB 3.71Å; L808-W889 HydrophobicContact CD1-CE3 4.32Å; L808-A892 HydrophobicContact CD1-CB 4.11Å |
| 809 | T | 92.7 | Very high | 91.4 | Very high | 77 Ų | 77 | 55 Ų | 55 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -24.9 | 176.9 | -49.5 | 0 | 0 | 0 | 0 | 113.7 | N805 W807 E812 R888 | N805-T809 PolarHBondContact O-N 2.98Å; N805-T809 PolarHBondContact O-OG1 3.07Å; W807-T809 PolarHBondContact O-N 2.89Å; T809-E812 WeakPolarHBondContact CA-OE2 3.13Å; T809-R888 PolarHBondContact OG1-NH2 3.41Å |
| 810 | R | 93 | Very high | 91.6 | Very high | 138 Ų | 138 | 55.9 Ų | 55.9 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -81.2 | -43.1 | 175.6 | -56.8 | 172.8 | -144.8 | 150.6 | 4.5 | 111.1 | Q806 W807 L808 E812 G813 H814 | Q806-R810 PolarHBondContact O-NE 2.97Å; W807-R810 WeakPolarHBondContact O-CB 3.43Å; W807-R810 PolarHBondContact O-N 3.39Å; L808-R810 PolarHBondContact O-N 3.03Å; L808-R810 VanDerWaalsContact O-N 3.17Å; R810-E812 PolarHBondContact O-N 2.99Å; R810-G813 PolarHBondContact O-N 3.28Å; R810-G813 VanDerWaalsContact O-N 3.12Å; R810-H814 PolarHBondContact O-N 2.87Å; R810-H814 VanDerWaalsContact O-N 3.12Å |
| 811 | M | 92.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 179.4 | -67.1 | -54 | 104.8 | 0 | 0 | 112.1 | W807 L808 G813 H814 L815 V844 E847 | W807-M811 HydrophobicContact CD2-CG 4.39Å; W807-M811 HydrophobicContact CH2-CG 4Å; W807-M811 HydrophobicContact CZ2-CG 3.39Å; W807-M811 HydrophobicContact CZ2-SD 4.33Å; W807-M811 PolarHBondContact O-N 3.27Å; L808-M811 PolarHBondContact O-N 3.42Å; L808-M811 VanDerWaalsContact O-N 3.15Å; M811-G813 PolarHBondContact O-N 3.43Å; M811-H814 WeakPolarHBondContact CE-ND1 3.45Å; M811-H814 PolarHBondContact O-N 3.13Å; M811-H814 VanDerWaalsContact O-N 3.16Å; M811-L815 WeakPolarHBondContact O-CG 3.22Å; M811-L815 PolarHBondContact O-N 2.95Å; M811-V844 HydrophobicContact SD-CG1 4.25Å; M811-E847 VanDerWaalsContact CE-CD 3.4Å; M811-E847 WeakPolarHBondContact CE-OE1 3.42Å; M811-E847 WeakPolarHBondContact CE-OE2 3.3Å; M811-E847 HydrophobicContact SD-CB 3.72Å; M811-E847 HydrophobicContact SD-CG 4.31Å |
| 812 | E | 92.5 | Very high | 91.6 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53 | -40.1 | 172.1 | -72.5 | 170.3 | 153 | 0 | 0 | 112 | L808 T809 R810 Q816 R888 | L808-E812 WeakPolarHBondContact O-CG 3.21Å; L808-E812 PolarHBondContact O-N 2.81Å; T809-E812 WeakPolarHBondContact CA-OE2 3.13Å; R810-E812 PolarHBondContact O-N 2.99Å; E812-Q816 VanDerWaalsContact O-CG 3.29Å; E812-Q816 WeakPolarHBondContact O-CG 3.37Å; E812-Q816 PolarHBondContact O-N 3.24Å; E812-R888 WeakPolarHBondContact OE1-CB 3.37Å; E812-R888 IonicContact OE1-CZ 2.68Å; E812-R888 IonicContact OE1-NE 3.14Å; E812-R888 PolarHBondContact OE1-NE 3.34Å; E812-R888 IonicContact OE1-NH2 2.83Å; E812-R888 PolarHBondContact OE1-NH2 2.7Å; E812-R888 IonicContact OE2-CZ 3.01Å; E812-R888 IonicContact OE2-NE 3.91Å; E812-R888 IonicContact OE2-NH2 2.85Å; E812-R888 PolarHBondContact OE2-NH2 3.25Å |
| 813 | G | 92.1 | Very high | 91.5 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.5 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R810 M811 T817 | R810-G813 PolarHBondContact O-N 3.28Å; R810-G813 VanDerWaalsContact O-N 3.12Å; M811-G813 PolarHBondContact O-N 3.43Å; G813-T817 PolarHBondContact O-N 2.91Å; G813-T817 PolarHBondContact O-OG1 2.97Å |
| 814 | H | 92.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 174.1 | -66.5 | 176.9 | 0 | 0 | 0 | 111.3 | R810 M811 T817 L818 V844 | R810-H814 PolarHBondContact O-N 2.87Å; R810-H814 VanDerWaalsContact O-N 3.12Å; M811-H814 WeakPolarHBondContact CE-ND1 3.45Å; M811-H814 PolarHBondContact O-N 3.13Å; M811-H814 VanDerWaalsContact O-N 3.16Å; H814-T817 WeakPolarHBondContact O-CB 3.32Å; H814-T817 PolarHBondContact O-N 3.25Å; H814-L818 PolarHBondContact O-N 3.1Å; H814-V844 HydrophobicContact CB-CG1 4.3Å; H814-V844 HydrophobicContact CB-CG2 3.76Å |
| 815 | L | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.4 | -70.2 | 167.1 | 0 | 0 | 0 | 112.8 | M811 T817 L818 D819 V844 I848 A892 L895 I899 | M811-L815 WeakPolarHBondContact O-CG 3.22Å; M811-L815 PolarHBondContact O-N 2.95Å; L815-T817 PolarHBondContact O-N 3.48Å; L815-L818 PolarHBondContact O-N 3.29Å; L815-D819 WeakPolarHBondContact O-CB 3.3Å; L815-D819 PolarHBondContact O-N 3.16Å; L815-V844 HydrophobicContact CD2-CG1 3.73Å; L815-V844 HydrophobicContact CG-CG1 3.9Å; L815-I848 HydrophobicContact CD1-CD1 4.2Å; L815-I848 HydrophobicContact CD2-CD1 4.49Å; L815-A892 HydrophobicContact CD1-CB 3.87Å; L815-A892 VanDerWaalsContact CD1-O 3.23Å; L815-A892 WeakPolarHBondContact CD1-O 3.3Å; L815-L895 HydrophobicContact CB-CD2 3.81Å; L815-L895 HydrophobicContact CB-CG 4.19Å; L815-I899 HydrophobicContact CD2-CD1 4Å |
| 816 | Q | 92 | Very high | 89.8 | Confident | 124 Ų | 124 | 59.9 Ų | 59.9 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.1 | -31.8 | 175.7 | -75 | 172.2 | 22.5 | 0 | 0 | 113.1 | E812 S820 | E812-Q816 VanDerWaalsContact O-CG 3.29Å; E812-Q816 WeakPolarHBondContact O-CG 3.37Å; E812-Q816 PolarHBondContact O-N 3.24Å; Q816-S820 PolarHBondContact O-N 3.01Å; Q816-S820 PolarHBondContact O-OG 2.88Å |
| 817 | T | 91.7 | Very high | 89.2 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.9 | -48.2 | 175.7 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | G813 H814 L815 D819 S820 D821 | G813-T817 PolarHBondContact O-N 2.91Å; G813-T817 PolarHBondContact O-OG1 2.97Å; H814-T817 WeakPolarHBondContact O-CB 3.32Å; H814-T817 PolarHBondContact O-N 3.25Å; L815-T817 PolarHBondContact O-N 3.48Å; T817-D819 PolarHBondContact O-N 3Å; T817-S820 WeakPolarHBondContact O-CB 3.47Å; T817-S820 PolarHBondContact O-N 3.39Å; T817-D821 PolarHBondContact O-N 3.16Å; T817-D821 VanDerWaalsContact O-N 3.12Å |
| 818 | L | 91.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.5 | -79.2 | 169 | 0 | 0 | 0 | 113.6 | H814 L815 S820 S822 K840 W841 V844 I899 | H814-L818 PolarHBondContact O-N 3.1Å; L815-L818 PolarHBondContact O-N 3.29Å; L818-S820 VanDerWaalsContact C-N 3.33Å; L818-S822 VanDerWaalsContact O-CB 3.23Å; L818-S822 WeakPolarHBondContact O-CB 3.44Å; L818-S822 PolarHBondContact O-N 3.1Å; L818-S822 PolarHBondContact O-OG 2.93Å; L818-K840 HydrophobicContact CD2-CB 3.64Å; L818-K840 HydrophobicContact CD2-CD 4.31Å; L818-W841 HydrophobicContact CD1-CB 4.2Å; L818-W841 HydrophobicContact CD2-CB 4.41Å; L818-V844 HydrophobicContact CD1-CB 4.23Å; L818-V844 HydrophobicContact CD1-CG2 3.87Å; L818-I899 HydrophobicContact CB-CD1 3.64Å; L818-I899 HydrophobicContact CB-CG1 4.4Å; L818-I899 HydrophobicContact CB-CG2 4.35Å |
| 819 | D | 92.2 | Very high | 87.8 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 174.1 | 179.3 | 56.1 | 0 | 0 | 0 | 111.8 | L815 T817 S822 N823 L895 I899 R902 | L815-D819 WeakPolarHBondContact O-CB 3.3Å; L815-D819 PolarHBondContact O-N 3.16Å; T817-D819 PolarHBondContact O-N 3Å; D819-S822 PolarHBondContact O-OG 2.95Å; D819-N823 PolarHBondContact O-N 3.03Å; D819-N823 PolarHBondContact O-ND2 2.72Å; D819-N823 PolarHBondContact OD1-ND2 2.61Å; D819-L895 HydrophobicContact CB-CD1 4.09Å; D819-I899 HydrophobicContact CB-CD1 4.42Å; D819-I899 HydrophobicContact CB-CG1 4.39Å; D819-R902 PolarHBondContact O-NH1 2.63Å; D819-R902 IonicContact OD1-CZ 2.76Å; D819-R902 IonicContact OD1-NH1 3.22Å; D819-R902 PolarHBondContact OD1-NH1 2.65Å; D819-R902 IonicContact OD1-NH2 3.79Å; D819-R902 PolarHBondContact OD1-NH2 2.94Å |
| 820 | S | 90.7 | Very high | 87 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | Q816 T817 L818 N823 | Q816-S820 PolarHBondContact O-N 3.01Å; Q816-S820 PolarHBondContact O-OG 2.88Å; T817-S820 WeakPolarHBondContact O-CB 3.47Å; T817-S820 PolarHBondContact O-N 3.39Å; L818-S820 VanDerWaalsContact C-N 3.33Å; S820-N823 PolarHBondContact O-N 3.29Å |
| 821 | D | 89.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | -179.9 | -71.5 | -7 | 0 | 0 | 0 | 112 | T817 N823 M824 Y833 L837 K840 | T817-D821 PolarHBondContact O-N 3.16Å; T817-D821 VanDerWaalsContact O-N 3.12Å; D821-N823 VanDerWaalsContact C-N 3.25Å; D821-N823 PolarHBondContact O-N 3.26Å; D821-M824 WeakPolarHBondContact O-CB 3.22Å; D821-M824 WeakPolarHBondContact O-CG 3.17Å; D821-M824 PolarHBondContact O-N 2.68Å; D821-Y833 PolarHBondContact O-OH 2.96Å; D821-Y833 VanDerWaalsContact O-OH 3.14Å; D821-L837 HydrophobicContact CB-CD1 3.79Å; D821-L837 HydrophobicContact CB-CD2 3.53Å; D821-L837 HydrophobicContact CB-CG 4.32Å; D821-K840 IonicContact OD2-NZ 3.42Å |
| 822 | S | 87.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.8 | -8.6 | -177.1 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | L818 D819 M824 L828 R902 | L818-S822 VanDerWaalsContact O-CB 3.23Å; L818-S822 WeakPolarHBondContact O-CB 3.44Å; L818-S822 PolarHBondContact O-N 3.1Å; L818-S822 PolarHBondContact O-OG 2.93Å; D819-S822 PolarHBondContact O-OG 2.95Å; S822-M824 VanDerWaalsContact C-N 3.3Å; S822-L828 WeakPolarHBondContact O-CD1 3.36Å; S822-R902 PolarHBondContact OG-NH1 2.82Å |
| 823 | N | 86.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.5 | 170.3 | -82.2 | -48.9 | 0 | 0 | 0 | 113.6 | D819 S820 D821 T825 R902 | D819-N823 PolarHBondContact O-N 3.03Å; D819-N823 PolarHBondContact O-ND2 2.72Å; D819-N823 PolarHBondContact OD1-ND2 2.61Å; S820-N823 PolarHBondContact O-N 3.29Å; D821-N823 VanDerWaalsContact C-N 3.25Å; D821-N823 PolarHBondContact O-N 3.26Å; N823-T825 VanDerWaalsContact C-N 3.27Å; N823-T825 PolarHBondContact O-N 3.03Å; N823-R902 PolarHBondContact ND2-NH1 3.17Å; N823-R902 VanDerWaalsContact ND2-NH1 3.12Å; N823-R902 PolarHBondContact OD1-NH1 2.86Å |
| 824 | M | 84.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 54 Ų | 54 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -80.6 | 61.9 | -172.8 | -56.7 | -176.6 | 84.5 | 0 | 0 | 113.4 | D821 S822 Q826 L827 L828 Y833 | D821-M824 WeakPolarHBondContact O-CB 3.22Å; D821-M824 WeakPolarHBondContact O-CG 3.17Å; D821-M824 PolarHBondContact O-N 2.68Å; S822-M824 VanDerWaalsContact C-N 3.3Å; M824-Q826 PolarHBondContact O-N 3.47Å; M824-L827 HydrophobicContact CB-CB 4.31Å; M824-L827 HydrophobicContact CB-CD1 4.18Å; M824-L827 HydrophobicContact CE-CD1 3.65Å; M824-L827 PolarHBondContact O-N 3.49Å; M824-L827 HydrophobicContact SD-CD1 4.01Å; M824-L828 PolarHBondContact O-N 3Å; M824-L828 VanDerWaalsContact O-N 3.13Å; M824-Y833 HydrophobicContact CB-CE1 4.41Å; M824-Y833 PolarHBondContact SD-OH 3.25Å; M824-Y833 VanDerWaalsContact SD-OH 3.33Å | ||
| 825 | T | 74.6 | Confident | 84.5 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -22.3 | -169.3 | 53.2 | 0 | 0 | 0 | 0 | 118.3 | N823 | N823-T825 VanDerWaalsContact C-N 3.27Å; N823-T825 PolarHBondContact O-N 3.03Å |
| 826 | Q | 76.9 | Confident | 84.1 | Confident | 117 Ų | 117 | 59.4 Ų | 59.4 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -43.3 | 173.7 | -56.6 | -66.3 | -20.9 | 0 | 0 | 111.6 | M824 L828 K829 | M824-Q826 PolarHBondContact O-N 3.47Å; Q826-L828 PolarHBondContact O-N 3.34Å; Q826-K829 PolarHBondContact O-N 3.11Å; Q826-K829 VanDerWaalsContact O-N 3.1Å |
| 827 | L | 79.5 | Confident | 84 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 45% | 0.445 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -66.1 | -29 | 174.7 | -68.2 | 175.4 | 0 | 0 | 0 | 111.5 | M824 K829 D830 Y833 | M824-L827 HydrophobicContact CB-CB 4.31Å; M824-L827 HydrophobicContact CB-CD1 4.18Å; M824-L827 HydrophobicContact CE-CD1 3.65Å; M824-L827 PolarHBondContact O-N 3.49Å; M824-L827 HydrophobicContact SD-CD1 4.01Å; L827-K829 PolarHBondContact O-N 3.28Å; L827-D830 PolarHBondContact O-N 3.34Å; L827-Y833 HydrophobicContact CB-CD1 3.54Å; L827-Y833 HydrophobicContact CB-CE1 3.58Å; L827-Y833 HydrophobicContact CB-CG 4.11Å; L827-Y833 HydrophobicContact CD1-CE1 4.32Å; L827-Y833 HydrophobicContact CD1-CE2 4.36Å |
| 828 | L | 82.7 | Confident | 84 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.1 | -4.9 | 170.7 | -65.2 | -173.4 | 0 | 0 | 0 | 114.5 | S822 M824 Q826 Y833 R834 L837 L903 A906 | S822-L828 WeakPolarHBondContact O-CD1 3.36Å; M824-L828 PolarHBondContact O-N 3Å; M824-L828 VanDerWaalsContact O-N 3.13Å; Q826-L828 PolarHBondContact O-N 3.34Å; L828-Y833 HydrophobicContact CD2-CD1 4.15Å; L828-Y833 HydrophobicContact CD2-CE1 4.13Å; L828-R834 HydrophobicContact CB-CG 4.39Å; L828-R834 HydrophobicContact CD2-CG 4.22Å; L828-R834 WeakPolarHBondContact O-CD 3.27Å; L828-R834 WeakPolarHBondContact O-CG 3.44Å; L828-R834 PolarHBondContact O-NH1 3.09Å; L828-L837 HydrophobicContact CD2-CD1 4.16Å; L828-L903 HydrophobicContact CD2-CD2 4.07Å; L828-A906 HydrophobicContact CB-CB 3.89Å; L828-A906 HydrophobicContact CD1-CB 3.97Å; L828-A906 HydrophobicContact CG-CB 4.48Å |
| 829 | K | 75.8 | Confident | 83.8 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -77.8 | -26.3 | 166 | -67 | -158.1 | -165.7 | 162.3 | 0 | 113.3 | Q826 L827 V831 R834 S974 Y975 | Q826-K829 PolarHBondContact O-N 3.11Å; Q826-K829 VanDerWaalsContact O-N 3.1Å; L827-K829 PolarHBondContact O-N 3.28Å; K829-V831 PolarHBondContact O-N 2.92Å; K829-R834 PolarHBondContact O-NH1 3.33Å; K829-S974 PolarHBondContact NZ-O 3.35Å; K829-Y975 HydrophobicContact CD-CD2 4.2Å; K829-Y975 HydrophobicContact CD-CE2 4.37Å |
| 830 | D | 76.7 | Confident | 83.7 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -72.5 | 126.9 | 174.6 | -173.5 | 0.8 | 0 | 0 | 0 | 110.7 | L827 A832 R834 S1004 | L827-D830 PolarHBondContact O-N 3.34Å; D830-A832 VanDerWaalsContact C-N 3.29Å; D830-A832 PolarHBondContact O-N 3.37Å; D830-A832 PolarHBondContact OD1-N 3.32Å; D830-R834 PolarHBondContact O-N 2.85Å; D830-R834 VanDerWaalsContact O-N 3.08Å; D830-S1004 WeakPolarHBondContact OD1-CB 3.31Å; D830-S1004 PolarHBondContact OD1-OG 2.63Å |
| 831 | V | 78.2 | Confident | 83.8 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | K829 R835 E1003 S1004 I1007 | K829-V831 PolarHBondContact O-N 2.92Å; V831-R835 WeakPolarHBondContact O-CB 3.23Å; V831-R835 PolarHBondContact O-N 2.9Å; V831-E1003 HydrophobicContact CG1-CG 4.35Å; V831-S1004 PolarHBondContact N-OG 3Å; V831-I1007 HydrophobicContact CG2-CD1 3.93Å |
| 832 | A | 76 | Confident | 83.8 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -47.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D830 R835 E836 A1000 K1001 | D830-A832 VanDerWaalsContact C-N 3.29Å; D830-A832 PolarHBondContact O-N 3.37Å; D830-A832 PolarHBondContact OD1-N 3.32Å; A832-R835 PolarHBondContact O-N 3.04Å; A832-E836 PolarHBondContact O-N 3.16Å; A832-A1000 HydrophobicContact CB-CB 3.64Å; A832-K1001 HydrophobicContact CB-CG 4.49Å |
| 833 | Y | 83.5 | Confident | 83.9 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.8 | -171.2 | -105.4 | 0 | 0 | 0 | 112.2 | D821 M824 L827 L828 R835 E836 L837 | D821-Y833 PolarHBondContact O-OH 2.96Å; D821-Y833 VanDerWaalsContact O-OH 3.14Å; M824-Y833 HydrophobicContact CB-CE1 4.41Å; M824-Y833 PolarHBondContact SD-OH 3.25Å; M824-Y833 VanDerWaalsContact SD-OH 3.33Å; L827-Y833 HydrophobicContact CB-CD1 3.54Å; L827-Y833 HydrophobicContact CB-CE1 3.58Å; L827-Y833 HydrophobicContact CB-CG 4.11Å; L827-Y833 HydrophobicContact CD1-CE1 4.32Å; L827-Y833 HydrophobicContact CD1-CE2 4.36Å; L828-Y833 HydrophobicContact CD2-CD1 4.15Å; L828-Y833 HydrophobicContact CD2-CE1 4.13Å; Y833-R835 VanDerWaalsContact C-N 3.31Å; Y833-R835 PolarHBondContact O-N 3.4Å; Y833-E836 PolarHBondContact O-N 3.44Å; Y833-L837 HydrophobicContact CD1-CD1 4.24Å; Y833-L837 HydrophobicContact CE1-CD1 3.64Å; Y833-L837 HydrophobicContact CE1-CG 4.38Å; Y833-L837 WeakPolarHBondContact O-CG 3.35Å; Y833-L837 PolarHBondContact O-N 2.89Å |
| 834 | R | 88.2 | Confident | 84.1 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 174 | -75.5 | -158.4 | -57 | -72.9 | 1.9 | 112.7 | L828 K829 D830 R838 | L828-R834 HydrophobicContact CB-CG 4.39Å; L828-R834 HydrophobicContact CD2-CG 4.22Å; L828-R834 WeakPolarHBondContact O-CD 3.27Å; L828-R834 WeakPolarHBondContact O-CG 3.44Å; L828-R834 PolarHBondContact O-NH1 3.09Å; K829-R834 PolarHBondContact O-NH1 3.33Å; D830-R834 PolarHBondContact O-N 2.85Å; D830-R834 VanDerWaalsContact O-N 3.08Å; R834-R838 PolarHBondContact O-N 2.81Å |
| 835 | R | 83 | Confident | 84.4 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -48.6 | -178.1 | -172.5 | 176.4 | -61.1 | 161.4 | 2.2 | 111.4 | V831 A832 Y833 L837 R838 D839 | V831-R835 WeakPolarHBondContact O-CB 3.23Å; V831-R835 PolarHBondContact O-N 2.9Å; A832-R835 PolarHBondContact O-N 3.04Å; Y833-R835 VanDerWaalsContact C-N 3.31Å; Y833-R835 PolarHBondContact O-N 3.4Å; R835-L837 VanDerWaalsContact C-N 3.28Å; R835-L837 PolarHBondContact O-N 3.49Å; R835-R838 PolarHBondContact O-N 3.21Å; R835-D839 WeakPolarHBondContact CG-OD2 3.42Å; R835-D839 PolarHBondContact O-N 2.94Å |
| 836 | E | 85.5 | Confident | 85 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.7 | -44 | 177.3 | -167.7 | -166.2 | 137.3 | 0 | 0 | 112 | A832 Y833 K840 | A832-E836 PolarHBondContact O-N 3.16Å; Y833-E836 PolarHBondContact O-N 3.44Å; E836-K840 VanDerWaalsContact O-CG 3.31Å; E836-K840 WeakPolarHBondContact O-CG 3.25Å; E836-K840 PolarHBondContact O-N 2.92Å; E836-K840 VanDerWaalsContact O-N 3.09Å; E836-K840 WeakPolarHBondContact OE1-CE 3.41Å; E836-K840 IonicContact OE1-NZ 2.96Å; E836-K840 PolarHBondContact OE1-NZ 2.83Å |
| 837 | L | 89.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.4 | -37.8 | 177.2 | -59.8 | -170.7 | 0 | 0 | 0 | 113.2 | D821 L828 Y833 R835 D839 K840 W841 L903 | D821-L837 HydrophobicContact CB-CD1 3.79Å; D821-L837 HydrophobicContact CB-CD2 3.53Å; D821-L837 HydrophobicContact CB-CG 4.32Å; L828-L837 HydrophobicContact CD2-CD1 4.16Å; Y833-L837 HydrophobicContact CD1-CD1 4.24Å; Y833-L837 HydrophobicContact CE1-CD1 3.64Å; Y833-L837 HydrophobicContact CE1-CG 4.38Å; Y833-L837 WeakPolarHBondContact O-CG 3.35Å; Y833-L837 PolarHBondContact O-N 2.89Å; R835-L837 VanDerWaalsContact C-N 3.28Å; R835-L837 PolarHBondContact O-N 3.49Å; L837-D839 VanDerWaalsContact C-N 3.34Å; L837-K840 HydrophobicContact CD2-CD 4.22Å; L837-W841 WeakPolarHBondContact O-CB 3.49Å; L837-W841 PolarHBondContact O-N 3.37Å; L837-L903 HydrophobicContact CB-CD1 4.32Å; L837-L903 HydrophobicContact CB-CD2 3.89Å; L837-L903 HydrophobicContact CD1-CD2 4.27Å |
| 838 | R | 90.2 | Very high | 86.2 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 176.6 | -168.4 | -174.5 | -74 | -77 | 11.9 | 111.5 | R834 R835 W841 K842 L903 D904 | R834-R838 PolarHBondContact O-N 2.81Å; R835-R838 PolarHBondContact O-N 3.21Å; R838-W841 PolarHBondContact O-N 2.61Å; R838-K842 WeakPolarHBondContact O-CG 3.47Å; R838-K842 PolarHBondContact O-N 3.11Å; R838-L903 HydrophobicContact CB-CD1 4.25Å; R838-D904 IonicContact CZ-OD1 3.23Å; R838-D904 IonicContact NH1-OD1 3.01Å; R838-D904 PolarHBondContact NH1-OD1 3.23Å; R838-D904 IonicContact NH2-OD1 2.84Å; R838-D904 PolarHBondContact NH2-OD1 2.87Å |
| 839 | D | 87.5 | Confident | 86.4 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77 | -35.4 | -178.5 | -64.2 | -38.7 | 0 | 0 | 0 | 112.4 | R835 L837 W841 K842 G843 | R835-D839 WeakPolarHBondContact CG-OD2 3.42Å; R835-D839 PolarHBondContact O-N 2.94Å; L837-D839 VanDerWaalsContact C-N 3.34Å; D839-W841 VanDerWaalsContact C-N 3.35Å; D839-K842 PolarHBondContact O-N 3.03Å; D839-K842 WeakPolarHBondContact OD1-CE 3.15Å; D839-K842 IonicContact OD1-NZ 3.86Å; D839-K842 PolarHBondContact OD1-NZ 3.27Å; D839-G843 PolarHBondContact O-N 2.72Å |
| 840 | K | 90.1 | Very high | 87 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 164.9 | -72.7 | 171.5 | -172.8 | 166.7 | 0 | 111.7 | L818 D821 E836 L837 G843 V844 | L818-K840 HydrophobicContact CD2-CB 3.64Å; L818-K840 HydrophobicContact CD2-CD 4.31Å; D821-K840 IonicContact OD2-NZ 3.42Å; E836-K840 VanDerWaalsContact O-CG 3.31Å; E836-K840 WeakPolarHBondContact O-CG 3.25Å; E836-K840 PolarHBondContact O-N 2.92Å; E836-K840 VanDerWaalsContact O-N 3.09Å; E836-K840 WeakPolarHBondContact OE1-CE 3.41Å; E836-K840 IonicContact OE1-NZ 2.96Å; E836-K840 PolarHBondContact OE1-NZ 2.83Å; L837-K840 HydrophobicContact CD2-CD 4.22Å; K840-G843 PolarHBondContact O-N 3.35Å; K840-V844 PolarHBondContact O-N 3.11Å |
| 841 | W | 93.6 | Very high | 87.7 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 178.9 | 168.9 | 83.2 | 0 | 0 | 0 | 112.4 | L818 L837 R838 D839 G843 V844 N845 S896 I899 H900 L903 | L818-W841 HydrophobicContact CD1-CB 4.2Å; L818-W841 HydrophobicContact CD2-CB 4.41Å; L837-W841 WeakPolarHBondContact O-CB 3.49Å; L837-W841 PolarHBondContact O-N 3.37Å; R838-W841 PolarHBondContact O-N 2.61Å; D839-W841 VanDerWaalsContact C-N 3.35Å; W841-G843 VanDerWaalsContact C-N 3.27Å; W841-G843 PolarHBondContact O-N 3.08Å; W841-V844 PolarHBondContact O-N 2.8Å; W841-V844 VanDerWaalsContact O-N 3.14Å; W841-N845 HydrophobicContact CH2-CB 4.36Å; W841-N845 HydrophobicContact CZ2-CB 3.94Å; W841-N845 PolarHBondContact O-N 2.64Å; W841-S896 PolarHBondContact NE1-O 3.42Å; W841-S896 PolarHBondContact NE1-OG 3.47Å; W841-I899 HydrophobicContact CG-CG2 4.34Å; W841-H900 AromaticContact CE2-CD2 3.75Å; W841-H900 AromaticContact CE3-CD2 3.83Å; W841-H900 AromaticContact CH2-CD2 3.19Å; W841-H900 WeakPolarHBondContact CH2-CD2 3.35Å; W841-H900 AromaticContact CH2-NE2 3.71Å; W841-H900 HydrophobicContact CZ2-CB 3.9Å; W841-H900 AromaticContact CZ2-CD2 3.36Å; W841-H900 WeakPolarHBondContact CZ2-CD2 3.13Å; W841-H900 AromaticContact CZ2-CG 3.78Å; W841-H900 AromaticContact CZ3-CD2 3.43Å; W841-H900 VanDerWaalsContact CZ3-CD2 3.43Å; W841-H900 WeakPolarHBondContact CZ3-CD2 3.37Å; W841-H900 AromaticContact CZ3-NE2 3.89Å; W841-L903 HydrophobicContact CB-CD1 4.45Å |
| 842 | K | 89.4 | Confident | 88.3 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.8 | -43.2 | 175.9 | -73.9 | 171.5 | -171 | 163.4 | 0 | 112.4 | R838 D839 N845 G846 | R838-K842 WeakPolarHBondContact O-CG 3.47Å; R838-K842 PolarHBondContact O-N 3.11Å; D839-K842 PolarHBondContact O-N 3.03Å; D839-K842 WeakPolarHBondContact OD1-CE 3.15Å; D839-K842 IonicContact OD1-NZ 3.86Å; D839-K842 PolarHBondContact OD1-NZ 3.27Å; K842-N845 PolarHBondContact O-N 2.64Å; K842-G846 PolarHBondContact O-N 2.98Å |
| 843 | G | 89.5 | Confident | 88.8 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | D839 K840 W841 E847 | D839-G843 PolarHBondContact O-N 2.72Å; K840-G843 PolarHBondContact O-N 3.35Å; W841-G843 VanDerWaalsContact C-N 3.27Å; W841-G843 PolarHBondContact O-N 3.08Å; G843-E847 PolarHBondContact O-N 3.1Å |
| 844 | V | 90.7 | Very high | 89.1 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | M811 H814 L815 L818 K840 W841 G846 E847 I848 | M811-V844 HydrophobicContact SD-CG1 4.25Å; H814-V844 HydrophobicContact CB-CG1 4.3Å; H814-V844 HydrophobicContact CB-CG2 3.76Å; L815-V844 HydrophobicContact CD2-CG1 3.73Å; L815-V844 HydrophobicContact CG-CG1 3.9Å; L818-V844 HydrophobicContact CD1-CB 4.23Å; L818-V844 HydrophobicContact CD1-CG2 3.87Å; K840-V844 PolarHBondContact O-N 3.11Å; W841-V844 PolarHBondContact O-N 2.8Å; W841-V844 VanDerWaalsContact O-N 3.14Å; V844-G846 PolarHBondContact O-N 2.76Å; V844-E847 PolarHBondContact O-N 3.35Å; V844-I848 HydrophobicContact CG1-CD1 4.16Å; V844-I848 WeakPolarHBondContact O-CG1 3.25Å; V844-I848 PolarHBondContact O-N 2.7Å |
| 845 | N | 90.7 | Very high | 89.2 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.7 | -148.7 | 77.4 | 0 | 0 | 0 | 111.9 | W841 K842 E847 I848 E849 S896 | W841-N845 HydrophobicContact CH2-CB 4.36Å; W841-N845 HydrophobicContact CZ2-CB 3.94Å; W841-N845 PolarHBondContact O-N 2.64Å; K842-N845 PolarHBondContact O-N 2.64Å; N845-E847 VanDerWaalsContact C-N 3.33Å; N845-E847 PolarHBondContact O-N 3.1Å; N845-I848 WeakPolarHBondContact O-CB 3.48Å; N845-I848 PolarHBondContact O-N 2.94Å; N845-I848 VanDerWaalsContact O-N 3.08Å; N845-E849 PolarHBondContact ND2-OE1 2.71Å; N845-E849 WeakPolarHBondContact O-CG 3.39Å; N845-E849 PolarHBondContact O-N 2.9Å; N845-S896 PolarHBondContact OD1-OG 2.98Å |
| 846 | G | 88.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K842 V844 V850 | K842-G846 PolarHBondContact O-N 2.98Å; V844-G846 PolarHBondContact O-N 2.76Å; G846-V850 VanDerWaalsContact O-CG2 3.32Å; G846-V850 WeakPolarHBondContact O-CG2 3.44Å; G846-V850 PolarHBondContact O-N 3.11Å |
| 847 | E | 90.2 | Very high | 89.6 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 170.3 | -82.9 | -157.3 | -120.7 | 0 | 0 | 112.2 | W807 M811 G843 V844 N845 H851 | W807-E847 HydrophobicContact CZ2-CB 4.36Å; W807-E847 WeakPolarHBondContact CZ2-O 3.27Å; W807-E847 PolarHBondContact NE1-OE2 3.46Å; M811-E847 VanDerWaalsContact CE-CD 3.4Å; M811-E847 WeakPolarHBondContact CE-OE1 3.42Å; M811-E847 WeakPolarHBondContact CE-OE2 3.3Å; M811-E847 HydrophobicContact SD-CB 3.72Å; M811-E847 HydrophobicContact SD-CG 4.31Å; G843-E847 PolarHBondContact O-N 3.1Å; V844-E847 PolarHBondContact O-N 3.35Å; N845-E847 VanDerWaalsContact C-N 3.33Å; N845-E847 PolarHBondContact O-N 3.1Å; E847-H851 PolarHBondContact O-ND1 3.41Å |
| 848 | I | 90.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -49 | 178.9 | -65.3 | 166.7 | 0 | 0 | 0 | 110.7 | W807 L815 V844 N845 V850 H851 E852 W889 T893 | W807-I848 HydrophobicContact CH2-CG1 4.49Å; L815-I848 HydrophobicContact CD1-CD1 4.2Å; L815-I848 HydrophobicContact CD2-CD1 4.49Å; V844-I848 HydrophobicContact CG1-CD1 4.16Å; V844-I848 WeakPolarHBondContact O-CG1 3.25Å; V844-I848 PolarHBondContact O-N 2.7Å; N845-I848 WeakPolarHBondContact O-CB 3.48Å; N845-I848 PolarHBondContact O-N 2.94Å; N845-I848 VanDerWaalsContact O-N 3.08Å; I848-V850 VanDerWaalsContact C-N 3.28Å; I848-V850 PolarHBondContact O-N 2.99Å; I848-H851 PolarHBondContact O-N 3.21Å; I848-E852 PolarHBondContact O-N 3.16Å; I848-W889 HydrophobicContact CG2-CH2 3.92Å; I848-W889 HydrophobicContact CG2-CZ2 4.35Å; I848-T893 HydrophobicContact CG2-CG2 4.04Å |
| 849 | E | 87.9 | Confident | 89.3 | Confident | 128 Ų | 128 | 59.9 Ų | 59.9 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.2 | -39.8 | 178.9 | -74.3 | 171.7 | -151.2 | 0 | 0 | 113 | N845 H851 | N845-E849 PolarHBondContact ND2-OE1 2.71Å; N845-E849 WeakPolarHBondContact O-CG 3.39Å; N845-E849 PolarHBondContact O-N 2.9Å; E849-H851 VanDerWaalsContact C-N 3.29Å; E849-H851 PolarHBondContact O-N 3.06Å |
| 850 | V | 88.4 | Confident | 89.1 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.4 | -31.5 | 178.2 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | G846 I848 | G846-V850 VanDerWaalsContact O-CG2 3.32Å; G846-V850 WeakPolarHBondContact O-CG2 3.44Å; G846-V850 PolarHBondContact O-N 3.11Å; I848-V850 VanDerWaalsContact C-N 3.28Å; I848-V850 PolarHBondContact O-N 2.99Å |
| 851 | H | 91.1 | Very high | 88.8 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -94.4 | -10.5 | -171.7 | -73.6 | 88.5 | 0 | 0 | 0 | 115 | F804 W807 E847 I848 E849 N853 V854 F855 W889 | F804-H851 HydrophobicContact CE2-CB 4.15Å; W807-H851 AromaticContact CD1-CE1 3.8Å; W807-H851 AromaticContact CD1-NE2 3.88Å; W807-H851 HydrophobicContact CD2-CB 4.45Å; W807-H851 AromaticContact CD2-CD2 3.79Å; W807-H851 AromaticContact CD2-CG 3.85Å; W807-H851 AromaticContact CD2-NE2 3.94Å; W807-H851 AromaticContact CE2-CD2 3.95Å; W807-H851 AromaticContact CE2-CE1 3.56Å; W807-H851 AromaticContact CE2-CG 3.6Å; W807-H851 AromaticContact CE2-ND1 3.35Å; W807-H851 AromaticContact CE2-NE2 3.94Å; W807-H851 HydrophobicContact CE3-CB 4.17Å; W807-H851 AromaticContact CG-NE2 3.96Å; W807-H851 HydrophobicContact CH2-CB 3.51Å; W807-H851 AromaticContact CH2-CG 3.83Å; W807-H851 HydrophobicContact CZ2-CB 3.77Å; W807-H851 AromaticContact CZ2-CG 3.58Å; W807-H851 AromaticContact CZ2-ND1 3.39Å; W807-H851 WeakPolarHBondContact CZ2-ND1 3.33Å; W807-H851 HydrophobicContact CZ3-CB 3.73Å; W807-H851 AromaticContact NE1-CE1 3.36Å; W807-H851 PolarHBondContact NE1-CE1 3.01Å; W807-H851 AromaticContact NE1-ND1 3.61Å; W807-H851 AromaticContact NE1-NE2 3.86Å; E847-H851 PolarHBondContact O-ND1 3.41Å; I848-H851 PolarHBondContact O-N 3.21Å; E849-H851 VanDerWaalsContact C-N 3.29Å; E849-H851 PolarHBondContact O-N 3.06Å; H851-N853 VanDerWaalsContact C-N 3.3Å; H851-N853 PolarHBondContact O-N 3.15Å; H851-V854 WeakPolarHBondContact O-CA 3.31Å; H851-V854 WeakPolarHBondContact O-CB 3.48Å; H851-V854 PolarHBondContact O-N 2.95Å; H851-F855 PolarHBondContact O-N 3.26Å; H851-W889 HydrophobicContact CB-CH2 4.47Å; H851-W889 HydrophobicContact CB-CZ3 4.42Å |
| 852 | E | 90.9 | Very high | 88.3 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.9 | -44.9 | 174.8 | -177.6 | 72 | -93.3 | 0 | 0 | 112.1 | I848 V854 F855 Q856 W889 | I848-E852 PolarHBondContact O-N 3.16Å; E852-V854 VanDerWaalsContact C-N 3.25Å; E852-V854 PolarHBondContact O-N 2.88Å; E852-F855 WeakPolarHBondContact O-CB 3.47Å; E852-F855 PolarHBondContact O-N 3.47Å; E852-Q856 PolarHBondContact O-N 3.36Å; E852-W889 HydrophobicContact CB-CH2 4.28Å; E852-W889 HydrophobicContact CB-CZ2 3.98Å; E852-W889 HydrophobicContact CG-CZ2 4.36Å; E852-W889 WeakPolarHBondContact OE1-CZ2 3.44Å; E852-W889 PolarHBondContact OE1-NE1 3.23Å; E852-W889 WeakPolarHBondContact OE2-CZ2 3.33Å |
| 853 | N | 86.6 | Confident | 87.8 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 68% | 0.684 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.4 | -30.9 | 177.6 | -65.6 | -74.9 | 0 | 0 | 0 | 112.9 | H851 S857 | H851-N853 VanDerWaalsContact C-N 3.3Å; H851-N853 PolarHBondContact O-N 3.15Å; N853-S857 WeakPolarHBondContact O-CB 3.5Å; N853-S857 PolarHBondContact O-N 2.94Å |
| 854 | V | 89 | Confident | 87.3 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75.8 | -41.2 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | F804 H851 E852 S857 L858 | F804-V854 HydrophobicContact CD2-CB 4.14Å; F804-V854 HydrophobicContact CD2-CG1 3.78Å; F804-V854 HydrophobicContact CE2-CB 4.25Å; F804-V854 HydrophobicContact CE2-CG1 4.37Å; H851-V854 WeakPolarHBondContact O-CA 3.31Å; H851-V854 WeakPolarHBondContact O-CB 3.48Å; H851-V854 PolarHBondContact O-N 2.95Å; E852-V854 VanDerWaalsContact C-N 3.25Å; E852-V854 PolarHBondContact O-N 2.88Å; V854-S857 PolarHBondContact O-N 2.85Å; V854-L858 HydrophobicContact CG1-CD1 4.17Å; V854-L858 WeakPolarHBondContact O-CB 3.39Å; V854-L858 WeakPolarHBondContact O-CG 3.22Å; V854-L858 PolarHBondContact O-N 3.06Å |
| 855 | F | 91.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -50.7 | 173.8 | 176 | -111 | 0 | 0 | 0 | 111.7 | F804 H851 E852 L858 C859 L885 C886 W889 | F804-F855 HydrophobicContact CE1-CB 4.44Å; F804-F855 AromaticContact CE1-CD2 3.95Å; F804-F855 HydrophobicContact CE1-CD2 3.95Å; F804-F855 HydrophobicContact CE2-CB 3.99Å; F804-F855 HydrophobicContact CZ-CB 3.63Å; F804-F855 AromaticContact CZ-CD2 3.92Å; F804-F855 HydrophobicContact CZ-CD2 3.92Å; F804-F855 HydrophobicContact CZ-CG 4.2Å; H851-F855 PolarHBondContact O-N 3.26Å; E852-F855 WeakPolarHBondContact O-CB 3.47Å; E852-F855 PolarHBondContact O-N 3.47Å; F855-L858 PolarHBondContact O-N 3Å; F855-C859 PolarHBondContact O-N 3.23Å; F855-C859 PolarHBondContact O-SG 2.89Å; F855-L885 HydrophobicContact CE2-CG 4.46Å; F855-C886 HydrophobicContact CZ-CB 4.19Å; F855-W889 HydrophobicContact CB-CD2 4.33Å; F855-W889 HydrophobicContact CB-CE3 4.41Å; F855-W889 HydrophobicContact CB-CZ2 4.5Å; F855-W889 AromaticContact CD1-CD1 3.6Å; F855-W889 HydrophobicContact CD1-CD2 4.09Å; F855-W889 AromaticContact CD1-CE2 3.89Å; F855-W889 AromaticContact CD1-CG 3.97Å; F855-W889 HydrophobicContact CD1-CG 3.97Å; F855-W889 AromaticContact CD1-NE1 3.52Å; F855-W889 HydrophobicContact CD2-CB 4.16Å; F855-W889 HydrophobicContact CD2-CD2 4.15Å; F855-W889 HydrophobicContact CD2-CE3 4.49Å; F855-W889 AromaticContact CD2-CG 3.98Å; F855-W889 HydrophobicContact CD2-CG 3.98Å; F855-W889 HydrophobicContact CE1-CB 4.5Å; F855-W889 AromaticContact CE1-CD1 3.37Å; F855-W889 HydrophobicContact CE1-CD2 4.5Å; F855-W889 AromaticContact CE1-CG 3.91Å; F855-W889 HydrophobicContact CE1-CG 3.91Å; F855-W889 AromaticContact CE1-NE1 3.72Å; F855-W889 HydrophobicContact CE2-CB 3.78Å; F855-W889 AromaticContact CE2-CG 3.91Å; F855-W889 HydrophobicContact CE2-CG 3.91Å; F855-W889 AromaticContact CG-CD2 3.91Å; F855-W889 HydrophobicContact CG-CD2 3.91Å; F855-W889 HydrophobicContact CG-CE3 4.36Å; F855-W889 HydrophobicContact CG-CG 4.02Å; F855-W889 HydrophobicContact CZ-CB 3.98Å; F855-W889 AromaticContact CZ-CD1 3.69Å; F855-W889 AromaticContact CZ-CG 3.87Å; F855-W889 HydrophobicContact CZ-CG 3.87Å |
| 856 | Q | 88.7 | Confident | 85.8 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 178.5 | -177.3 | 57.3 | 49.3 | 0 | 0 | 111.6 | E852 L858 C859 D860 | E852-Q856 PolarHBondContact O-N 3.36Å; Q856-L858 VanDerWaalsContact C-N 3.32Å; Q856-L858 PolarHBondContact O-N 3.41Å; Q856-C859 WeakPolarHBondContact O-CB 3.28Å; Q856-C859 PolarHBondContact O-N 3.32Å; Q856-C859 VanDerWaalsContact O-N 3.11Å; Q856-D860 PolarHBondContact NE2-OD1 3.24Å; Q856-D860 PolarHBondContact NE2-OD2 2.97Å; Q856-D860 PolarHBondContact O-N 3.26Å |
| 857 | S | 86.7 | Confident | 84.9 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 179 | -175 | 0 | 0 | 0 | 0 | 113.1 | N853 V854 T861 | N853-S857 WeakPolarHBondContact O-CB 3.5Å; N853-S857 PolarHBondContact O-N 2.94Å; V854-S857 PolarHBondContact O-N 2.85Å; S857-T861 WeakPolarHBondContact O-CB 3.48Å; S857-T861 PolarHBondContact O-N 2.76Å; S857-T861 PolarHBondContact O-OG1 2.99Å |
| 858 | L | 87.6 | Confident | 83.6 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 172.4 | -77.8 | 170.1 | 0 | 0 | 0 | 111.8 | F797 A800 F801 F804 V854 F855 Q856 T861 A862 | F797-L858 HydrophobicContact CD2-CD2 4.32Å; F797-L858 HydrophobicContact CE2-CD2 3.9Å; A800-L858 HydrophobicContact CB-CD2 3.79Å; F801-L858 HydrophobicContact CB-CD2 4.35Å; F804-L858 HydrophobicContact CB-CD1 3.43Å; F804-L858 VanDerWaalsContact CB-CD1 3.43Å; F804-L858 HydrophobicContact CD1-CD1 4.04Å; F804-L858 HydrophobicContact CD2-CD1 3.99Å; F804-L858 HydrophobicContact CG-CD1 3.55Å; V854-L858 HydrophobicContact CG1-CD1 4.17Å; V854-L858 WeakPolarHBondContact O-CB 3.39Å; V854-L858 WeakPolarHBondContact O-CG 3.22Å; V854-L858 PolarHBondContact O-N 3.06Å; F855-L858 PolarHBondContact O-N 3Å; Q856-L858 VanDerWaalsContact C-N 3.32Å; Q856-L858 PolarHBondContact O-N 3.41Å; L858-T861 PolarHBondContact O-N 3.5Å; L858-A862 WeakPolarHBondContact O-CB 3.48Å; L858-A862 PolarHBondContact O-N 2.89Å |
| 859 | C | 86.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.081 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.1 | -68.5 | 0 | 0 | 0 | 0 | 112 | F855 Q856 T861 A862 N863 | F855-C859 PolarHBondContact O-N 3.23Å; F855-C859 PolarHBondContact O-SG 2.89Å; Q856-C859 WeakPolarHBondContact O-CB 3.28Å; Q856-C859 PolarHBondContact O-N 3.32Å; Q856-C859 VanDerWaalsContact O-N 3.11Å; C859-T861 PolarHBondContact O-N 2.77Å; C859-A862 PolarHBondContact O-N 2.85Å; C859-N863 WeakPolarHBondContact O-CB 3.46Å; C859-N863 VanDerWaalsContact O-CG 3.28Å; C859-N863 PolarHBondContact O-N 3.22Å; C859-N863 PolarHBondContact O-ND2 2.76Å |
| 860 | D | 84.8 | Confident | 80.9 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.5 | -68.3 | -34.1 | 0 | 0 | 0 | 112 | Q856 N863 A864 | Q856-D860 PolarHBondContact NE2-OD1 3.24Å; Q856-D860 PolarHBondContact NE2-OD2 2.97Å; Q856-D860 PolarHBondContact O-N 3.26Å; D860-N863 PolarHBondContact O-N 2.95Å; D860-A864 WeakPolarHBondContact O-CB 3.44Å; D860-A864 PolarHBondContact O-N 3.26Å |
| 861 | T | 82.9 | Confident | 79.7 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | F797 S857 L858 C859 A864 L865 | F797-T861 HydrophobicContact CB-CG2 4.32Å; F797-T861 HydrophobicContact CD2-CG2 3.48Å; F797-T861 VanDerWaalsContact CD2-CG2 3.48Å; F797-T861 HydrophobicContact CE2-CG2 4.24Å; F797-T861 HydrophobicContact CG-CG2 4.17Å; S857-T861 WeakPolarHBondContact O-CB 3.48Å; S857-T861 PolarHBondContact O-N 2.76Å; S857-T861 PolarHBondContact O-OG1 2.99Å; L858-T861 PolarHBondContact O-N 3.5Å; C859-T861 PolarHBondContact O-N 2.77Å; T861-A864 PolarHBondContact O-N 3.43Å; T861-L865 HydrophobicContact CG2-CD1 4.5Å; T861-L865 WeakPolarHBondContact O-CG 3.35Å; T861-L865 PolarHBondContact O-N 2.75Å |
| 862 | A | 82.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F797 L858 C859 A864 L865 L866 F878 L882 | F797-A862 HydrophobicContact CE2-CB 4.04Å; F797-A862 HydrophobicContact CZ-CB 3.79Å; L858-A862 WeakPolarHBondContact O-CB 3.48Å; L858-A862 PolarHBondContact O-N 2.89Å; C859-A862 PolarHBondContact O-N 2.85Å; A862-A864 PolarHBondContact O-N 3.23Å; A862-L865 PolarHBondContact O-N 2.98Å; A862-L866 WeakPolarHBondContact O-CB 3.26Å; A862-L866 VanDerWaalsContact O-CG 3.27Å; A862-L866 WeakPolarHBondContact O-CG 3.36Å; A862-L866 PolarHBondContact O-N 3.25Å; A862-F878 HydrophobicContact CB-CE1 4.05Å; A862-F878 HydrophobicContact CB-CZ 3.62Å; A862-L882 HydrophobicContact CB-CD1 3.74Å; A862-L882 HydrophobicContact CB-CD2 3.76Å; A862-L882 HydrophobicContact CB-CG 4.36Å |
| 863 | N | 80.7 | Confident | 77.1 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.7 | -76.9 | -40.5 | 0 | 0 | 0 | 111.8 | C859 D860 L865 L866 V867 | C859-N863 WeakPolarHBondContact O-CB 3.46Å; C859-N863 VanDerWaalsContact O-CG 3.28Å; C859-N863 PolarHBondContact O-N 3.22Å; C859-N863 PolarHBondContact O-ND2 2.76Å; D860-N863 PolarHBondContact O-N 2.95Å; N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 2.89Å; N863-L866 PolarHBondContact O-N 3.43Å; N863-V867 WeakPolarHBondContact O-CG2 3.38Å; N863-V867 PolarHBondContact O-N 3.07Å |
| 864 | A | 78.8 | Confident | 76.1 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D860 T861 A862 N868 | D860-A864 WeakPolarHBondContact O-CB 3.44Å; D860-A864 PolarHBondContact O-N 3.26Å; T861-A864 PolarHBondContact O-N 3.43Å; A862-A864 PolarHBondContact O-N 3.23Å; A864-N868 PolarHBondContact O-N 3.39Å; A864-N868 PolarHBondContact O-ND2 3.05Å |
| 865 | L | 74 | Confident | 75.3 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -43.9 | 176.3 | -68.3 | 170.8 | 0 | 0 | 0 | 112.1 | F797 T861 A862 N863 V867 N868 T869 I870 | F797-L865 HydrophobicContact CB-CD1 3.88Å; F797-L865 HydrophobicContact CD1-CD1 3.42Å; F797-L865 VanDerWaalsContact CD1-CD1 3.42Å; F797-L865 HydrophobicContact CD2-CD1 4.07Å; F797-L865 HydrophobicContact CE1-CD1 4.04Å; F797-L865 HydrophobicContact CG-CD1 3.46Å; F797-L865 VanDerWaalsContact CG-CD1 3.46Å; T861-L865 HydrophobicContact CG2-CD1 4.5Å; T861-L865 WeakPolarHBondContact O-CG 3.35Å; T861-L865 PolarHBondContact O-N 2.75Å; A862-L865 PolarHBondContact O-N 2.98Å; N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 2.89Å; L865-V867 VanDerWaalsContact C-N 3.29Å; L865-V867 PolarHBondContact O-N 2.74Å; L865-N868 PolarHBondContact O-N 2.8Å; L865-T869 WeakPolarHBondContact CA-OG1 3.28Å; L865-T869 VanDerWaalsContact CD2-OG1 3.26Å; L865-T869 WeakPolarHBondContact CD2-OG1 3.49Å; L865-T869 PolarHBondContact O-N 2.95Å; L865-T869 PolarHBondContact O-OG1 3.05Å; L865-I870 HydrophobicContact CB-CD1 3.82Å; L865-I870 HydrophobicContact CB-CG1 4.25Å; L865-I870 PolarHBondContact O-N 3.37Å |
| 866 | L | 74 | Confident | 74.6 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -31.4 | 177.9 | -80 | 170.8 | 0 | 0 | 0 | 113.9 | A862 N863 K875 F878 Q879 L882 | A862-L866 WeakPolarHBondContact O-CB 3.26Å; A862-L866 VanDerWaalsContact O-CG 3.27Å; A862-L866 WeakPolarHBondContact O-CG 3.36Å; A862-L866 PolarHBondContact O-N 3.25Å; N863-L866 PolarHBondContact O-N 3.43Å; L866-K875 HydrophobicContact CD2-CD 4.46Å; L866-K875 HydrophobicContact CD2-CG 3.86Å; L866-K875 PolarHBondContact O-NZ 2.93Å; L866-F878 HydrophobicContact CD1-CD1 4.42Å; L866-F878 HydrophobicContact CD1-CE1 4.3Å; L866-F878 HydrophobicContact CD2-CD1 3.61Å; L866-F878 HydrophobicContact CD2-CE1 4.15Å; L866-F878 HydrophobicContact CG-CD1 3.82Å; L866-F878 HydrophobicContact CG-CE1 3.82Å; L866-Q879 HydrophobicContact CD1-CG 3.95Å; L866-Q879 HydrophobicContact CD2-CG 3.51Å; L866-Q879 HydrophobicContact CG-CG 4.4Å; L866-L882 HydrophobicContact CD1-CD2 3.79Å |
| 867 | V | 70.9 | Confident | 74.1 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -80.4 | -37.3 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | N863 L865 | N863-V867 WeakPolarHBondContact O-CG2 3.38Å; N863-V867 PolarHBondContact O-N 3.07Å; L865-V867 VanDerWaalsContact C-N 3.29Å; L865-V867 PolarHBondContact O-N 2.74Å |
| 868 | N | 61.9 | Low | 73.8 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -120.8 | -15.7 | -162.6 | -64.2 | -71 | 0 | 0 | 0 | 117.1 | A864 L865 | A864-N868 PolarHBondContact O-N 3.39Å; A864-N868 PolarHBondContact O-ND2 3.05Å; L865-N868 PolarHBondContact O-N 2.8Å |
| 869 | T | 60.9 | Low | 73.5 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 17% | 0.166 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | -4.9 | -161 | 67.4 | 0 | 0 | 0 | 0 | 118.6 | L790 R794 L865 | L790-T869 HydrophobicContact CD2-CG2 4.32Å; R794-T869 PolarHBondContact NH2-O 3.16Å; L865-T869 WeakPolarHBondContact CA-OG1 3.28Å; L865-T869 VanDerWaalsContact CD2-OG1 3.26Å; L865-T869 WeakPolarHBondContact CD2-OG1 3.49Å; L865-T869 PolarHBondContact O-N 2.95Å; L865-T869 PolarHBondContact O-OG1 3.05Å |
| 870 | I | 61.5 | Low | 73.4 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.138 | 38% | 0.38 | C | S | . | . | trans | -105.8 | 143 | -174 | -63.6 | 177.7 | 0 | 0 | 0 | 111 | L865 E874 K875 F878 | L865-I870 HydrophobicContact CB-CD1 3.82Å; L865-I870 HydrophobicContact CB-CG1 4.25Å; L865-I870 PolarHBondContact O-N 3.37Å; I870-E874 HydrophobicContact CG2-CB 3.47Å; I870-E874 VanDerWaalsContact CG2-CB 3.47Å; I870-K875 HydrophobicContact CG2-CB 4.06Å; I870-F878 HydrophobicContact CD1-CD1 3.35Å; I870-F878 HydrophobicContact CD1-CE1 3.64Å; I870-F878 HydrophobicContact CD1-CG 4.29Å | ||
| 871 | C | 62.2 | Low | 73.4 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | trans | -71 | 157.1 | 178.5 | -159.3 | 0 | 0 | 0 | 0 | 111.8 | E873 E874 K875 | C871-E873 VanDerWaalsContact C-N 3.26Å; C871-E873 PolarHBondContact O-N 3.21Å; C871-E874 HydrophobicContact CB-CB 4.38Å; C871-E874 HydrophobicContact CB-CG 4.19Å; C871-E874 VanDerWaalsContact CB-OE2 3.22Å; C871-E874 WeakPolarHBondContact CB-OE2 3.34Å; C871-E874 PolarHBondContact N-OE2 3.26Å; C871-E874 VanDerWaalsContact N-OE2 3.12Å; C871-E874 PolarHBondContact O-N 3.27Å; C871-K875 WeakPolarHBondContact O-CB 3.47Å; C871-K875 PolarHBondContact O-N 3.48Å | ||
| 872 | S | 63.2 | Low | 73.5 | Confident | 88 Ų | 88 | 68.2 Ų | 68.2 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.1 | -32 | -173 | -161.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 873 | E | 64.6 | Low | 73.8 | Confident | 163 Ų | 163 | 74.9 Ų | 74.9 | 76% | 0.762 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75.4 | -52.8 | 177.7 | -63.3 | 170.5 | 162.2 | 0 | 0 | 110.2 | C871 K875 E876 | C871-E873 VanDerWaalsContact C-N 3.26Å; C871-E873 PolarHBondContact O-N 3.21Å; E873-K875 PolarHBondContact O-N 2.89Å; E873-E876 PolarHBondContact O-N 3.4Å |
| 874 | E | 66.3 | Low | 74.2 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.3 | -24.8 | 174 | -63.1 | 170.9 | 154.4 | 0 | 0 | 112.9 | I870 C871 F878 | I870-E874 HydrophobicContact CG2-CB 3.47Å; I870-E874 VanDerWaalsContact CG2-CB 3.47Å; C871-E874 HydrophobicContact CB-CB 4.38Å; C871-E874 HydrophobicContact CB-CG 4.19Å; C871-E874 VanDerWaalsContact CB-OE2 3.22Å; C871-E874 WeakPolarHBondContact CB-OE2 3.34Å; C871-E874 PolarHBondContact N-OE2 3.26Å; C871-E874 VanDerWaalsContact N-OE2 3.12Å; C871-E874 PolarHBondContact O-N 3.27Å; E874-F878 WeakPolarHBondContact O-CB 3.41Å; E874-F878 PolarHBondContact O-N 2.94Å |
| 875 | K | 72.5 | Confident | 74.7 | Confident | 68 Ų | 68 | 72 Ų | 72 | 30% | 0.296 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.8 | -39.9 | -175.4 | 177.4 | 163.1 | 180 | 161.3 | 0 | 113.7 | L866 I870 C871 E873 Q879 | L866-K875 HydrophobicContact CD2-CD 4.46Å; L866-K875 HydrophobicContact CD2-CG 3.86Å; L866-K875 PolarHBondContact O-NZ 2.93Å; I870-K875 HydrophobicContact CG2-CB 4.06Å; C871-K875 WeakPolarHBondContact O-CB 3.47Å; C871-K875 PolarHBondContact O-N 3.48Å; E873-K875 PolarHBondContact O-N 2.89Å; K875-Q879 HydrophobicContact CG-CG 4.45Å; K875-Q879 WeakPolarHBondContact O-CB 3.47Å; K875-Q879 VanDerWaalsContact O-CG 3.27Å; K875-Q879 WeakPolarHBondContact O-CG 3.49Å; K875-Q879 PolarHBondContact O-N 3.21Å |
| 876 | E | 76.3 | Confident | 75.5 | Confident | 140 Ų | 140 | 73.3 Ų | 73.3 | 65% | 0.654 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.5 | -44.8 | -178.2 | -67.9 | -173.7 | -179.4 | 0 | 0 | 110.9 | E873 Q879 S880 | E873-E876 PolarHBondContact O-N 3.4Å; E876-Q879 PolarHBondContact O-N 2.79Å; E876-S880 PolarHBondContact O-N 3.13Å |
| 877 | D | 77.1 | Confident | 76.3 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.1 | -48.6 | 174 | -72.5 | -27.4 | 0 | 0 | 0 | 111.2 | Q879 S880 E881 | D877-Q879 PolarHBondContact O-N 3.11Å; D877-S880 WeakPolarHBondContact O-CA 3.28Å; D877-S880 VanDerWaalsContact O-CB 3.27Å; D877-S880 WeakPolarHBondContact O-CB 3.26Å; D877-S880 PolarHBondContact O-N 3.38Å; D877-S880 VanDerWaalsContact O-N 3.07Å; D877-E881 PolarHBondContact O-N 3Å |
| 878 | F | 79.9 | Confident | 77.4 | Confident | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.9 | -31.9 | -179.6 | -178.4 | -125.1 | 0 | 0 | 0 | 113.4 | F797 F798 A862 L866 I870 E874 S880 L882 | F797-F878 HydrophobicContact CD1-CZ 4.47Å; F797-F878 HydrophobicContact CE1-CE1 4.42Å; F797-F878 AromaticContact CE1-CE2 3.62Å; F797-F878 HydrophobicContact CE1-CE2 3.62Å; F797-F878 AromaticContact CE1-CZ 3.35Å; F797-F878 HydrophobicContact CE1-CZ 3.35Å; F797-F878 AromaticContact CZ-CE2 3.93Å; F797-F878 HydrophobicContact CZ-CE2 3.93Å; F797-F878 AromaticContact CZ-CZ 3.52Å; F797-F878 HydrophobicContact CZ-CZ 3.52Å; F798-F878 HydrophobicContact CE1-CD2 4.23Å; F798-F878 HydrophobicContact CE1-CE2 4.24Å; A862-F878 HydrophobicContact CB-CE1 4.05Å; A862-F878 HydrophobicContact CB-CZ 3.62Å; L866-F878 HydrophobicContact CD1-CD1 4.42Å; L866-F878 HydrophobicContact CD1-CE1 4.3Å; L866-F878 HydrophobicContact CD2-CD1 3.61Å; L866-F878 HydrophobicContact CD2-CE1 4.15Å; L866-F878 HydrophobicContact CG-CD1 3.82Å; L866-F878 HydrophobicContact CG-CE1 3.82Å; I870-F878 HydrophobicContact CD1-CD1 3.35Å; I870-F878 HydrophobicContact CD1-CE1 3.64Å; I870-F878 HydrophobicContact CD1-CG 4.29Å; E874-F878 WeakPolarHBondContact O-CB 3.41Å; E874-F878 PolarHBondContact O-N 2.94Å; F878-S880 VanDerWaalsContact C-N 3.32Å; F878-L882 WeakPolarHBondContact O-CB 3.49Å; F878-L882 PolarHBondContact O-N 3.05Å |
| 879 | Q | 81.9 | Confident | 78.9 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 169.8 | -77.3 | -174.9 | -44.3 | 0 | 0 | 112 | L866 K875 E876 D877 F883 | L866-Q879 HydrophobicContact CD1-CG 3.95Å; L866-Q879 HydrophobicContact CD2-CG 3.51Å; L866-Q879 HydrophobicContact CG-CG 4.4Å; K875-Q879 HydrophobicContact CG-CG 4.45Å; K875-Q879 WeakPolarHBondContact O-CB 3.47Å; K875-Q879 VanDerWaalsContact O-CG 3.27Å; K875-Q879 WeakPolarHBondContact O-CG 3.49Å; K875-Q879 PolarHBondContact O-N 3.21Å; E876-Q879 PolarHBondContact O-N 2.79Å; D877-Q879 PolarHBondContact O-N 3.11Å; Q879-F883 VanDerWaalsContact O-CB 3.27Å; Q879-F883 WeakPolarHBondContact O-CB 3.48Å; Q879-F883 PolarHBondContact O-N 3.34Å |
| 880 | S | 84.4 | Confident | 80.3 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 56% | 0.559 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.1 | -45.4 | 175.6 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | E876 D877 F878 F883 N884 | E876-S880 PolarHBondContact O-N 3.13Å; D877-S880 WeakPolarHBondContact O-CA 3.28Å; D877-S880 VanDerWaalsContact O-CB 3.27Å; D877-S880 WeakPolarHBondContact O-CB 3.26Å; D877-S880 PolarHBondContact O-N 3.38Å; D877-S880 VanDerWaalsContact O-N 3.07Å; F878-S880 VanDerWaalsContact C-N 3.32Å; S880-F883 PolarHBondContact O-N 3.22Å; S880-N884 WeakPolarHBondContact O-CB 3.45Å; S880-N884 PolarHBondContact O-N 3.41Å |
| 881 | E | 84.8 | Confident | 81.8 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.7 | -68.4 | -167.8 | 160.3 | 0 | 0 | 112.4 | F801 D877 N884 L885 | F801-E881 HydrophobicContact CE1-CB 4.23Å; F801-E881 HydrophobicContact CZ-CB 3.95Å; D877-E881 PolarHBondContact O-N 3Å; E881-N884 PolarHBondContact O-N 3.15Å; E881-L885 PolarHBondContact O-N 3.4Å |
| 882 | L | 85.6 | Confident | 83.2 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.2 | -177 | 65.7 | 0 | 0 | 0 | 111.7 | A862 L866 F878 N884 L885 C886 | A862-L882 HydrophobicContact CB-CD1 3.74Å; A862-L882 HydrophobicContact CB-CD2 3.76Å; A862-L882 HydrophobicContact CB-CG 4.36Å; L866-L882 HydrophobicContact CD1-CD2 3.79Å; F878-L882 WeakPolarHBondContact O-CB 3.49Å; F878-L882 PolarHBondContact O-N 3.05Å; L882-N884 VanDerWaalsContact C-N 3.34Å; L882-N884 PolarHBondContact O-N 3.38Å; L882-L885 PolarHBondContact O-N 3.32Å; L882-C886 PolarHBondContact O-N 3.08Å; L882-C886 PolarHBondContact O-SG 2.91Å |
| 883 | F | 87.5 | Confident | 84.6 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 61% | 0.614 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 176.4 | 179.5 | -94.3 | 0 | 0 | 0 | 111.8 | Q879 S880 L885 C886 Q887 | Q879-F883 VanDerWaalsContact O-CB 3.27Å; Q879-F883 WeakPolarHBondContact O-CB 3.48Å; Q879-F883 PolarHBondContact O-N 3.34Å; S880-F883 PolarHBondContact O-N 3.22Å; F883-L885 VanDerWaalsContact C-N 3.33Å; F883-L885 PolarHBondContact O-N 3.38Å; F883-C886 PolarHBondContact O-N 2.91Å; F883-Q887 WeakPolarHBondContact O-CB 3.15Å; F883-Q887 PolarHBondContact O-N 2.88Å |
| 884 | N | 90 | Very high | 85.9 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175 | -174.7 | -101.6 | 0 | 0 | 0 | 111.9 | S880 E881 L882 Q887 R888 | S880-N884 WeakPolarHBondContact O-CB 3.45Å; S880-N884 PolarHBondContact O-N 3.41Å; E881-N884 PolarHBondContact O-N 3.15Å; L882-N884 VanDerWaalsContact C-N 3.34Å; L882-N884 PolarHBondContact O-N 3.38Å; N884-Q887 PolarHBondContact O-N 3.28Å; N884-R888 WeakPolarHBondContact O-CG 3.39Å; N884-R888 PolarHBondContact O-N 3.24Å; N884-R888 VanDerWaalsContact OD1-CD 3.3Å; N884-R888 WeakPolarHBondContact OD1-CD 3.5Å |
| 885 | L | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 177.3 | -173.7 | 63.2 | 0 | 0 | 0 | 111.8 | F801 F804 L808 F855 E881 L882 F883 Q887 R888 W889 | F801-L885 HydrophobicContact CD2-CD2 4Å; F801-L885 HydrophobicContact CE2-CB 4.4Å; F801-L885 HydrophobicContact CE2-CD2 3.59Å; F801-L885 HydrophobicContact CZ-CD2 4.47Å; F804-L885 HydrophobicContact CD1-CD1 3.82Å; F804-L885 HydrophobicContact CD1-CD2 3.89Å; F804-L885 HydrophobicContact CD1-CG 4.3Å; F804-L885 HydrophobicContact CE1-CD1 3.82Å; F804-L885 HydrophobicContact CE1-CD2 4.11Å; F804-L885 HydrophobicContact CE1-CG 4.18Å; L808-L885 HydrophobicContact CD2-CD1 3.73Å; F855-L885 HydrophobicContact CE2-CG 4.46Å; E881-L885 PolarHBondContact O-N 3.4Å; L882-L885 PolarHBondContact O-N 3.32Å; F883-L885 VanDerWaalsContact C-N 3.33Å; F883-L885 PolarHBondContact O-N 3.38Å; L885-Q887 VanDerWaalsContact C-N 3.31Å; L885-Q887 PolarHBondContact O-N 3.12Å; L885-R888 PolarHBondContact O-N 3Å; L885-W889 PolarHBondContact O-N 3.09Å |
| 886 | C | 90.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 32% | 0.324 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 177.4 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | F855 L882 F883 G890 | F855-C886 HydrophobicContact CZ-CB 4.19Å; L882-C886 PolarHBondContact O-N 3.08Å; L882-C886 PolarHBondContact O-SG 2.91Å; F883-C886 PolarHBondContact O-N 2.91Å; C886-G890 PolarHBondContact O-N 3.21Å; C886-G890 VanDerWaalsContact O-N 3.14Å |
| 887 | Q | 91.5 | Very high | 88.8 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 176 | -174.2 | 179.6 | 31.8 | 0 | 0 | 112.1 | F883 N884 L885 A891 | F883-Q887 WeakPolarHBondContact O-CB 3.15Å; F883-Q887 PolarHBondContact O-N 2.88Å; N884-Q887 PolarHBondContact O-N 3.28Å; L885-Q887 VanDerWaalsContact C-N 3.31Å; L885-Q887 PolarHBondContact O-N 3.12Å; Q887-A891 WeakPolarHBondContact O-CB 3.49Å; Q887-A891 PolarHBondContact O-N 2.88Å; Q887-A891 VanDerWaalsContact O-N 3.16Å |
| 888 | R | 93.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 178.3 | -72.8 | 173.7 | 64.5 | -157.8 | 3.7 | 112.3 | N805 L808 T809 E812 N884 L885 G890 A891 A892 | N805-R888 PolarHBondContact OD1-NH1 3.36Å; L808-R888 HydrophobicContact CD2-CB 3.71Å; T809-R888 PolarHBondContact OG1-NH2 3.41Å; E812-R888 WeakPolarHBondContact OE1-CB 3.37Å; E812-R888 IonicContact OE1-CZ 2.68Å; E812-R888 IonicContact OE1-NE 3.14Å; E812-R888 PolarHBondContact OE1-NE 3.34Å; E812-R888 IonicContact OE1-NH2 2.83Å; E812-R888 PolarHBondContact OE1-NH2 2.7Å; E812-R888 IonicContact OE2-CZ 3.01Å; E812-R888 IonicContact OE2-NE 3.91Å; E812-R888 IonicContact OE2-NH2 2.85Å; E812-R888 PolarHBondContact OE2-NH2 3.25Å; N884-R888 WeakPolarHBondContact O-CG 3.39Å; N884-R888 PolarHBondContact O-N 3.24Å; N884-R888 VanDerWaalsContact OD1-CD 3.3Å; N884-R888 WeakPolarHBondContact OD1-CD 3.5Å; L885-R888 PolarHBondContact O-N 3Å; R888-G890 PolarHBondContact O-N 3.08Å; R888-A891 PolarHBondContact O-N 2.89Å; R888-A891 VanDerWaalsContact O-N 3.17Å; R888-A892 PolarHBondContact O-N 3.47Å |
| 889 | W | 93.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.7 | -54.6 | 173.4 | 179.4 | -105.2 | 0 | 0 | 0 | 111.3 | F804 W807 L808 I848 H851 E852 F855 L885 A891 A892 T893 | F804-W889 HydrophobicContact CE1-CE3 4.5Å; F804-W889 HydrophobicContact CE2-CZ3 4.46Å; F804-W889 AromaticContact CZ-CE3 3.78Å; F804-W889 HydrophobicContact CZ-CE3 3.78Å; F804-W889 AromaticContact CZ-CZ3 3.89Å; F804-W889 HydrophobicContact CZ-CZ3 3.89Å; W807-W889 HydrophobicContact CH2-CH2 4.48Å; W807-W889 AromaticContact CH2-CZ3 3.72Å; W807-W889 HydrophobicContact CH2-CZ3 3.72Å; W807-W889 HydrophobicContact CZ3-CE3 4.31Å; W807-W889 AromaticContact CZ3-CZ3 3.68Å; W807-W889 HydrophobicContact CZ3-CZ3 3.68Å; L808-W889 HydrophobicContact CD1-CE3 4.32Å; I848-W889 HydrophobicContact CG2-CH2 3.92Å; I848-W889 HydrophobicContact CG2-CZ2 4.35Å; H851-W889 HydrophobicContact CB-CH2 4.47Å; H851-W889 HydrophobicContact CB-CZ3 4.42Å; E852-W889 HydrophobicContact CB-CH2 4.28Å; E852-W889 HydrophobicContact CB-CZ2 3.98Å; E852-W889 HydrophobicContact CG-CZ2 4.36Å; E852-W889 WeakPolarHBondContact OE1-CZ2 3.44Å; E852-W889 PolarHBondContact OE1-NE1 3.23Å; E852-W889 WeakPolarHBondContact OE2-CZ2 3.33Å; F855-W889 HydrophobicContact CB-CD2 4.33Å; F855-W889 HydrophobicContact CB-CE3 4.41Å; F855-W889 HydrophobicContact CB-CZ2 4.5Å; F855-W889 AromaticContact CD1-CD1 3.6Å; F855-W889 HydrophobicContact CD1-CD2 4.09Å; F855-W889 AromaticContact CD1-CE2 3.89Å; F855-W889 AromaticContact CD1-CG 3.97Å; F855-W889 HydrophobicContact CD1-CG 3.97Å; F855-W889 AromaticContact CD1-NE1 3.52Å; F855-W889 HydrophobicContact CD2-CB 4.16Å; F855-W889 HydrophobicContact CD2-CD2 4.15Å; F855-W889 HydrophobicContact CD2-CE3 4.49Å; F855-W889 AromaticContact CD2-CG 3.98Å; F855-W889 HydrophobicContact CD2-CG 3.98Å; F855-W889 HydrophobicContact CE1-CB 4.5Å; F855-W889 AromaticContact CE1-CD1 3.37Å; F855-W889 HydrophobicContact CE1-CD2 4.5Å; F855-W889 AromaticContact CE1-CG 3.91Å; F855-W889 HydrophobicContact CE1-CG 3.91Å; F855-W889 AromaticContact CE1-NE1 3.72Å; F855-W889 HydrophobicContact CE2-CB 3.78Å; F855-W889 AromaticContact CE2-CG 3.91Å; F855-W889 HydrophobicContact CE2-CG 3.91Å; F855-W889 AromaticContact CG-CD2 3.91Å; F855-W889 HydrophobicContact CG-CD2 3.91Å; F855-W889 HydrophobicContact CG-CE3 4.36Å; F855-W889 HydrophobicContact CG-CG 4.02Å; F855-W889 HydrophobicContact CZ-CB 3.98Å; F855-W889 AromaticContact CZ-CD1 3.69Å; F855-W889 AromaticContact CZ-CG 3.87Å; F855-W889 HydrophobicContact CZ-CG 3.87Å; L885-W889 PolarHBondContact O-N 3.09Å; W889-A891 PolarHBondContact O-N 3.22Å; W889-A892 PolarHBondContact O-N 3.35Å; W889-A892 VanDerWaalsContact O-N 3.14Å; W889-T893 HydrophobicContact CD2-CG2 4.39Å; W889-T893 HydrophobicContact CZ2-CG2 4.1Å; W889-T893 PolarHBondContact O-N 2.98Å; W889-T893 PolarHBondContact O-OG1 3.24Å |
| 890 | G | 91.5 | Very high | 90.6 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.6 | -17.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C886 R888 K894 | C886-G890 PolarHBondContact O-N 3.21Å; C886-G890 VanDerWaalsContact O-N 3.14Å; R888-G890 PolarHBondContact O-N 3.08Å; G890-K894 WeakPolarHBondContact O-CB 3.2Å |
| 891 | A | 92 | Very high | 90.9 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -83.1 | -38.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q887 R888 W889 L895 | Q887-A891 WeakPolarHBondContact O-CB 3.49Å; Q887-A891 PolarHBondContact O-N 2.88Å; Q887-A891 VanDerWaalsContact O-N 3.16Å; R888-A891 PolarHBondContact O-N 2.89Å; R888-A891 VanDerWaalsContact O-N 3.17Å; W889-A891 PolarHBondContact O-N 3.22Å; A891-L895 WeakPolarHBondContact O-CB 3.37Å; A891-L895 PolarHBondContact O-N 3.09Å |
| 892 | A | 92 | Very high | 91.2 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.3 | -47.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L808 L815 R888 W889 K894 L895 S896 | L808-A892 HydrophobicContact CD1-CB 4.11Å; L815-A892 HydrophobicContact CD1-CB 3.87Å; L815-A892 VanDerWaalsContact CD1-O 3.23Å; L815-A892 WeakPolarHBondContact CD1-O 3.3Å; R888-A892 PolarHBondContact O-N 3.47Å; W889-A892 PolarHBondContact O-N 3.35Å; W889-A892 VanDerWaalsContact O-N 3.14Å; A892-K894 PolarHBondContact O-N 3.39Å; A892-L895 PolarHBondContact O-N 2.92Å; A892-S896 PolarHBondContact O-N 2.72Å |
| 893 | T | 92.7 | Very high | 91.3 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -51.8 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | I848 W889 L895 S896 D897 | I848-T893 HydrophobicContact CG2-CG2 4.04Å; W889-T893 HydrophobicContact CD2-CG2 4.39Å; W889-T893 HydrophobicContact CZ2-CG2 4.1Å; W889-T893 PolarHBondContact O-N 2.98Å; W889-T893 PolarHBondContact O-OG1 3.24Å; T893-L895 VanDerWaalsContact C-N 3.29Å; T893-L895 PolarHBondContact O-N 3.24Å; T893-S896 WeakPolarHBondContact O-CA 3.35Å; T893-S896 WeakPolarHBondContact O-CB 3.43Å; T893-S896 PolarHBondContact O-N 3.03Å; T893-D897 PolarHBondContact O-N 3.49Å |
| 894 | K | 92 | Very high | 91.3 | Very high | 125 Ų | 125 | 47.1 Ų | 47.1 | 54% | 0.543 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57 | -39.4 | 178 | -168.4 | -163.3 | 171.2 | -154 | 0 | 113.1 | G890 A892 S896 D897 D898 | G890-K894 WeakPolarHBondContact O-CB 3.2Å; A892-K894 PolarHBondContact O-N 3.39Å; K894-S896 VanDerWaalsContact C-N 3.27Å; K894-S896 PolarHBondContact O-N 3.01Å; K894-D897 PolarHBondContact O-N 3.02Å; K894-D898 VanDerWaalsContact CE-OD2 3.31Å; K894-D898 WeakPolarHBondContact CE-OD2 2.98Å; K894-D898 IonicContact NZ-OD2 3.73Å; K894-D898 PolarHBondContact O-N 3.43Å |
| 895 | L | 92.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | 178.8 | -174.1 | 56.2 | 0 | 0 | 0 | 111.5 | L815 D819 A891 A892 T893 I899 | L815-L895 HydrophobicContact CB-CD2 3.81Å; L815-L895 HydrophobicContact CB-CG 4.19Å; D819-L895 HydrophobicContact CB-CD1 4.09Å; A891-L895 WeakPolarHBondContact O-CB 3.37Å; A891-L895 PolarHBondContact O-N 3.09Å; A892-L895 PolarHBondContact O-N 2.92Å; T893-L895 VanDerWaalsContact C-N 3.29Å; T893-L895 PolarHBondContact O-N 3.24Å; L895-I899 HydrophobicContact CG-CD1 4.22Å; L895-I899 VanDerWaalsContact O-CD1 3.25Å; L895-I899 WeakPolarHBondContact O-CD1 3.26Å; L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.34Å; L895-I899 VanDerWaalsContact O-N 3.08Å |
| 896 | S | 92.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 171.4 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | W841 N845 A892 T893 K894 I899 H900 | W841-S896 PolarHBondContact NE1-O 3.42Å; W841-S896 PolarHBondContact NE1-OG 3.47Å; N845-S896 PolarHBondContact OD1-OG 2.98Å; A892-S896 PolarHBondContact O-N 2.72Å; T893-S896 WeakPolarHBondContact O-CA 3.35Å; T893-S896 WeakPolarHBondContact O-CB 3.43Å; T893-S896 PolarHBondContact O-N 3.03Å; K894-S896 VanDerWaalsContact C-N 3.27Å; K894-S896 PolarHBondContact O-N 3.01Å; S896-I899 WeakPolarHBondContact O-CB 3.23Å; S896-I899 PolarHBondContact O-N 3.06Å; S896-H900 PolarHBondContact O-N 3.47Å |
| 897 | D | 91.1 | Very high | 90.6 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.9 | -60 | -36.1 | 0 | 0 | 0 | 112 | T893 K894 I899 H900 V901 | T893-D897 PolarHBondContact O-N 3.49Å; K894-D897 PolarHBondContact O-N 3.02Å; D897-I899 PolarHBondContact O-N 3.18Å; D897-H900 PolarHBondContact O-N 3.09Å; D897-H900 VanDerWaalsContact O-N 3.15Å; D897-V901 WeakPolarHBondContact O-CG2 3.43Å; D897-V901 PolarHBondContact O-N 3.45Å |
| 898 | D | 91.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -29.2 | 178.7 | -83.4 | -35.7 | 0 | 0 | 0 | 111.5 | K894 R902 | K894-D898 VanDerWaalsContact CE-OD2 3.31Å; K894-D898 WeakPolarHBondContact CE-OD2 2.98Å; K894-D898 IonicContact NZ-OD2 3.73Å; K894-D898 PolarHBondContact O-N 3.43Å; D898-R902 PolarHBondContact O-NE 2.7Å; D898-R902 PolarHBondContact O-NH2 3Å |
| 899 | I | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.1 | -50.4 | 169.9 | -67.5 | 156.5 | 0 | 0 | 0 | 110.9 | L815 L818 D819 W841 L895 S896 D897 V901 R902 L903 | L815-I899 HydrophobicContact CD2-CD1 4Å; L818-I899 HydrophobicContact CB-CD1 3.64Å; L818-I899 HydrophobicContact CB-CG1 4.4Å; L818-I899 HydrophobicContact CB-CG2 4.35Å; D819-I899 HydrophobicContact CB-CD1 4.42Å; D819-I899 HydrophobicContact CB-CG1 4.39Å; W841-I899 HydrophobicContact CG-CG2 4.34Å; L895-I899 HydrophobicContact CG-CD1 4.22Å; L895-I899 VanDerWaalsContact O-CD1 3.25Å; L895-I899 WeakPolarHBondContact O-CD1 3.26Å; L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.34Å; L895-I899 VanDerWaalsContact O-N 3.08Å; S896-I899 WeakPolarHBondContact O-CB 3.23Å; S896-I899 PolarHBondContact O-N 3.06Å; D897-I899 PolarHBondContact O-N 3.18Å; I899-V901 PolarHBondContact O-N 3.28Å; I899-R902 PolarHBondContact O-N 2.84Å; I899-R902 VanDerWaalsContact O-N 3.11Å; I899-L903 HydrophobicContact CG2-CD1 4.23Å; I899-L903 PolarHBondContact O-N 3.37Å |
| 900 | H | 92 | Very high | 89.4 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 25% | 0.25 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.8 | -50.6 | -177.8 | -172.4 | -101.8 | 0 | 0 | 0 | 112 | W841 S896 D897 R902 L903 D904 | W841-H900 AromaticContact CE2-CD2 3.75Å; W841-H900 AromaticContact CE3-CD2 3.83Å; W841-H900 AromaticContact CH2-CD2 3.19Å; W841-H900 WeakPolarHBondContact CH2-CD2 3.35Å; W841-H900 AromaticContact CH2-NE2 3.71Å; W841-H900 HydrophobicContact CZ2-CB 3.9Å; W841-H900 AromaticContact CZ2-CD2 3.36Å; W841-H900 WeakPolarHBondContact CZ2-CD2 3.13Å; W841-H900 AromaticContact CZ2-CG 3.78Å; W841-H900 AromaticContact CZ3-CD2 3.43Å; W841-H900 VanDerWaalsContact CZ3-CD2 3.43Å; W841-H900 WeakPolarHBondContact CZ3-CD2 3.37Å; W841-H900 AromaticContact CZ3-NE2 3.89Å; S896-H900 PolarHBondContact O-N 3.47Å; D897-H900 PolarHBondContact O-N 3.09Å; D897-H900 VanDerWaalsContact O-N 3.15Å; H900-R902 PolarHBondContact O-N 2.81Å; H900-R902 VanDerWaalsContact O-N 3.16Å; H900-L903 PolarHBondContact O-N 3.26Å; H900-D904 IonicContact CE1-OD1 3.04Å; H900-D904 IonicContact CE1-OD2 3.66Å; H900-D904 PolarHBondContact CE1-OD2 3Å; H900-D904 IonicContact ND1-OD2 3.82Å; H900-D904 PolarHBondContact ND1-OD2 3.37Å; H900-D904 IonicContact NE2-OD1 2.61Å; H900-D904 IonicContact NE2-OD2 2.73Å; H900-D904 PolarHBondContact O-N 3.29Å; H900-D904 VanDerWaalsContact O-N 3.1Å |
| 901 | V | 90.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.1 | -26.2 | -179.5 | 172.4 | 0 | 0 | 0 | 0 | 113 | D897 I899 R905 | D897-V901 WeakPolarHBondContact O-CG2 3.43Å; D897-V901 PolarHBondContact O-N 3.45Å; I899-V901 PolarHBondContact O-N 3.28Å; V901-R905 VanDerWaalsContact CG1-CZ 3.41Å; V901-R905 WeakPolarHBondContact O-CB 3.32Å; V901-R905 WeakPolarHBondContact O-CD 3.28Å; V901-R905 VanDerWaalsContact O-CG 3.22Å; V901-R905 WeakPolarHBondContact O-CG 3.43Å; V901-R905 PolarHBondContact O-N 3.38Å |
| 902 | R | 90.3 | Very high | 89 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.8 | -37.9 | 174.6 | -81.8 | 175.4 | -73.6 | 175.9 | -2.4 | 112.8 | D819 S822 N823 D898 I899 H900 A906 | D819-R902 PolarHBondContact O-NH1 2.63Å; D819-R902 IonicContact OD1-CZ 2.76Å; D819-R902 IonicContact OD1-NH1 3.22Å; D819-R902 PolarHBondContact OD1-NH1 2.65Å; D819-R902 IonicContact OD1-NH2 3.79Å; D819-R902 PolarHBondContact OD1-NH2 2.94Å; S822-R902 PolarHBondContact OG-NH1 2.82Å; N823-R902 PolarHBondContact ND2-NH1 3.17Å; N823-R902 VanDerWaalsContact ND2-NH1 3.12Å; N823-R902 PolarHBondContact OD1-NH1 2.86Å; D898-R902 PolarHBondContact O-NE 2.7Å; D898-R902 PolarHBondContact O-NH2 3Å; I899-R902 PolarHBondContact O-N 2.84Å; I899-R902 VanDerWaalsContact O-N 3.11Å; H900-R902 PolarHBondContact O-N 2.81Å; H900-R902 VanDerWaalsContact O-N 3.16Å; R902-A906 PolarHBondContact O-N 2.88Å |
| 903 | L | 89.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 178.6 | -64 | 176.2 | 0 | 0 | 0 | 111 | L828 L837 R838 W841 I899 H900 A906 Q907 | L828-L903 HydrophobicContact CD2-CD2 4.07Å; L837-L903 HydrophobicContact CB-CD1 4.32Å; L837-L903 HydrophobicContact CB-CD2 3.89Å; L837-L903 HydrophobicContact CD1-CD2 4.27Å; R838-L903 HydrophobicContact CB-CD1 4.25Å; W841-L903 HydrophobicContact CB-CD1 4.45Å; I899-L903 HydrophobicContact CG2-CD1 4.23Å; I899-L903 PolarHBondContact O-N 3.37Å; H900-L903 PolarHBondContact O-N 3.26Å; L903-A906 PolarHBondContact O-N 2.95Å; L903-Q907 PolarHBondContact O-N 2.85Å |
| 904 | D | 86.9 | Confident | 88.7 | Confident | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -50.7 | 175.8 | -70.6 | -11.8 | 0 | 0 | 0 | 112.2 | R838 H900 A906 Q907 E908 | R838-D904 IonicContact CZ-OD1 3.23Å; R838-D904 IonicContact NH1-OD1 3.01Å; R838-D904 PolarHBondContact NH1-OD1 3.23Å; R838-D904 IonicContact NH2-OD1 2.84Å; R838-D904 PolarHBondContact NH2-OD1 2.87Å; H900-D904 IonicContact CE1-OD1 3.04Å; H900-D904 IonicContact CE1-OD2 3.66Å; H900-D904 PolarHBondContact CE1-OD2 3Å; H900-D904 IonicContact ND1-OD2 3.82Å; H900-D904 PolarHBondContact ND1-OD2 3.37Å; H900-D904 IonicContact NE2-OD1 2.61Å; H900-D904 IonicContact NE2-OD2 2.73Å; H900-D904 PolarHBondContact O-N 3.29Å; H900-D904 VanDerWaalsContact O-N 3.1Å; D904-A906 PolarHBondContact O-N 3.42Å; D904-Q907 CarbonylContact O-C 2.72Å; D904-Q907 WeakPolarHBondContact O-CA 3.43Å; D904-Q907 WeakPolarHBondContact O-CB 3.28Å; D904-Q907 PolarHBondContact O-N 3.1Å; D904-E908 WeakPolarHBondContact O-CG 3.44Å; D904-E908 PolarHBondContact O-N 3.43Å |
| 905 | R | 86.2 | Confident | 88.5 | Confident | 143 Ų | 143 | 59.7 Ų | 59.7 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -17.1 | 177.1 | -74 | 174.4 | 178.9 | 164.9 | 3.8 | 114.6 | V901 E908 R909 | V901-R905 VanDerWaalsContact CG1-CZ 3.41Å; V901-R905 WeakPolarHBondContact O-CB 3.32Å; V901-R905 WeakPolarHBondContact O-CD 3.28Å; V901-R905 VanDerWaalsContact O-CG 3.22Å; V901-R905 WeakPolarHBondContact O-CG 3.43Å; V901-R905 PolarHBondContact O-N 3.38Å; R905-E908 WeakPolarHBondContact CA-OE2 3.17Å; R905-R909 VanDerWaalsContact O-CD 3.29Å; R905-R909 WeakPolarHBondContact O-CD 3.34Å; R905-R909 VanDerWaalsContact O-CG 3.31Å; R905-R909 WeakPolarHBondContact O-CG 3.49Å; R905-R909 PolarHBondContact O-NE 3.44Å |
| 906 | A | 83.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 60 Ų | 60 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86 | -24.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L828 R902 L903 D904 | L828-A906 HydrophobicContact CB-CB 3.89Å; L828-A906 HydrophobicContact CD1-CB 3.97Å; L828-A906 HydrophobicContact CG-CB 4.48Å; R902-A906 PolarHBondContact O-N 2.88Å; L903-A906 PolarHBondContact O-N 2.95Å; D904-A906 PolarHBondContact O-N 3.42Å |
| 907 | Q | 84.9 | Confident | 88.5 | Confident | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78.5 | -49.9 | 173.1 | 173.1 | 169.5 | -15.7 | 0 | 0 | 111.5 | L903 D904 R909 W910 E911 | L903-Q907 PolarHBondContact O-N 2.85Å; D904-Q907 CarbonylContact O-C 2.72Å; D904-Q907 WeakPolarHBondContact O-CA 3.43Å; D904-Q907 WeakPolarHBondContact O-CB 3.28Å; D904-Q907 PolarHBondContact O-N 3.1Å; Q907-R909 PolarHBondContact O-N 3.29Å; Q907-W910 PolarHBondContact O-N 3.45Å; Q907-W910 PolarHBondContact O-NE1 3.18Å; Q907-W910 VanDerWaalsContact O-NE1 3.12Å; Q907-E911 WeakPolarHBondContact CG-OE1 3.19Å; Q907-E911 PolarHBondContact NE2-OE1 2.95Å |
| 908 | E | 85.7 | Confident | 88.5 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -48.5 | -33 | 178.9 | -67.7 | 169.8 | 166 | 0 | 0 | 113.8 | D904 R905 W910 E911 R912 | D904-E908 WeakPolarHBondContact O-CG 3.44Å; D904-E908 PolarHBondContact O-N 3.43Å; R905-E908 WeakPolarHBondContact CA-OE2 3.17Å; E908-W910 PolarHBondContact O-N 3.22Å; E908-E911 WeakPolarHBondContact CA-OE2 3.11Å; E908-R912 VanDerWaalsContact O-CB 3.23Å; E908-R912 WeakPolarHBondContact O-CB 3.42Å; E908-R912 PolarHBondContact O-N 3.23Å |
| 909 | R | 83.5 | Confident | 88.5 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 64% | 0.642 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | -173.3 | -75.6 | 171.3 | -178.4 | -177.5 | -0.6 | 114.8 | R905 Q907 | R905-R909 VanDerWaalsContact O-CD 3.29Å; R905-R909 WeakPolarHBondContact O-CD 3.34Å; R905-R909 VanDerWaalsContact O-CG 3.31Å; R905-R909 WeakPolarHBondContact O-CG 3.49Å; R905-R909 PolarHBondContact O-NE 3.44Å; Q907-R909 PolarHBondContact O-N 3.29Å |
| 910 | W | 84.5 | Confident | 88.6 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -87.3 | -37 | 179.1 | 74.1 | -88.7 | 0 | 0 | 0 | 110.6 | Q907 E908 R912 L913 T914 Y975 I1007 M1010 | Q907-W910 PolarHBondContact O-N 3.45Å; Q907-W910 PolarHBondContact O-NE1 3.18Å; Q907-W910 VanDerWaalsContact O-NE1 3.12Å; E908-W910 PolarHBondContact O-N 3.22Å; W910-R912 VanDerWaalsContact C-N 3.33Å; W910-R912 PolarHBondContact O-N 2.92Å; W910-L913 WeakPolarHBondContact O-CB 3.29Å; W910-L913 PolarHBondContact O-N 2.92Å; W910-L913 VanDerWaalsContact O-N 3.08Å; W910-T914 HydrophobicContact CE3-CG2 4.25Å; W910-T914 PolarHBondContact O-N 2.8Å; W910-T914 PolarHBondContact O-OG1 2.75Å; W910-Y975 HydrophobicContact CB-CE2 3.68Å; W910-I1007 HydrophobicContact CD2-CD1 4.14Å; W910-I1007 HydrophobicContact CD2-CG2 4.03Å; W910-I1007 HydrophobicContact CE3-CD1 4Å; W910-I1007 HydrophobicContact CE3-CG1 4.27Å; W910-I1007 HydrophobicContact CE3-CG2 3.56Å; W910-I1007 HydrophobicContact CH2-CD1 3.62Å; W910-I1007 HydrophobicContact CH2-CG1 4.28Å; W910-I1007 HydrophobicContact CZ2-CD1 3.77Å; W910-I1007 HydrophobicContact CZ3-CD1 3.73Å; W910-I1007 HydrophobicContact CZ3-CG1 3.97Å; W910-I1007 HydrophobicContact CZ3-CG2 4.09Å; W910-M1010 HydrophobicContact CZ3-CE 4.15Å |
| 911 | E | 86.5 | Confident | 88.6 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.5 | -64.9 | 163.3 | 168.4 | 0 | 0 | 111.2 | Q907 E908 T914 G915 | Q907-E911 WeakPolarHBondContact CG-OE1 3.19Å; Q907-E911 PolarHBondContact NE2-OE1 2.95Å; E908-E911 WeakPolarHBondContact CA-OE2 3.11Å; E911-T914 WeakPolarHBondContact CA-OG1 3.4Å; E911-T914 PolarHBondContact O-N 3.43Å; E911-T914 PolarHBondContact O-OG1 3.09Å; E911-G915 PolarHBondContact O-N 3.49Å |
| 912 | R | 88.6 | Confident | 88.6 | Confident | 168 Ų | 168 | 59.5 Ų | 59.5 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 171.8 | 176.4 | -178.3 | 159.6 | 136.1 | 7.7 | 112.5 | E908 W910 G915 Q916 | E908-R912 VanDerWaalsContact O-CB 3.23Å; E908-R912 WeakPolarHBondContact O-CB 3.42Å; E908-R912 PolarHBondContact O-N 3.23Å; W910-R912 VanDerWaalsContact C-N 3.33Å; W910-R912 PolarHBondContact O-N 2.92Å; R912-G915 PolarHBondContact O-N 2.67Å; R912-Q916 HydrophobicContact CG-CG 4.39Å; R912-Q916 WeakPolarHBondContact O-CB 3.36Å; R912-Q916 WeakPolarHBondContact O-CG 3.47Å; R912-Q916 PolarHBondContact O-N 2.71Å |
| 913 | L | 89.2 | Confident | 88.8 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | -179.4 | 168.7 | 59.6 | 0 | 0 | 0 | 111.1 | W910 Q916 L917 V968 L971 A972 Y975 I1011 | W910-L913 WeakPolarHBondContact O-CB 3.29Å; W910-L913 PolarHBondContact O-N 2.92Å; W910-L913 VanDerWaalsContact O-N 3.08Å; L913-Q916 PolarHBondContact O-N 2.71Å; L913-L917 HydrophobicContact CD1-CD1 4.12Å; L913-L917 HydrophobicContact CD1-CG 4.38Å; L913-L917 HydrophobicContact CG-CD1 4.3Å; L913-L917 WeakPolarHBondContact O-CG 3.44Å; L913-L917 PolarHBondContact O-N 3.27Å; L913-V968 HydrophobicContact CD1-CG1 4.37Å; L913-L971 HydrophobicContact CD1-CB 4.21Å; L913-L971 HydrophobicContact CD1-CD2 4.07Å; L913-L971 HydrophobicContact CD1-CG 3.98Å; L913-A972 HydrophobicContact CD1-CB 4.28Å; L913-Y975 HydrophobicContact CD2-CD2 4.36Å; L913-Y975 HydrophobicContact CD2-CG 4.12Å; L913-I1011 HydrophobicContact CD2-CD1 4.08Å; L913-I1011 HydrophobicContact CD2-CG1 4.46Å; L913-I1011 HydrophobicContact CD2-CG2 3.94Å |
| 914 | T | 88.3 | Confident | 88.9 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.7 | 49 | 0 | 0 | 0 | 0 | 111.5 | W910 E911 Q916 L917 Q918 M1010 I1011 | W910-T914 HydrophobicContact CE3-CG2 4.25Å; W910-T914 PolarHBondContact O-N 2.8Å; W910-T914 PolarHBondContact O-OG1 2.75Å; E911-T914 WeakPolarHBondContact CA-OG1 3.4Å; E911-T914 PolarHBondContact O-N 3.43Å; E911-T914 PolarHBondContact O-OG1 3.09Å; T914-Q916 PolarHBondContact O-N 3.47Å; T914-L917 PolarHBondContact O-N 2.92Å; T914-Q918 WeakPolarHBondContact O-CG 3.39Å; T914-Q918 PolarHBondContact O-N 2.84Å; T914-M1010 HydrophobicContact CG2-CE 3.61Å; T914-I1011 HydrophobicContact CG2-CD1 4.07Å; T914-I1011 HydrophobicContact CG2-CG1 3.53Å |
| 915 | G | 89 | Confident | 89.1 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E911 R912 L917 Q918 E919 | E911-G915 PolarHBondContact O-N 3.49Å; R912-G915 PolarHBondContact O-N 2.67Å; G915-L917 VanDerWaalsContact C-N 3.33Å; G915-L917 PolarHBondContact O-N 2.82Å; G915-Q918 PolarHBondContact O-N 3.43Å; G915-E919 PolarHBondContact O-N 2.85Å |
| 916 | Q | 91.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -27.9 | 176.4 | -74 | -164.2 | -108.6 | 0 | 0 | 113.6 | R912 L913 T914 L920 V968 | R912-Q916 HydrophobicContact CG-CG 4.39Å; R912-Q916 WeakPolarHBondContact O-CB 3.36Å; R912-Q916 WeakPolarHBondContact O-CG 3.47Å; R912-Q916 PolarHBondContact O-N 2.71Å; L913-Q916 PolarHBondContact O-N 2.71Å; T914-Q916 PolarHBondContact O-N 3.47Å; Q916-L920 WeakPolarHBondContact O-CG 3.35Å; Q916-V968 HydrophobicContact CB-CG1 4.31Å; Q916-V968 HydrophobicContact CB-CG2 4.12Å |
| 917 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.4 | -47.6 | 170.8 | -75.9 | 162.5 | 0 | 0 | 0 | 110.6 | L913 T914 G915 E919 L920 I921 V968 A972 I1011 D1014 L1018 | L913-L917 HydrophobicContact CD1-CD1 4.12Å; L913-L917 HydrophobicContact CD1-CG 4.38Å; L913-L917 HydrophobicContact CG-CD1 4.3Å; L913-L917 WeakPolarHBondContact O-CG 3.44Å; L913-L917 PolarHBondContact O-N 3.27Å; T914-L917 PolarHBondContact O-N 2.92Å; G915-L917 VanDerWaalsContact C-N 3.33Å; G915-L917 PolarHBondContact O-N 2.82Å; L917-E919 PolarHBondContact O-N 3.22Å; L917-L920 PolarHBondContact O-N 3.03Å; L917-I921 WeakPolarHBondContact O-CG1 3.48Å; L917-I921 PolarHBondContact O-N 3.29Å; L917-V968 HydrophobicContact CD2-CG1 3.6Å; L917-V968 HydrophobicContact CG-CG1 3.76Å; L917-A972 HydrophobicContact CD1-CB 4.44Å; L917-I1011 HydrophobicContact CD1-CG2 4.42Å; L917-D1014 HydrophobicContact CB-CB 4.07Å; L917-D1014 HydrophobicContact CD1-CB 4.04Å; L917-D1014 HydrophobicContact CG-CB 4.5Å; L917-L1018 HydrophobicContact CD2-CD2 3.93Å |
| 918 | Q | 92 | Very high | 89.9 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | -179.3 | -71.7 | 170.9 | -12.2 | 0 | 0 | 113.1 | T914 G915 L920 I921 G922 | T914-Q918 WeakPolarHBondContact O-CG 3.39Å; T914-Q918 PolarHBondContact O-N 2.84Å; G915-Q918 PolarHBondContact O-N 3.43Å; Q918-L920 VanDerWaalsContact C-N 3.29Å; Q918-L920 PolarHBondContact O-N 2.84Å; Q918-I921 PolarHBondContact O-N 3.15Å; Q918-G922 PolarHBondContact O-N 2.76Å |
| 919 | E | 91.6 | Very high | 90 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.1 | -38.7 | 175 | -168.6 | -143.7 | 122.8 | 0 | 0 | 112.3 | G915 L917 W923 K961 | G915-E919 PolarHBondContact O-N 2.85Å; L917-E919 PolarHBondContact O-N 3.22Å; E919-W923 WeakPolarHBondContact O-CB 3.39Å; E919-W923 PolarHBondContact O-N 2.9Å; E919-W923 VanDerWaalsContact O-N 3.12Å; E919-K961 IonicContact OE1-NZ 2.93Å; E919-K961 PolarHBondContact OE1-NZ 3.32Å |
| 920 | L | 93.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.8 | -34.3 | -178.1 | -67.7 | 175.2 | 0 | 0 | 0 | 112.5 | Q916 L917 Q918 A924 K961 A964 V965 V968 L1018 | Q916-L920 WeakPolarHBondContact O-CG 3.35Å; L917-L920 PolarHBondContact O-N 3.03Å; Q918-L920 VanDerWaalsContact C-N 3.29Å; Q918-L920 PolarHBondContact O-N 2.84Å; L920-A924 WeakPolarHBondContact O-CB 3.38Å; L920-A924 PolarHBondContact O-N 2.85Å; L920-A924 VanDerWaalsContact O-N 3.11Å; L920-K961 HydrophobicContact CD2-CD 3.87Å; L920-A964 HydrophobicContact CD2-CB 4.32Å; L920-V965 HydrophobicContact CD1-CG2 4.17Å; L920-V965 HydrophobicContact CD2-CG2 4.31Å; L920-V968 HydrophobicContact CD1-CB 3.94Å; L920-V968 HydrophobicContact CD1-CG1 4.33Å; L920-V968 HydrophobicContact CD1-CG2 3.75Å; L920-L1018 HydrophobicContact CB-CD1 3.79Å; L920-L1018 HydrophobicContact CB-CD2 3.8Å; L920-L1018 HydrophobicContact CB-CG 4.49Å; L920-L1018 HydrophobicContact CD1-CD2 4.04Å |
| 921 | I | 92.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -52.3 | 171 | -68 | 166 | 0 | 0 | 0 | 109.7 | L917 Q918 W923 A924 E925 D1014 R1017 L1018 L1021 | L917-I921 WeakPolarHBondContact O-CG1 3.48Å; L917-I921 PolarHBondContact O-N 3.29Å; Q918-I921 PolarHBondContact O-N 3.15Å; I921-W923 PolarHBondContact O-N 3.46Å; I921-A924 PolarHBondContact O-N 3.14Å; I921-A924 VanDerWaalsContact O-N 3.12Å; I921-E925 HydrophobicContact CG2-CG 4.39Å; I921-E925 WeakPolarHBondContact O-CG 3.41Å; I921-E925 PolarHBondContact O-N 3.17Å; I921-D1014 HydrophobicContact CD1-CB 4.09Å; I921-R1017 HydrophobicContact CD1-CG 4.48Å; I921-L1018 HydrophobicContact CD1-CB 4.49Å; I921-L1018 HydrophobicContact CG1-CB 3.95Å; I921-L1018 HydrophobicContact CG1-CD1 4.14Å; I921-L1021 HydrophobicContact CG2-CD1 4.01Å |
| 922 | G | 91.2 | Very high | 90.7 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q918 A924 E925 E926 | Q918-G922 PolarHBondContact O-N 2.76Å; G922-A924 VanDerWaalsContact C-N 3.35Å; G922-A924 PolarHBondContact O-N 3Å; G922-E925 PolarHBondContact O-N 2.77Å; G922-E926 WeakPolarHBondContact O-CB 3.5Å; G922-E926 WeakPolarHBondContact O-CG 3.43Å; G922-E926 PolarHBondContact O-N 3.39Å |
| 923 | W | 93.7 | Very high | 90.7 | Very high | 41 Ų | 41 | 50 Ų | 50 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 176.1 | -175.5 | 82.3 | 0 | 0 | 0 | 113.1 | E919 I921 A927 E957 K961 W1022 F1025 | E919-W923 WeakPolarHBondContact O-CB 3.39Å; E919-W923 PolarHBondContact O-N 2.9Å; E919-W923 VanDerWaalsContact O-N 3.12Å; I921-W923 PolarHBondContact O-N 3.46Å; W923-A927 HydrophobicContact CH2-CB 4.39Å; W923-A927 HydrophobicContact CZ2-CB 4.5Å; W923-A927 HydrophobicContact CZ3-CB 4.44Å; W923-A927 WeakPolarHBondContact O-CB 3.44Å; W923-A927 PolarHBondContact O-N 3.28Å; W923-E957 HydrophobicContact CH2-CB 4.44Å; W923-E957 HydrophobicContact CZ2-CB 3.98Å; W923-K961 HydrophobicContact CD2-CD 3.85Å; W923-K961 HydrophobicContact CD2-CG 4.03Å; W923-K961 HydrophobicContact CE3-CB 4.3Å; W923-K961 HydrophobicContact CE3-CD 4.07Å; W923-K961 HydrophobicContact CE3-CG 4.08Å; W923-K961 HydrophobicContact CG-CD 4.17Å; W923-K961 HydrophobicContact CH2-CB 4.21Å; W923-K961 HydrophobicContact CH2-CG 4.11Å; W923-K961 HydrophobicContact CZ2-CG 4.04Å; W923-K961 HydrophobicContact CZ3-CB 4.04Å; W923-K961 HydrophobicContact CZ3-CG 4.13Å; W923-W1022 HydrophobicContact CE3-CH2 4.45Å; W923-W1022 AromaticContact CE3-CZ3 3.89Å; W923-W1022 HydrophobicContact CE3-CZ3 3.89Å; W923-W1022 HydrophobicContact CH2-CH2 4.5Å; W923-W1022 AromaticContact CZ3-CH2 3.72Å; W923-W1022 HydrophobicContact CZ3-CH2 3.72Å; W923-W1022 AromaticContact CZ3-CZ3 3.5Å; W923-W1022 HydrophobicContact CZ3-CZ3 3.5Å; W923-F1025 HydrophobicContact CH2-CE1 4.28Å; W923-F1025 HydrophobicContact CZ3-CE1 4.02Å |
| 924 | A | 91.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L920 I921 G922 N928 | L920-A924 WeakPolarHBondContact O-CB 3.38Å; L920-A924 PolarHBondContact O-N 2.85Å; L920-A924 VanDerWaalsContact O-N 3.11Å; I921-A924 PolarHBondContact O-N 3.14Å; I921-A924 VanDerWaalsContact O-N 3.12Å; G922-A924 VanDerWaalsContact C-N 3.35Å; G922-A924 PolarHBondContact O-N 3Å; A924-N928 VanDerWaalsContact O-CB 3.3Å; A924-N928 WeakPolarHBondContact O-CB 3.47Å; A924-N928 PolarHBondContact O-N 3.28Å |
| 925 | E | 90.8 | Very high | 90.5 | Very high | 61 Ų | 61 | 55 Ų | 55 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 178 | -69.9 | 178.7 | 170 | 0 | 0 | 112 | I921 G922 Q929 R1017 L1021 | I921-E925 HydrophobicContact CG2-CG 4.39Å; I921-E925 WeakPolarHBondContact O-CG 3.41Å; I921-E925 PolarHBondContact O-N 3.17Å; G922-E925 PolarHBondContact O-N 2.77Å; E925-Q929 WeakPolarHBondContact O-CB 3.24Å; E925-Q929 VanDerWaalsContact O-CG 3.32Å; E925-Q929 WeakPolarHBondContact O-CG 3.48Å; E925-Q929 PolarHBondContact O-N 2.97Å; E925-R1017 IonicContact OE1-CZ 2.7Å; E925-R1017 IonicContact OE1-NE 2.62Å; E925-R1017 PolarHBondContact OE1-NE 2.93Å; E925-R1017 IonicContact OE1-NH2 3.78Å; E925-R1017 PolarHBondContact OE1-NH2 3.46Å; E925-R1017 IonicContact OE2-NH2 2.9Å; E925-R1017 PolarHBondContact OE2-NH2 3.45Å; E925-L1021 HydrophobicContact CG-CD1 3.98Å; E925-L1021 VanDerWaalsContact OE1-CD1 3.26Å; E925-L1021 WeakPolarHBondContact OE1-CD1 3.46Å |
| 926 | E | 90 | Very high | 90.3 | Very high | 132 Ų | 132 | 58.8 Ų | 58.8 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 171.5 | -75.1 | 174.7 | -169.8 | 0 | 0 | 112 | G922 Q929 E930 | G922-E926 WeakPolarHBondContact O-CB 3.5Å; G922-E926 WeakPolarHBondContact O-CG 3.43Å; G922-E926 PolarHBondContact O-N 3.39Å; E926-Q929 PolarHBondContact O-N 2.93Å; E926-E930 PolarHBondContact O-N 3.21Å |
| 927 | A | 90.8 | Very high | 90 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W923 E930 L931 L954 F1025 | W923-A927 HydrophobicContact CH2-CB 4.39Å; W923-A927 HydrophobicContact CZ2-CB 4.5Å; W923-A927 HydrophobicContact CZ3-CB 4.44Å; W923-A927 WeakPolarHBondContact O-CB 3.44Å; W923-A927 PolarHBondContact O-N 3.28Å; A927-E930 PolarHBondContact O-N 2.92Å; A927-L931 WeakPolarHBondContact O-CB 3.4Å; A927-L931 PolarHBondContact O-N 3.26Å; A927-L954 HydrophobicContact CB-CD1 4.35Å; A927-F1025 HydrophobicContact CB-CE1 3.93Å; A927-F1025 HydrophobicContact CB-CE2 3.94Å; A927-F1025 HydrophobicContact CB-CZ 3.45Å; A927-F1025 VanDerWaalsContact CB-CZ 3.45Å |
| 928 | N | 91.2 | Very high | 89.4 | Confident | 25 Ų | 25 | 58 Ų | 58 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | 174.3 | -163.1 | 32.3 | 0 | 0 | 0 | 111.6 | A924 E930 L931 L932 F1025 | A924-N928 VanDerWaalsContact O-CB 3.3Å; A924-N928 WeakPolarHBondContact O-CB 3.47Å; A924-N928 PolarHBondContact O-N 3.28Å; N928-E930 VanDerWaalsContact C-N 3.35Å; N928-E930 PolarHBondContact O-N 3.35Å; N928-L931 PolarHBondContact O-N 2.96Å; N928-L932 WeakPolarHBondContact O-CG 3.15Å; N928-L932 PolarHBondContact O-N 3.43Å; N928-F1025 HydrophobicContact CB-CD2 3.72Å; N928-F1025 HydrophobicContact CB-CE2 4.32Å; N928-F1025 HydrophobicContact CB-CG 4.39Å |
| 929 | Q | 89.2 | Confident | 89 | Confident | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 172.2 | -78.9 | -177.5 | 41.8 | 0 | 0 | 112.4 | E925 E926 L932 R933 | E925-Q929 WeakPolarHBondContact O-CB 3.24Å; E925-Q929 VanDerWaalsContact O-CG 3.32Å; E925-Q929 WeakPolarHBondContact O-CG 3.48Å; E925-Q929 PolarHBondContact O-N 2.97Å; E926-Q929 PolarHBondContact O-N 2.93Å; Q929-L932 WeakPolarHBondContact O-CB 3.46Å; Q929-L932 PolarHBondContact O-N 3.33Å; Q929-R933 WeakPolarHBondContact O-CG 3.39Å; Q929-R933 PolarHBondContact O-N 3.48Å |
| 930 | E | 89 | Confident | 88.6 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.2 | -37.2 | 179.8 | -168.7 | 53.2 | -147.3 | 0 | 0 | 112.2 | E926 A927 N928 L932 R933 Q934 F950 | E926-E930 PolarHBondContact O-N 3.21Å; A927-E930 PolarHBondContact O-N 2.92Å; N928-E930 VanDerWaalsContact C-N 3.35Å; N928-E930 PolarHBondContact O-N 3.35Å; E930-L932 PolarHBondContact O-N 3.14Å; E930-R933 PolarHBondContact O-N 3.28Å; E930-R933 VanDerWaalsContact O-N 3.13Å; E930-R933 WeakPolarHBondContact OE2-CD 3.31Å; E930-R933 IonicContact OE2-CZ 3.19Å; E930-R933 IonicContact OE2-NH1 3.88Å; E930-R933 PolarHBondContact OE2-NH1 3.03Å; E930-Q934 PolarHBondContact O-N 3.19Å; E930-Q934 PolarHBondContact OE1-NE2 3.03Å; E930-F950 HydrophobicContact CG-CE2 3.8Å; E930-F950 HydrophobicContact CG-CZ 3.91Å |
| 931 | L | 91.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.9 | -39.3 | 168.7 | 179.5 | 65.4 | 0 | 0 | 0 | 112 | A927 N928 Q935 F950 I951 L954 F1025 N1028 W1032 | A927-L931 WeakPolarHBondContact O-CB 3.4Å; A927-L931 PolarHBondContact O-N 3.26Å; N928-L931 PolarHBondContact O-N 2.96Å; L931-Q935 WeakPolarHBondContact O-CG 3.2Å; L931-F950 HydrophobicContact CD1-CE1 4.5Å; L931-I951 HydrophobicContact CD1-CD1 3.84Å; L931-L954 HydrophobicContact CB-CD2 4.22Å; L931-L954 HydrophobicContact CD1-CD2 4.12Å; L931-F1025 HydrophobicContact CD2-CD2 4.42Å; L931-F1025 HydrophobicContact CD2-CE2 4.25Å; L931-N1028 HydrophobicContact CD2-CB 4.02Å; L931-W1032 HydrophobicContact CD1-CB 4.27Å; L931-W1032 HydrophobicContact CD1-CD2 3.98Å; L931-W1032 HydrophobicContact CD1-CE3 3.48Å; L931-W1032 VanDerWaalsContact CD1-CE3 3.48Å; L931-W1032 HydrophobicContact CD1-CG 4.31Å; L931-W1032 HydrophobicContact CD1-CZ3 4.13Å |
| 932 | L | 88.1 | Confident | 88 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 174.7 | -69.9 | 167.8 | 0 | 0 | 0 | 112.7 | N928 Q929 E930 Q934 Q935 | N928-L932 WeakPolarHBondContact O-CG 3.15Å; N928-L932 PolarHBondContact O-N 3.43Å; Q929-L932 WeakPolarHBondContact O-CB 3.46Å; Q929-L932 PolarHBondContact O-N 3.33Å; E930-L932 PolarHBondContact O-N 3.14Å; L932-Q934 PolarHBondContact O-N 3.02Å; L932-Q935 WeakPolarHBondContact O-CB 3.21Å; L932-Q935 PolarHBondContact O-N 3.07Å |
| 933 | R | 89 | Confident | 87.8 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.7 | -26.5 | 176.6 | -72.9 | -165.2 | -166.5 | 85.3 | 13.6 | 113.7 | Q929 E930 Q935 | Q929-R933 WeakPolarHBondContact O-CG 3.39Å; Q929-R933 PolarHBondContact O-N 3.48Å; E930-R933 PolarHBondContact O-N 3.28Å; E930-R933 VanDerWaalsContact O-N 3.13Å; E930-R933 WeakPolarHBondContact OE2-CD 3.31Å; E930-R933 IonicContact OE2-CZ 3.19Å; E930-R933 IonicContact OE2-NH1 3.88Å; E930-R933 PolarHBondContact OE2-NH1 3.03Å; R933-Q935 PolarHBondContact O-N 3.33Å |
| 934 | Q | 87.6 | Confident | 87.6 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.3 | 176.1 | -59.6 | -56.7 | -31.9 | 0 | 0 | 113.7 | E930 L932 Q947 F950 W1032 | E930-Q934 PolarHBondContact O-N 3.19Å; E930-Q934 PolarHBondContact OE1-NE2 3.03Å; L932-Q934 PolarHBondContact O-N 3.02Å; Q934-Q947 PolarHBondContact O-NE2 3.13Å; Q934-F950 HydrophobicContact CB-CD1 4.43Å; Q934-F950 HydrophobicContact CB-CE1 4.38Å; Q934-F950 HydrophobicContact CG-CD1 3.81Å; Q934-F950 HydrophobicContact CG-CD2 4.2Å; Q934-F950 HydrophobicContact CG-CE1 3.73Å; Q934-F950 HydrophobicContact CG-CE2 4.11Å; Q934-F950 HydrophobicContact CG-CG 4.06Å; Q934-F950 HydrophobicContact CG-CZ 3.88Å; Q934-W1032 HydrophobicContact CB-CH2 3.58Å; Q934-W1032 HydrophobicContact CB-CZ2 4.1Å; Q934-W1032 HydrophobicContact CB-CZ3 4.29Å; Q934-W1032 WeakPolarHBondContact O-CZ2 3.22Å |
| 935 | Q | 85.2 | Confident | 87.6 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | trans | -92.8 | 147.5 | 175 | -47.6 | -167.6 | 17.7 | 0 | 0 | 111.4 | L931 L932 R933 W1032 | L931-Q935 WeakPolarHBondContact O-CG 3.2Å; L932-Q935 WeakPolarHBondContact O-CB 3.21Å; L932-Q935 PolarHBondContact O-N 3.07Å; R933-Q935 PolarHBondContact O-N 3.33Å; Q935-W1032 HydrophobicContact CG-CZ2 4.35Å | ||
| 936 | P | 84.1 | Confident | 87.5 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 74% | 0.74 | 31% | 0.31 | S | S | * | . | S | Bend | cis | -83.4 | 175.3 | 1.2 | 35.7 | -37.5 | 0 | 0 | 0 | 113.8 | Q947 | P936-Q947 PolarHBondContact O-NE2 2.96Š|
| 937 | L | 85.1 | Confident | 87.6 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | trans | -54.8 | 142.3 | 174.8 | -59.9 | 169.8 | 0 | 0 | 0 | 112.7 | L944 L1035 V1036 T1039 V1115 | L937-L944 HydrophobicContact CB-CD2 4.19Å; L937-L944 HydrophobicContact CD2-CD2 4.42Å; L937-L1035 HydrophobicContact CD1-CD1 4.19Å; L937-L1035 HydrophobicContact CD1-CD2 4.06Å; L937-L1035 HydrophobicContact CD1-CG 3.88Å; L937-L1035 HydrophobicContact CD2-CG 4.36Å; L937-V1036 HydrophobicContact CD2-CG2 3.68Å; L937-T1039 HydrophobicContact CD1-CG2 4.2Å; L937-V1115 HydrophobicContact CD1-CG2 4.26Å | ||
| 938 | G | 81.1 | Confident | 87.7 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | trans | -64.9 | 145.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L944 | G938-L944 WeakPolarHBondContact O-CD1 3.3Å; G938-L944 WeakPolarHBondContact O-CG 3.4Å | ||
| 939 | G | 82.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -85.6 | -3.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1116 L1117 S1118 | G939-R1116 WeakPolarHBondContact CA-O 3.18Å; G939-L1117 CarbonylContact O-C 3.57Å; G939-S1118 WeakPolarHBondContact O-CB 3.33Å; G939-S1118 PolarHBondContact O-N 2.79Å |
| 940 | D | 84 | Confident | 87.8 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.193 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -140.5 | 166.4 | 176.2 | 49.3 | 48.3 | 0 | 0 | 0 | 112 | D942 R943 L944 S1118 M1121 | D940-D942 VanDerWaalsContact C-N 3.28Å; D940-D942 PolarHBondContact O-N 2.8Å; D940-R943 PolarHBondContact O-N 3.1Å; D940-R943 WeakPolarHBondContact OD1-CB 3.37Å; D940-R943 PolarHBondContact OD1-N 3.08Å; D940-R943 VanDerWaalsContact OD1-N 3.08Å; D940-L944 WeakPolarHBondContact O-CB 3.31Å; D940-L944 PolarHBondContact O-N 3.02Å; D940-L944 VanDerWaalsContact O-N 3.1Å; D940-S1118 PolarHBondContact OD2-OG 2.86Å; D940-M1121 HydrophobicContact CB-CE 4.25Å |
| 941 | F | 86.8 | Confident | 88 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -38.8 | -178.7 | 179.4 | -99.1 | 0 | 0 | 0 | 112.8 | K945 Y1040 M1043 M1044 | F941-K945 WeakPolarHBondContact O-CB 3.3Å; F941-K945 PolarHBondContact O-N 3.32Å; F941-Y1040 HydrophobicContact CD2-CD2 4.44Å; F941-Y1040 AromaticContact CD2-CE2 3.87Å; F941-Y1040 HydrophobicContact CD2-CE2 3.87Å; F941-Y1040 HydrophobicContact CE2-CD2 4.3Å; F941-Y1040 AromaticContact CE2-CE2 3.4Å; F941-Y1040 HydrophobicContact CE2-CE2 3.4Å; F941-Y1040 VanDerWaalsContact CE2-CE2 3.4Å; F941-Y1040 AromaticContact CE2-CZ 3.68Å; F941-Y1040 AromaticContact CZ-CE2 3.9Å; F941-Y1040 HydrophobicContact CZ-CE2 3.9Å; F941-Y1040 AromaticContact CZ-CZ 3.98Å; F941-Y1040 WeakPolarHBondContact CZ-OH 3.38Å; F941-M1043 HydrophobicContact CB-CG 4.09Å; F941-M1044 HydrophobicContact CD2-CB 4.29Å; F941-M1044 HydrophobicContact CE2-CB 3.94Å; F941-M1044 HydrophobicContact CE2-CG 4.06Å |
| 942 | D | 86.4 | Confident | 88 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -49.9 | -177.3 | -60.5 | -57.3 | 0 | 0 | 0 | 110.7 | D940 K945 E946 K1120 | D940-D942 VanDerWaalsContact C-N 3.28Å; D940-D942 PolarHBondContact O-N 2.8Å; D942-K945 WeakPolarHBondContact O-CB 3.37Å; D942-K945 PolarHBondContact O-N 3Å; D942-E946 PolarHBondContact O-N 2.97Å; D942-K1120 IonicContact OD2-NZ 2.72Å; D942-K1120 PolarHBondContact OD2-NZ 3.25Å; D942-K1120 VanDerWaalsContact OD2-NZ 3.15Å |
| 943 | R | 86.3 | Confident | 88.1 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 179.2 | -175.9 | 57.9 | -179.1 | 163.8 | 9.8 | 113.7 | D940 K945 E946 Q947 | D940-R943 PolarHBondContact O-N 3.1Å; D940-R943 WeakPolarHBondContact OD1-CB 3.37Å; D940-R943 PolarHBondContact OD1-N 3.08Å; D940-R943 VanDerWaalsContact OD1-N 3.08Å; R943-K945 VanDerWaalsContact C-N 3.26Å; R943-K945 PolarHBondContact O-N 3.42Å; R943-E946 WeakPolarHBondContact CD-OE2 3.28Å; R943-E946 IonicContact CZ-OE2 3.73Å; R943-E946 IonicContact NE-OE2 3.84Å; R943-E946 IonicContact NH1-OE2 3.01Å; R943-E946 PolarHBondContact NH1-OE2 3.31Å; R943-E946 PolarHBondContact O-N 2.89Å; R943-Q947 PolarHBondContact O-N 3.18Å; R943-Q947 VanDerWaalsContact O-N 3.14Å |
| 944 | L | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 174.6 | -79.5 | 165.2 | 0 | 0 | 0 | 112.1 | L937 G938 D940 Q947 N948 T1039 Y1040 M1043 | L937-L944 HydrophobicContact CB-CD2 4.19Å; L937-L944 HydrophobicContact CD2-CD2 4.42Å; G938-L944 WeakPolarHBondContact O-CD1 3.3Å; G938-L944 WeakPolarHBondContact O-CG 3.4Å; D940-L944 WeakPolarHBondContact O-CB 3.31Å; D940-L944 PolarHBondContact O-N 3.02Å; D940-L944 VanDerWaalsContact O-N 3.1Å; L944-Q947 PolarHBondContact O-N 3.26Å; L944-N948 WeakPolarHBondContact O-CB 3.04Å; L944-N948 PolarHBondContact O-N 2.87Å; L944-T1039 HydrophobicContact CD1-CG2 3.87Å; L944-T1039 HydrophobicContact CD2-CG2 3.7Å; L944-T1039 HydrophobicContact CG-CG2 4.47Å; L944-Y1040 HydrophobicContact CB-CD2 4.15Å; L944-M1043 HydrophobicContact CD1-CB 3.64Å; L944-M1043 HydrophobicContact CD1-CE 3.68Å; L944-M1043 HydrophobicContact CD1-CG 3.78Å |
| 945 | K | 90 | Very high | 88.4 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.5 | -167.8 | -164.8 | 168.2 | -155.3 | 0 | 111.7 | F941 D942 R943 Q947 N948 D949 Y1040 | F941-K945 WeakPolarHBondContact O-CB 3.3Å; F941-K945 PolarHBondContact O-N 3.32Å; D942-K945 WeakPolarHBondContact O-CB 3.37Å; D942-K945 PolarHBondContact O-N 3Å; R943-K945 VanDerWaalsContact C-N 3.26Å; R943-K945 PolarHBondContact O-N 3.42Å; K945-Q947 VanDerWaalsContact C-N 3.29Å; K945-Q947 PolarHBondContact O-N 3.24Å; K945-N948 WeakPolarHBondContact O-CB 3.48Å; K945-N948 PolarHBondContact O-N 3.03Å; K945-D949 VanDerWaalsContact O-CG 3.27Å; K945-D949 PolarHBondContact O-N 3.29Å; K945-Y1040 HydrophobicContact CB-CE2 3.89Å; K945-Y1040 HydrophobicContact CG-CE2 4.18Å |
| 946 | E | 90.4 | Very high | 88.6 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 175.2 | -65.9 | 177.4 | 163.6 | 0 | 0 | 112 | D942 R943 D949 F950 | D942-E946 PolarHBondContact O-N 2.97Å; R943-E946 WeakPolarHBondContact CD-OE2 3.28Å; R943-E946 IonicContact CZ-OE2 3.73Å; R943-E946 IonicContact NE-OE2 3.84Å; R943-E946 IonicContact NH1-OE2 3.01Å; R943-E946 PolarHBondContact NH1-OE2 3.31Å; R943-E946 PolarHBondContact O-N 2.89Å; E946-D949 PolarHBondContact O-N 2.88Å; E946-F950 WeakPolarHBondContact O-CB 3.41Å; E946-F950 PolarHBondContact O-N 3.4Å |
| 947 | Q | 91.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.8 | -72.3 | 169.9 | -38.6 | 0 | 0 | 112.6 | Q934 P936 R943 L944 K945 I951 W1032 V1036 | Q934-Q947 PolarHBondContact O-NE2 3.13Å; P936-Q947 PolarHBondContact O-NE2 2.96Å; R943-Q947 PolarHBondContact O-N 3.18Å; R943-Q947 VanDerWaalsContact O-N 3.14Å; L944-Q947 PolarHBondContact O-N 3.26Å; K945-Q947 VanDerWaalsContact C-N 3.29Å; K945-Q947 PolarHBondContact O-N 3.24Å; Q947-I951 PolarHBondContact O-N 3.36Å; Q947-I951 VanDerWaalsContact O-N 3.1Å; Q947-W1032 HydrophobicContact CB-CH2 3.96Å; Q947-W1032 HydrophobicContact CG-CH2 4.15Å; Q947-V1036 HydrophobicContact CB-CG1 4.32Å |
| 948 | N | 91.8 | Very high | 89 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 172.7 | 173 | 88.7 | 0 | 0 | 0 | 111.8 | L944 K945 F950 I951 Q952 V1036 | L944-N948 WeakPolarHBondContact O-CB 3.04Å; L944-N948 PolarHBondContact O-N 2.87Å; K945-N948 WeakPolarHBondContact O-CB 3.48Å; K945-N948 PolarHBondContact O-N 3.03Å; N948-F950 VanDerWaalsContact C-N 3.28Å; N948-F950 PolarHBondContact O-N 3.27Å; N948-I951 WeakPolarHBondContact O-CG2 3.48Å; N948-I951 PolarHBondContact O-N 2.88Å; N948-Q952 PolarHBondContact ND2-NE2 3.29Å; N948-Q952 VanDerWaalsContact ND2-NE2 3.12Å; N948-Q952 WeakPolarHBondContact O-CG 3.27Å; N948-Q952 PolarHBondContact O-N 3.44Å; N948-Q952 PolarHBondContact OD1-NE2 2.88Å; N948-V1036 HydrophobicContact CB-CG1 3.96Å |
| 949 | D | 91.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | -177.7 | -65.1 | -6.2 | 0 | 0 | 0 | 110.6 | K945 E946 S953 | K945-D949 VanDerWaalsContact O-CG 3.27Å; K945-D949 PolarHBondContact O-N 3.29Å; E946-D949 PolarHBondContact O-N 2.88Å; D949-S953 PolarHBondContact O-N 3.29Å |
| 950 | F | 92.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 21% | 0.211 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 170.6 | 169.3 | -90.9 | 0 | 0 | 0 | 113.1 | E930 L931 Q934 E946 N948 Q952 S953 L954 W1032 | E930-F950 HydrophobicContact CG-CE2 3.8Å; E930-F950 HydrophobicContact CG-CZ 3.91Å; L931-F950 HydrophobicContact CD1-CE1 4.5Å; Q934-F950 HydrophobicContact CB-CD1 4.43Å; Q934-F950 HydrophobicContact CB-CE1 4.38Å; Q934-F950 HydrophobicContact CG-CD1 3.81Å; Q934-F950 HydrophobicContact CG-CD2 4.2Å; Q934-F950 HydrophobicContact CG-CE1 3.73Å; Q934-F950 HydrophobicContact CG-CE2 4.11Å; Q934-F950 HydrophobicContact CG-CG 4.06Å; Q934-F950 HydrophobicContact CG-CZ 3.88Å; E946-F950 WeakPolarHBondContact O-CB 3.41Å; E946-F950 PolarHBondContact O-N 3.4Å; N948-F950 VanDerWaalsContact C-N 3.28Å; N948-F950 PolarHBondContact O-N 3.27Å; F950-Q952 VanDerWaalsContact C-N 3.27Å; F950-Q952 PolarHBondContact O-N 3.24Å; F950-S953 WeakPolarHBondContact O-CA 3.35Å; F950-S953 WeakPolarHBondContact O-CB 3.45Å; F950-S953 PolarHBondContact O-N 3.47Å; F950-L954 HydrophobicContact CE1-CB 4.49Å; F950-L954 HydrophobicContact CE1-CD2 4.02Å; F950-L954 HydrophobicContact CZ-CD2 4.13Å; F950-L954 PolarHBondContact O-N 2.87Å; F950-W1032 HydrophobicContact CD1-CZ3 4.05Å; F950-W1032 HydrophobicContact CE1-CZ3 4.33Å |
| 951 | I | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -27.9 | -173.3 | -164.5 | 55.3 | 0 | 0 | 0 | 112.5 | L931 Q947 N948 L954 N955 T1029 W1032 Q1033 V1036 | L931-I951 HydrophobicContact CD1-CD1 3.84Å; Q947-I951 PolarHBondContact O-N 3.36Å; Q947-I951 VanDerWaalsContact O-N 3.1Å; N948-I951 WeakPolarHBondContact O-CG2 3.48Å; N948-I951 PolarHBondContact O-N 2.88Å; I951-L954 HydrophobicContact CD1-CB 4.39Å; I951-L954 HydrophobicContact CD1-CD2 4.02Å; I951-N955 PolarHBondContact O-N 3.08Å; I951-N955 PolarHBondContact O-ND2 3.3Å; I951-T1029 HydrophobicContact CD1-CG2 3.81Å; I951-W1032 HydrophobicContact CB-CE3 4.17Å; I951-W1032 HydrophobicContact CB-CZ3 3.99Å; I951-W1032 HydrophobicContact CD1-CE3 3.86Å; I951-W1032 HydrophobicContact CD1-CZ3 4.28Å; I951-W1032 HydrophobicContact CG1-CE3 3.97Å; I951-W1032 HydrophobicContact CG1-CZ3 4.3Å; I951-Q1033 HydrophobicContact CG1-CB 3.71Å; I951-Q1033 HydrophobicContact CG1-CG 4.18Å; I951-Q1033 HydrophobicContact CG2-CG 4.26Å; I951-V1036 HydrophobicContact CG2-CG1 4.4Å |
| 952 | Q | 91 | Very high | 90 | Very high | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 169.7 | -67.8 | -176 | 19.4 | 0 | 0 | 112 | N948 F950 G956 | N948-Q952 PolarHBondContact ND2-NE2 3.29Å; N948-Q952 VanDerWaalsContact ND2-NE2 3.12Å; N948-Q952 WeakPolarHBondContact O-CG 3.27Å; N948-Q952 PolarHBondContact O-N 3.44Å; N948-Q952 PolarHBondContact OD1-NE2 2.88Å; F950-Q952 VanDerWaalsContact C-N 3.27Å; F950-Q952 PolarHBondContact O-N 3.24Å; Q952-G956 PolarHBondContact O-N 2.84Å |
| 953 | S | 92 | Very high | 90.2 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 174 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | D949 F950 N955 G956 E957 | D949-S953 PolarHBondContact O-N 3.29Å; F950-S953 WeakPolarHBondContact O-CA 3.35Å; F950-S953 WeakPolarHBondContact O-CB 3.45Å; F950-S953 PolarHBondContact O-N 3.47Å; S953-N955 PolarHBondContact O-N 3.03Å; S953-G956 CarbonylContact O-C 3.4Å; S953-G956 WeakPolarHBondContact O-CA 3.39Å; S953-G956 PolarHBondContact O-N 3.24Å; S953-E957 PolarHBondContact O-N 3.12Å |
| 954 | L | 92 | Very high | 90.4 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | -177.7 | -173 | 64.3 | 0 | 0 | 0 | 112.3 | A927 L931 F950 I951 G956 E957 L958 F1025 T1029 | A927-L954 HydrophobicContact CB-CD1 4.35Å; L931-L954 HydrophobicContact CB-CD2 4.22Å; L931-L954 HydrophobicContact CD1-CD2 4.12Å; F950-L954 HydrophobicContact CE1-CB 4.49Å; F950-L954 HydrophobicContact CE1-CD2 4.02Å; F950-L954 HydrophobicContact CZ-CD2 4.13Å; F950-L954 PolarHBondContact O-N 2.87Å; I951-L954 HydrophobicContact CD1-CB 4.39Å; I951-L954 HydrophobicContact CD1-CD2 4.02Å; L954-G956 PolarHBondContact O-N 2.93Å; L954-E957 PolarHBondContact O-N 3.06Å; L954-L958 PolarHBondContact O-N 2.85Å; L954-F1025 HydrophobicContact CD1-CZ 4.19Å; L954-F1025 HydrophobicContact CD2-CE2 4.27Å; L954-F1025 HydrophobicContact CD2-CZ 4.2Å; L954-F1025 HydrophobicContact CG-CZ 4.29Å; L954-T1029 HydrophobicContact CD2-CG2 4.36Å |
| 955 | N | 89.6 | Confident | 90.5 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -35.8 | 172.1 | -86.8 | -60.4 | 0 | 0 | 0 | 112.6 | I951 S953 E957 L959 Q1033 | I951-N955 PolarHBondContact O-N 3.08Å; I951-N955 PolarHBondContact O-ND2 3.3Å; S953-N955 PolarHBondContact O-N 3.03Å; N955-E957 PolarHBondContact O-N 2.79Å; N955-L959 PolarHBondContact O-N 2.85Å; N955-Q1033 PolarHBondContact ND2-OE1 3.4Å |
| 956 | G | 88.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -11.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q952 S953 L954 K960 | Q952-G956 PolarHBondContact O-N 2.84Å; S953-G956 CarbonylContact O-C 3.4Å; S953-G956 WeakPolarHBondContact O-CA 3.39Å; S953-G956 PolarHBondContact O-N 3.24Å; L954-G956 PolarHBondContact O-N 2.93Å; G956-K960 WeakPolarHBondContact O-CE 2.84Å; G956-K960 WeakPolarHBondContact O-CG 3.43Å; G956-K960 PolarHBondContact O-NZ 3.27Å |
| 957 | E | 89.1 | Confident | 90.7 | Very high | 84 Ų | 84 | 61 Ų | 61 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -102.4 | -41 | 173.2 | -53.8 | -149.8 | 155.2 | 0 | 0 | 112.5 | W923 S953 L954 N955 L959 K960 K961 | W923-E957 HydrophobicContact CH2-CB 4.44Å; W923-E957 HydrophobicContact CZ2-CB 3.98Å; S953-E957 PolarHBondContact O-N 3.12Å; L954-E957 PolarHBondContact O-N 3.06Å; N955-E957 PolarHBondContact O-N 2.79Å; E957-L959 PolarHBondContact O-N 3.38Å; E957-K960 WeakPolarHBondContact O-CA 3.38Å; E957-K960 WeakPolarHBondContact O-CB 3.16Å; E957-K960 PolarHBondContact O-N 2.84Å; E957-K961 PolarHBondContact O-N 3.06Å; E957-K961 VanDerWaalsContact O-N 3.08Å |
| 958 | L | 90.1 | Very high | 90.7 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -47.4 | -48.6 | 171.3 | -175 | 74.7 | 0 | 0 | 0 | 111 | L954 K960 K961 D962 W1022 F1025 T1026 | L954-L958 PolarHBondContact O-N 2.85Å; L958-K960 PolarHBondContact O-N 2.81Å; L958-K961 PolarHBondContact O-N 3.32Å; L958-D962 PolarHBondContact O-N 3.44Å; L958-W1022 HydrophobicContact CD1-CH2 3.72Å; L958-W1022 HydrophobicContact CD1-CZ2 3.53Å; L958-W1022 HydrophobicContact CD1-CZ3 4.46Å; L958-W1022 HydrophobicContact CG-CZ2 4.21Å; L958-F1025 HydrophobicContact CD1-CD1 3.86Å; L958-F1025 HydrophobicContact CD1-CE1 3.59Å; L958-T1026 HydrophobicContact CD2-CG2 4.39Å |
| 959 | L | 87.5 | Confident | 90.7 | Very high | 148 Ų | 148 | 61 Ų | 61 | 78% | 0.775 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.4 | -16.4 | -180 | -166 | 137.1 | 0 | 0 | 0 | 114.2 | N955 E957 | N955-L959 PolarHBondContact O-N 2.85Å; E957-L959 PolarHBondContact O-N 3.38Å |
| 960 | K | 86.3 | Confident | 90.7 | Very high | 142 Ų | 142 | 63.9 Ų | 63.9 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -86.3 | -42.2 | 172.2 | -56.1 | 175.4 | -171.5 | 114.5 | 0 | 111.7 | G956 E957 L958 | G956-K960 WeakPolarHBondContact O-CE 2.84Å; G956-K960 WeakPolarHBondContact O-CG 3.43Å; G956-K960 PolarHBondContact O-NZ 3.27Å; E957-K960 WeakPolarHBondContact O-CA 3.38Å; E957-K960 WeakPolarHBondContact O-CB 3.16Å; E957-K960 PolarHBondContact O-N 2.84Å; L958-K960 PolarHBondContact O-N 2.81Å |
| 961 | K | 90.7 | Very high | 90.6 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 19% | 0.191 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -78.7 | -27.3 | -175.7 | -80.9 | -98.9 | -171.5 | 171.7 | 0 | 113.2 | E919 L920 W923 E957 L958 K963 A964 V965 W1022 | E919-K961 IonicContact OE1-NZ 2.93Å; E919-K961 PolarHBondContact OE1-NZ 3.32Å; L920-K961 HydrophobicContact CD2-CD 3.87Å; W923-K961 HydrophobicContact CD2-CD 3.85Å; W923-K961 HydrophobicContact CD2-CG 4.03Å; W923-K961 HydrophobicContact CE3-CB 4.3Å; W923-K961 HydrophobicContact CE3-CD 4.07Å; W923-K961 HydrophobicContact CE3-CG 4.08Å; W923-K961 HydrophobicContact CG-CD 4.17Å; W923-K961 HydrophobicContact CH2-CB 4.21Å; W923-K961 HydrophobicContact CH2-CG 4.11Å; W923-K961 HydrophobicContact CZ2-CG 4.04Å; W923-K961 HydrophobicContact CZ3-CB 4.04Å; W923-K961 HydrophobicContact CZ3-CG 4.13Å; E957-K961 PolarHBondContact O-N 3.06Å; E957-K961 VanDerWaalsContact O-N 3.08Å; L958-K961 PolarHBondContact O-N 3.32Å; K961-K963 VanDerWaalsContact C-N 3.25Å; K961-K963 PolarHBondContact O-N 2.75Å; K961-K963 VanDerWaalsContact O-N 3.1Å; K961-A964 WeakPolarHBondContact O-CB 3.48Å; K961-A964 PolarHBondContact O-N 3.35Å; K961-V965 PolarHBondContact O-N 2.64Å; K961-W1022 HydrophobicContact CB-CH2 3.62Å; K961-W1022 HydrophobicContact CB-CZ3 4.2Å |
| 962 | D | 91.4 | Very high | 90.5 | Very high | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -44.8 | -43.4 | 176.8 | 173.9 | 84.5 | 0 | 0 | 0 | 114.5 | L958 K966 W1022 | L958-D962 PolarHBondContact O-N 3.44Å; D962-K966 WeakPolarHBondContact O-CG 3.38Å; D962-K966 PolarHBondContact O-N 3.06Å; D962-K966 WeakPolarHBondContact OD1-CE 3.33Å; D962-K966 IonicContact OD1-NZ 2.7Å; D962-K966 PolarHBondContact OD1-NZ 3.49Å; D962-K966 WeakPolarHBondContact OD2-CE 3.44Å; D962-K966 IonicContact OD2-NZ 3.49Å; D962-K966 PolarHBondContact OD2-NZ 3.09Å; D962-W1022 HydrophobicContact CB-CZ2 4Å |
| 963 | K | 89.1 | Confident | 90.4 | Very high | 122 Ų | 122 | 66.7 Ų | 66.7 | 53% | 0.53 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 178.6 | -177.5 | 176.3 | 178.6 | -79.8 | 0 | 112.4 | K961 K966 E967 | K961-K963 VanDerWaalsContact C-N 3.25Å; K961-K963 PolarHBondContact O-N 2.75Å; K961-K963 VanDerWaalsContact O-N 3.1Å; K963-K966 PolarHBondContact O-N 3.48Å; K963-E967 WeakPolarHBondContact CE-OE1 3.45Å; K963-E967 IonicContact NZ-OE1 2.76Å; K963-E967 PolarHBondContact NZ-OE1 3.44Å; K963-E967 IonicContact NZ-OE2 2.95Å; K963-E967 PolarHBondContact NZ-OE2 3.46Å; K963-E967 WeakPolarHBondContact O-CG 3.35Å; K963-E967 PolarHBondContact O-N 3.03Å; K963-E967 VanDerWaalsContact O-N 3.11Å |
| 964 | A | 90.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L920 K961 K966 E967 V968 | L920-A964 HydrophobicContact CD2-CB 4.32Å; K961-A964 WeakPolarHBondContact O-CB 3.48Å; K961-A964 PolarHBondContact O-N 3.35Å; A964-K966 VanDerWaalsContact C-N 3.35Å; A964-K966 PolarHBondContact O-N 3.12Å; A964-E967 PolarHBondContact O-N 3.13Å; A964-V968 WeakPolarHBondContact O-CG2 3.48Å; A964-V968 PolarHBondContact O-N 3.48Å |
| 965 | V | 92.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | L920 K961 E967 V968 I969 L1018 W1022 | L920-V965 HydrophobicContact CD1-CG2 4.17Å; L920-V965 HydrophobicContact CD2-CG2 4.31Å; K961-V965 PolarHBondContact O-N 2.64Å; V965-E967 PolarHBondContact O-N 3.19Å; V965-V968 PolarHBondContact O-N 2.67Å; V965-I969 HydrophobicContact CG1-CD1 3.67Å; V965-I969 HydrophobicContact CG1-CG1 4.48Å; V965-I969 WeakPolarHBondContact O-CB 3.42Å; V965-I969 WeakPolarHBondContact O-CG1 3.44Å; V965-I969 PolarHBondContact O-N 2.89Å; V965-L1018 HydrophobicContact CG1-CD1 4.49Å; V965-L1018 HydrophobicContact CG1-CD2 4.27Å; V965-L1018 HydrophobicContact CG1-CG 4.13Å; V965-L1018 HydrophobicContact CG2-CD1 4.5Å; V965-W1022 HydrophobicContact CB-CD2 4.45Å; V965-W1022 HydrophobicContact CG1-CB 4.44Å; V965-W1022 HydrophobicContact CG1-CD2 4.25Å; V965-W1022 HydrophobicContact CG1-CG 4.14Å; V965-W1022 HydrophobicContact CG2-CD2 3.91Å; V965-W1022 HydrophobicContact CG2-CE3 3.64Å; V965-W1022 HydrophobicContact CG2-CH2 4.18Å; V965-W1022 HydrophobicContact CG2-CZ2 4.43Å; V965-W1022 HydrophobicContact CG2-CZ3 3.75Å |
| 966 | K | 91.5 | Very high | 89.5 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 178.5 | -70.2 | 166.4 | -174 | 166 | 0 | 112.9 | D962 K963 A964 Q970 | D962-K966 WeakPolarHBondContact O-CG 3.38Å; D962-K966 PolarHBondContact O-N 3.06Å; D962-K966 WeakPolarHBondContact OD1-CE 3.33Å; D962-K966 IonicContact OD1-NZ 2.7Å; D962-K966 PolarHBondContact OD1-NZ 3.49Å; D962-K966 WeakPolarHBondContact OD2-CE 3.44Å; D962-K966 IonicContact OD2-NZ 3.49Å; D962-K966 PolarHBondContact OD2-NZ 3.09Å; K963-K966 PolarHBondContact O-N 3.48Å; A964-K966 VanDerWaalsContact C-N 3.35Å; A964-K966 PolarHBondContact O-N 3.12Å; K966-Q970 WeakPolarHBondContact O-CB 3.49Å; K966-Q970 PolarHBondContact O-N 2.78Å |
| 967 | E | 92.1 | Very high | 89.1 | Confident | 103 Ų | 103 | 72 Ų | 72 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 177.3 | -71.9 | 179.6 | 151 | 0 | 0 | 112.5 | K963 A964 V965 L971 | K963-E967 WeakPolarHBondContact CE-OE1 3.45Å; K963-E967 IonicContact NZ-OE1 2.76Å; K963-E967 PolarHBondContact NZ-OE1 3.44Å; K963-E967 IonicContact NZ-OE2 2.95Å; K963-E967 PolarHBondContact NZ-OE2 3.46Å; K963-E967 WeakPolarHBondContact O-CG 3.35Å; K963-E967 PolarHBondContact O-N 3.03Å; K963-E967 VanDerWaalsContact O-N 3.11Å; A964-E967 PolarHBondContact O-N 3.13Å; V965-E967 PolarHBondContact O-N 3.19Å; E967-L971 PolarHBondContact O-N 3.05Å; E967-L971 VanDerWaalsContact O-N 3.17Å |
| 968 | V | 92.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.8 | -43.7 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L913 Q916 L917 L920 A964 V965 Q970 L971 A972 | L913-V968 HydrophobicContact CD1-CG1 4.37Å; Q916-V968 HydrophobicContact CB-CG1 4.31Å; Q916-V968 HydrophobicContact CB-CG2 4.12Å; L917-V968 HydrophobicContact CD2-CG1 3.6Å; L917-V968 HydrophobicContact CG-CG1 3.76Å; L920-V968 HydrophobicContact CD1-CB 3.94Å; L920-V968 HydrophobicContact CD1-CG1 4.33Å; L920-V968 HydrophobicContact CD1-CG2 3.75Å; A964-V968 WeakPolarHBondContact O-CG2 3.48Å; A964-V968 PolarHBondContact O-N 3.48Å; V965-V968 PolarHBondContact O-N 2.67Å; V968-Q970 VanDerWaalsContact C-N 3.28Å; V968-Q970 PolarHBondContact O-N 3.24Å; V968-L971 WeakPolarHBondContact O-CB 3.46Å; V968-L971 PolarHBondContact O-N 2.79Å; V968-A972 PolarHBondContact O-N 2.91Å |
| 969 | I | 91.7 | Very high | 87.2 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 174.7 | -69 | 170.5 | 0 | 0 | 0 | 110.8 | V965 L971 A972 R973 L1018 E1019 | V965-I969 HydrophobicContact CG1-CD1 3.67Å; V965-I969 HydrophobicContact CG1-CG1 4.48Å; V965-I969 WeakPolarHBondContact O-CB 3.42Å; V965-I969 WeakPolarHBondContact O-CG1 3.44Å; V965-I969 PolarHBondContact O-N 2.89Å; I969-L971 VanDerWaalsContact C-N 3.33Å; I969-L971 PolarHBondContact O-N 2.82Å; I969-A972 PolarHBondContact O-N 3.15Å; I969-R973 VanDerWaalsContact CG2-CZ 3.48Å; I969-R973 WeakPolarHBondContact O-CB 3.37Å; I969-R973 VanDerWaalsContact O-CG 3.3Å; I969-R973 WeakPolarHBondContact O-CG 3.37Å; I969-R973 PolarHBondContact O-N 3.38Å; I969-L1018 HydrophobicContact CD1-CG 4.48Å; I969-L1018 HydrophobicContact CG1-CD2 4.32Å; I969-E1019 HydrophobicContact CD1-CB 3.99Å; I969-E1019 HydrophobicContact CD1-CG 4.21Å |
| 970 | Q | 91.3 | Very high | 86.2 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.4 | -37 | 174.2 | -170.3 | 176.2 | 14.4 | 0 | 0 | 112.5 | K966 V968 S974 | K966-Q970 WeakPolarHBondContact O-CB 3.49Å; K966-Q970 PolarHBondContact O-N 2.78Å; V968-Q970 VanDerWaalsContact C-N 3.28Å; V968-Q970 PolarHBondContact O-N 3.24Å; Q970-S974 WeakPolarHBondContact O-CB 3.38Å; Q970-S974 PolarHBondContact O-N 3.03Å; Q970-S974 VanDerWaalsContact O-N 3.15Å |
| 971 | L | 89.8 | Confident | 85.5 | Confident | 82 Ų | 82 | 65 Ų | 65 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 175.9 | -174.1 | 59.7 | 0 | 0 | 0 | 111.9 | L913 E967 V968 I969 S974 Y975 | L913-L971 HydrophobicContact CD1-CB 4.21Å; L913-L971 HydrophobicContact CD1-CD2 4.07Å; L913-L971 HydrophobicContact CD1-CG 3.98Å; E967-L971 PolarHBondContact O-N 3.05Å; E967-L971 VanDerWaalsContact O-N 3.17Å; V968-L971 WeakPolarHBondContact O-CB 3.46Å; V968-L971 PolarHBondContact O-N 2.79Å; I969-L971 VanDerWaalsContact C-N 3.33Å; I969-L971 PolarHBondContact O-N 2.82Å; L971-S974 WeakPolarHBondContact O-CB 3.26Å; L971-S974 PolarHBondContact O-N 2.7Å; L971-Y975 PolarHBondContact O-N 3.4Å; L971-Y975 VanDerWaalsContact O-N 3.09Å |
| 972 | A | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L913 L917 V968 I969 S974 Y975 L976 I1011 | L913-A972 HydrophobicContact CD1-CB 4.28Å; L917-A972 HydrophobicContact CD1-CB 4.44Å; V968-A972 PolarHBondContact O-N 2.91Å; I969-A972 PolarHBondContact O-N 3.15Å; A972-S974 PolarHBondContact O-N 3.02Å; A972-Y975 WeakPolarHBondContact O-CB 3.4Å; A972-Y975 PolarHBondContact O-N 3.42Å; A972-L976 WeakPolarHBondContact O-CG 3.29Å; A972-L976 PolarHBondContact O-N 3.19Å; A972-I1011 HydrophobicContact CB-CG2 3.97Å |
| 973 | R | 89.5 | Confident | 82.7 | Confident | 133 Ų | 133 | 74 Ų | 74 | 50% | 0.502 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.4 | -34.3 | 176.3 | -70.1 | 168.5 | 174.8 | 174.5 | -5.3 | 112.6 | I969 L977 E1019 | I969-R973 VanDerWaalsContact CG2-CZ 3.48Å; I969-R973 WeakPolarHBondContact O-CB 3.37Å; I969-R973 VanDerWaalsContact O-CG 3.3Å; I969-R973 WeakPolarHBondContact O-CG 3.37Å; I969-R973 PolarHBondContact O-N 3.38Å; R973-L977 PolarHBondContact O-N 3.12Å; R973-E1019 IonicContact CZ-OE1 3.6Å; R973-E1019 IonicContact CZ-OE2 2.68Å; R973-E1019 IonicContact NH1-OE1 2.73Å; R973-E1019 IonicContact NH2-OE1 3.94Å; R973-E1019 PolarHBondContact NH2-OE1 2.95Å; R973-E1019 IonicContact NH2-OE2 3.16Å; R973-E1019 PolarHBondContact NH2-OE2 3.48Å |
| 974 | S | 86.1 | Confident | 80.9 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.5 | -24.3 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 114.3 | K829 Q970 L971 A972 | K829-S974 PolarHBondContact NZ-O 3.35Å; Q970-S974 WeakPolarHBondContact O-CB 3.38Å; Q970-S974 PolarHBondContact O-N 3.03Å; Q970-S974 VanDerWaalsContact O-N 3.15Å; L971-S974 WeakPolarHBondContact O-CB 3.26Å; L971-S974 PolarHBondContact O-N 2.7Å; A972-S974 PolarHBondContact O-N 3.02Å |
| 975 | Y | 84.4 | Confident | 79 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 7% | 0.071 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -77.8 | -50.8 | 172.1 | -171.8 | -89 | 0 | 0 | 0 | 111 | K829 W910 L913 L971 A972 L977 Q978 Q979 I1007 I1011 | K829-Y975 HydrophobicContact CD-CD2 4.2Å; K829-Y975 HydrophobicContact CD-CE2 4.37Å; W910-Y975 HydrophobicContact CB-CE2 3.68Å; L913-Y975 HydrophobicContact CD2-CD2 4.36Å; L913-Y975 HydrophobicContact CD2-CG 4.12Å; L971-Y975 PolarHBondContact O-N 3.4Å; L971-Y975 VanDerWaalsContact O-N 3.09Å; A972-Y975 WeakPolarHBondContact O-CB 3.4Å; A972-Y975 PolarHBondContact O-N 3.42Å; Y975-L977 VanDerWaalsContact C-N 3.29Å; Y975-L977 PolarHBondContact O-N 2.9Å; Y975-Q978 PolarHBondContact O-N 2.76Å; Y975-Q979 VanDerWaalsContact CE1-CD 3.49Å; Y975-Q979 HydrophobicContact CE1-CG 4.38Å; Y975-Q979 PolarHBondContact OH-NE2 3.35Å; Y975-I1007 HydrophobicContact CE1-CG2 4.46Å; Y975-I1011 HydrophobicContact CD1-CD1 3.59Å; Y975-I1011 HydrophobicContact CD1-CG2 4.37Å; Y975-I1011 HydrophobicContact CE1-CD1 3.44Å; Y975-I1011 VanDerWaalsContact CE1-CD1 3.44Å; Y975-I1011 HydrophobicContact CG-CD1 4.2Å |
| 976 | L | 84.1 | Confident | 76.6 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 17% | 0.168 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.6 | -30.4 | -174.8 | -64.9 | 170.9 | 0 | 0 | 0 | 113.8 | A972 Q978 Q979 G1008 I1011 K1012 | A972-L976 WeakPolarHBondContact O-CG 3.29Å; A972-L976 PolarHBondContact O-N 3.19Å; L976-Q978 PolarHBondContact O-N 3.24Å; L976-Q979 PolarHBondContact O-N 3.24Å; L976-G1008 WeakPolarHBondContact CD2-O 3.45Å; L976-I1011 HydrophobicContact CD1-CG2 4.38Å; L976-I1011 HydrophobicContact CD2-CB 4.24Å; L976-I1011 HydrophobicContact CD2-CG2 4.03Å; L976-I1011 HydrophobicContact CG-CG2 4.08Å; L976-K1012 HydrophobicContact CD1-CB 3.96Å; L976-K1012 HydrophobicContact CD1-CG 4.38Å; L976-K1012 HydrophobicContact CD2-CB 4.12Å |
| 977 | L | 81.4 | Confident | 74.2 | Confident | 150 Ų | 150 | 85.9 Ų | 85.9 | 79% | 0.785 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -12.8 | 178.1 | -170.4 | 62.6 | 0 | 0 | 0 | 114.4 | R973 Y975 | R973-L977 PolarHBondContact O-N 3.12Å; Y975-L977 VanDerWaalsContact C-N 3.29Å; Y975-L977 PolarHBondContact O-N 2.9Å |
| 978 | Q | 70.2 | Confident | 71.9 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 7.6 | -176 | -64.9 | -177.1 | -19.1 | 0 | 0 | 114.6 | Y975 L976 | Y975-Q978 PolarHBondContact O-N 2.76Å; L976-Q978 PolarHBondContact O-N 3.24Å |
| 979 | Q | 68.1 | Low | 69.7 | Low | 27 Ų | 27 | 90.3 Ų | 90.3 | 13% | 0.126 | 47% | 0.473 | C | S | . | . | trans | -114.9 | 137.4 | 178.7 | -71.3 | -166.9 | -26.2 | 0 | 0 | 112.8 | Y975 L976 L981 S1004 | Y975-Q979 VanDerWaalsContact CE1-CD 3.49Å; Y975-Q979 HydrophobicContact CE1-CG 4.38Å; Y975-Q979 PolarHBondContact OH-NE2 3.35Å; L976-Q979 PolarHBondContact O-N 3.24Å; Q979-L981 HydrophobicContact CB-CD2 4.36Å; Q979-L981 PolarHBondContact O-N 3Å; Q979-S1004 PolarHBondContact OE1-O 3.48Å | ||
| 980 | D | 66.9 | Low | 67.5 | Low | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | trans | -89.6 | 87.2 | 177.2 | -165.6 | -8.1 | 0 | 0 | 0 | 111.7 | R982 R1005 | D980-R982 PolarHBondContact O-N 3.44Å; D980-R982 VanDerWaalsContact O-N 3.17Å; D980-R982 VanDerWaalsContact OD1-CB 3.29Å; D980-R982 WeakPolarHBondContact OD1-CB 3.36Å; D980-R982 WeakPolarHBondContact OD1-CG 3.47Å; D980-R982 IonicContact OD1-CZ 3.72Å; D980-R982 PolarHBondContact OD1-N 3.2Å; D980-R982 VanDerWaalsContact OD1-N 3.17Å; D980-R982 IonicContact OD1-NE 2.65Å; D980-R982 PolarHBondContact OD1-NE 2.97Å; D980-R982 IonicContact OD1-NH2 3Å; D980-R982 IonicContact OD2-CZ 2.87Å; D980-R982 IonicContact OD2-NE 3.75Å; D980-R982 PolarHBondContact OD2-NE 3.33Å; D980-R982 IonicContact OD2-NH2 2.66Å; D980-R982 PolarHBondContact OD2-NH2 2.97Å; D980-R1005 PolarHBondContact O-NE 2.92Å | ||
| 981 | L | 70.7 | Confident | 65 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 22% | 0.215 | 50% | 0.503 | C | S | . | . | trans | -69 | -2.1 | 178.7 | -54.4 | -178.9 | 0 | 0 | 0 | 114 | Q979 K1012 | Q979-L981 HydrophobicContact CB-CD2 4.36Å; Q979-L981 PolarHBondContact O-N 3Å; L981-K1012 HydrophobicContact CD1-CD 4.29Å | ||
| 982 | R | 67.6 | Low | 62.9 | Low | 174 Ų | 174 | 95.8 Ų | 95.8 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 131.3 | -175.3 | -64.1 | 174.9 | -66.3 | 178.2 | 2.5 | 111.3 | D980 R1005 | D980-R982 PolarHBondContact O-N 3.44Å; D980-R982 VanDerWaalsContact O-N 3.17Å; D980-R982 VanDerWaalsContact OD1-CB 3.29Å; D980-R982 WeakPolarHBondContact OD1-CB 3.36Å; D980-R982 WeakPolarHBondContact OD1-CG 3.47Å; D980-R982 IonicContact OD1-CZ 3.72Å; D980-R982 PolarHBondContact OD1-N 3.2Å; D980-R982 VanDerWaalsContact OD1-N 3.17Å; D980-R982 IonicContact OD1-NE 2.65Å; D980-R982 PolarHBondContact OD1-NE 2.97Å; D980-R982 IonicContact OD1-NH2 3Å; D980-R982 IonicContact OD2-CZ 2.87Å; D980-R982 IonicContact OD2-NE 3.75Å; D980-R982 PolarHBondContact OD2-NE 3.33Å; D980-R982 IonicContact OD2-NH2 2.66Å; D980-R982 PolarHBondContact OD2-NH2 2.97Å; R982-R1005 PolarHBondContact O-NE 3.04Å; R982-R1005 PolarHBondContact O-NH2 2.92Å |
| 983 | P | 56.6 | Low | 60.9 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 71% | 0.714 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 150.5 | 170.1 | -25.7 | 35.2 | 0 | 0 | 0 | 112.5 | I985 | P983-I985 PolarHBondContact O-N 3.32Š|
| 984 | S | 50.8 | Low | 59.2 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 120.8 | 174.4 | -158.5 | 0 | 0 | 0 | 0 | 110 | ||
| 985 | I | 51.9 | Low | 57.9 | Low | 165 Ų | 165 | 104.7 Ų | 104.7 | 85% | 0.846 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.8 | 165.2 | -58 | 176.4 | 0 | 0 | 0 | 107.5 | P983 | P983-I985 PolarHBondContact O-N 3.32Š|
| 986 | L | 42.5 | Very low | 56.6 | Low | 148 Ų | 148 | 112 Ų | 112 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 145.4 | -168.6 | -72.5 | 152.6 | 0 | 0 | 0 | 113.2 | ||
| 987 | D | 40.1 | Very low | 55.5 | Low | 144 Ų | 144 | 113.5 Ų | 113.5 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | trans | -140.9 | 101.3 | 152.1 | -149.1 | -4.4 | 0 | 0 | 0 | 107.8 | T989 | D987-T989 PolarHBondContact O-N 3.2Š| ||
| 988 | P | 43.5 | Very low | 54.7 | Low | 92 Ų | 92 | 110 Ų | 110 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | trans | -95.6 | 63 | -151.5 | 37.4 | -38.7 | 0 | 0 | 0 | 114.4 | ||||
| 989 | T | 47.5 | Very low | 54.5 | Low | 112 Ų | 112 | 110.3 Ų | 110.3 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -137.6 | 21.3 | -173.2 | 63.8 | 0 | 0 | 0 | 0 | 117.3 | D987 | D987-T989 PolarHBondContact O-N 3.2Š|
| 990 | D | 45.6 | Very low | 54.4 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | trans | -148.6 | 57.5 | 176.1 | -82.7 | -36.6 | 0 | 0 | 0 | 112.1 | A992 K994 | D990-A992 PolarHBondContact O-N 2.93Å; D990-K994 HydrophobicContact CB-CD 4.09Å; D990-K994 VanDerWaalsContact CG-NZ 3.26Å; D990-K994 IonicContact OD2-NZ 3.86Å; D990-K994 PolarHBondContact OD2-NZ 3.48Å | ||
| 991 | E | 36.9 | Very low | 54.5 | Low | 172 Ų | 172 | 110.4 Ų | 110.4 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -98.7 | 68.3 | -171.6 | -63.9 | -77.8 | 122 | 0 | 0 | 112.2 | ||||
| 992 | A | 46.7 | Very low | 54.6 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -148.5 | -58.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D990 | D990-A992 PolarHBondContact O-N 2.93Š|
| 993 | D | 49 | Very low | 54.9 | Low | 166 Ų | 166 | 107.4 Ų | 107.4 | 89% | 0.888 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -99.6 | 18 | -170.1 | -60.4 | -50.9 | 0 | 0 | 0 | 114.3 | ||
| 994 | K | 52.9 | Low | 55.8 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | trans | -115.7 | -2.6 | -168.9 | -64.9 | -174.2 | -175.8 | 175.8 | 0 | 115.7 | D990 E996 Q998 | D990-K994 HydrophobicContact CB-CD 4.09Å; D990-K994 VanDerWaalsContact CG-NZ 3.26Å; D990-K994 IonicContact OD2-NZ 3.86Å; D990-K994 PolarHBondContact OD2-NZ 3.48Å; K994-E996 PolarHBondContact O-N 3.1Å; K994-Q998 WeakPolarHBondContact O-CB 3.35Å; K994-Q998 PolarHBondContact O-N 3Å; K994-Q998 VanDerWaalsContact O-N 3.15Å | ||
| 995 | D | 59.1 | Low | 57.1 | Low | 110 Ų | 110 | 102 Ų | 102 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -48.2 | -166.9 | -92.1 | -33.6 | 0 | 0 | 0 | 114.4 | A997 Q998 Q999 | D995-A997 PolarHBondContact O-N 3.25Å; D995-Q998 PolarHBondContact O-N 2.87Å; D995-Q999 VanDerWaalsContact O-CB 3.26Å; D995-Q999 WeakPolarHBondContact O-CB 3.24Å; D995-Q999 PolarHBondContact O-N 2.87Å |
| 996 | E | 57.8 | Low | 58.6 | Low | 172 Ų | 172 | 101.9 Ų | 101.9 | 80% | 0.804 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | -174.9 | -63.6 | -167.7 | 137.7 | 0 | 0 | 112.8 | K994 Q998 Q999 A1000 | K994-E996 PolarHBondContact O-N 3.1Å; E996-Q998 VanDerWaalsContact C-N 3.34Å; E996-Q998 PolarHBondContact O-N 3.43Å; E996-Q999 PolarHBondContact O-N 3.2Å; E996-A1000 WeakPolarHBondContact O-CB 3.5Å; E996-A1000 PolarHBondContact O-N 3.43Å |
| 997 | A | 59.9 | Low | 60.5 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D995 K1001 | D995-A997 PolarHBondContact O-N 3.25Å; A997-K1001 WeakPolarHBondContact O-CG 3.03Å; A997-K1001 PolarHBondContact O-N 2.97Å |
| 998 | Q | 64.6 | Low | 62.7 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.7 | -36.5 | 174.8 | -167.2 | 74.1 | -45.6 | 0 | 0 | 111.4 | K994 D995 E996 K1001 K1002 | K994-Q998 WeakPolarHBondContact O-CB 3.35Å; K994-Q998 PolarHBondContact O-N 3Å; K994-Q998 VanDerWaalsContact O-N 3.15Å; D995-Q998 PolarHBondContact O-N 2.87Å; E996-Q998 VanDerWaalsContact C-N 3.34Å; E996-Q998 PolarHBondContact O-N 3.43Å; Q998-K1001 PolarHBondContact O-N 3.44Å; Q998-K1002 WeakPolarHBondContact O-CG 3.07Å; Q998-K1002 PolarHBondContact O-N 2.76Å |
| 999 | Q | 66.5 | Low | 64.7 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.3 | -169.6 | 68.3 | -2.8 | 0 | 0 | 112 | D995 E996 K1001 K1002 E1003 | D995-Q999 VanDerWaalsContact O-CB 3.26Å; D995-Q999 WeakPolarHBondContact O-CB 3.24Å; D995-Q999 PolarHBondContact O-N 2.87Å; E996-Q999 PolarHBondContact O-N 3.2Å; Q999-K1001 VanDerWaalsContact C-N 3.34Å; Q999-K1001 PolarHBondContact O-N 2.91Å; Q999-K1002 PolarHBondContact O-N 2.92Å; Q999-K1002 VanDerWaalsContact OE1-CD 3.25Å; Q999-E1003 PolarHBondContact O-N 3.37Å |
| 1000 | A | 65.5 | Low | 66.7 | Low | 5 Ų | 5 | 85.3 Ų | 85.3 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A832 E996 E1003 S1004 | A832-A1000 HydrophobicContact CB-CB 3.64Å; E996-A1000 WeakPolarHBondContact O-CB 3.5Å; E996-A1000 PolarHBondContact O-N 3.43Å; A1000-E1003 PolarHBondContact O-N 3.19Å; A1000-S1004 PolarHBondContact O-N 2.95Å |
| 1001 | K | 69.9 | Low | 68.8 | Low | 106 Ų | 106 | 80.6 Ų | 80.6 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -38 | 173 | -71.6 | 172.6 | -178 | 173.9 | 0 | 113 | A832 A997 Q998 Q999 E1003 S1004 R1005 | A832-K1001 HydrophobicContact CB-CG 4.49Å; A997-K1001 WeakPolarHBondContact O-CG 3.03Å; A997-K1001 PolarHBondContact O-N 2.97Å; Q998-K1001 PolarHBondContact O-N 3.44Å; Q999-K1001 VanDerWaalsContact C-N 3.34Å; Q999-K1001 PolarHBondContact O-N 2.91Å; K1001-E1003 VanDerWaalsContact C-N 3.32Å; K1001-S1004 PolarHBondContact O-N 3.33Å; K1001-R1005 WeakPolarHBondContact O-CG 3.31Å; K1001-R1005 PolarHBondContact O-N 3.28Å; K1001-R1005 VanDerWaalsContact O-N 3.09Å |
| 1002 | K | 72.7 | Confident | 71.3 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 170.8 | -73.1 | 167.1 | -174.4 | 167 | 0 | 110.6 | Q998 Q999 R1005 R1006 | Q998-K1002 WeakPolarHBondContact O-CG 3.07Å; Q998-K1002 PolarHBondContact O-N 2.76Å; Q999-K1002 PolarHBondContact O-N 2.92Å; Q999-K1002 VanDerWaalsContact OE1-CD 3.25Å; K1002-R1005 PolarHBondContact O-N 3.1Å; K1002-R1006 PolarHBondContact O-N 2.9Å |
| 1003 | E | 73.6 | Confident | 73.3 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69 | -39 | 179.5 | -166 | 59 | -153.8 | 0 | 0 | 113 | V831 Q999 A1000 K1001 R1005 R1006 I1007 | V831-E1003 HydrophobicContact CG1-CG 4.35Å; Q999-E1003 PolarHBondContact O-N 3.37Å; A1000-E1003 PolarHBondContact O-N 3.19Å; K1001-E1003 VanDerWaalsContact C-N 3.32Å; E1003-R1005 VanDerWaalsContact C-N 3.3Å; E1003-R1005 PolarHBondContact O-N 3.2Å; E1003-R1006 WeakPolarHBondContact O-CB 3.34Å; E1003-R1006 PolarHBondContact O-N 3.46Å; E1003-R1006 VanDerWaalsContact O-N 3.11Å; E1003-R1006 IonicContact OE1-NH1 2.72Å; E1003-R1006 PolarHBondContact OE1-NH1 2.99Å; E1003-R1006 VanDerWaalsContact OE2-CD 3.31Å; E1003-R1006 WeakPolarHBondContact OE2-CD 3.3Å; E1003-R1006 IonicContact OE2-NH1 3.95Å; E1003-R1006 PolarHBondContact OE2-NH1 3.15Å; E1003-I1007 HydrophobicContact CG-CD1 4.47Å; E1003-I1007 PolarHBondContact O-N 2.88Å |
| 1004 | S | 74.7 | Confident | 75.3 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 173.1 | -147 | 0 | 0 | 0 | 0 | 111.7 | D830 V831 Q979 A1000 K1001 G1008 | D830-S1004 WeakPolarHBondContact OD1-CB 3.31Å; D830-S1004 PolarHBondContact OD1-OG 2.63Å; V831-S1004 PolarHBondContact N-OG 3Å; Q979-S1004 PolarHBondContact OE1-O 3.48Å; A1000-S1004 PolarHBondContact O-N 2.95Å; K1001-S1004 PolarHBondContact O-N 3.33Å; S1004-G1008 PolarHBondContact O-N 3.34Å |
| 1005 | R | 78.6 | Confident | 77.3 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 22% | 0.223 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 171.7 | -70.4 | 177.7 | -179.5 | 139.3 | -4.6 | 112.7 | D980 R982 K1001 K1002 E1003 G1008 H1009 | D980-R1005 PolarHBondContact O-NE 2.92Å; R982-R1005 PolarHBondContact O-NE 3.04Å; R982-R1005 PolarHBondContact O-NH2 2.92Å; K1001-R1005 WeakPolarHBondContact O-CG 3.31Å; K1001-R1005 PolarHBondContact O-N 3.28Å; K1001-R1005 VanDerWaalsContact O-N 3.09Å; K1002-R1005 PolarHBondContact O-N 3.1Å; E1003-R1005 VanDerWaalsContact C-N 3.3Å; E1003-R1005 PolarHBondContact O-N 3.2Å; R1005-G1008 PolarHBondContact O-N 3.05Å; R1005-H1009 PolarHBondContact O-CD2 3.06Å; R1005-H1009 PolarHBondContact O-N 2.84Å |
| 1006 | R | 82.5 | Confident | 78.8 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.5 | -48.4 | 179.3 | -172.6 | -170.9 | -179.3 | -162.5 | 0.4 | 111.6 | K1002 E1003 G1008 H1009 M1010 | K1002-R1006 PolarHBondContact O-N 2.9Å; E1003-R1006 WeakPolarHBondContact O-CB 3.34Å; E1003-R1006 PolarHBondContact O-N 3.46Å; E1003-R1006 VanDerWaalsContact O-N 3.11Å; E1003-R1006 IonicContact OE1-NH1 2.72Å; E1003-R1006 PolarHBondContact OE1-NH1 2.99Å; E1003-R1006 VanDerWaalsContact OE2-CD 3.31Å; E1003-R1006 WeakPolarHBondContact OE2-CD 3.3Å; E1003-R1006 IonicContact OE2-NH1 3.95Å; E1003-R1006 PolarHBondContact OE2-NH1 3.15Å; R1006-G1008 VanDerWaalsContact C-N 3.32Å; R1006-G1008 PolarHBondContact O-N 2.89Å; R1006-H1009 PolarHBondContact O-N 3.21Å; R1006-M1010 WeakPolarHBondContact O-CB 3.32Å; R1006-M1010 PolarHBondContact O-N 2.87Å |
| 1007 | I | 84.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 176.8 | -70.1 | 172.1 | 0 | 0 | 0 | 110.9 | V831 W910 Y975 E1003 M1010 I1011 | V831-I1007 HydrophobicContact CG2-CD1 3.93Å; W910-I1007 HydrophobicContact CD2-CD1 4.14Å; W910-I1007 HydrophobicContact CD2-CG2 4.03Å; W910-I1007 HydrophobicContact CE3-CD1 4Å; W910-I1007 HydrophobicContact CE3-CG1 4.27Å; W910-I1007 HydrophobicContact CE3-CG2 3.56Å; W910-I1007 HydrophobicContact CH2-CD1 3.62Å; W910-I1007 HydrophobicContact CH2-CG1 4.28Å; W910-I1007 HydrophobicContact CZ2-CD1 3.77Å; W910-I1007 HydrophobicContact CZ3-CD1 3.73Å; W910-I1007 HydrophobicContact CZ3-CG1 3.97Å; W910-I1007 HydrophobicContact CZ3-CG2 4.09Å; Y975-I1007 HydrophobicContact CE1-CG2 4.46Å; E1003-I1007 HydrophobicContact CG-CD1 4.47Å; E1003-I1007 PolarHBondContact O-N 2.88Å; I1007-M1010 PolarHBondContact O-N 3.31Å; I1007-I1011 HydrophobicContact CG2-CD1 3.81Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.16Å; I1007-I1011 PolarHBondContact O-N 3Å |
| 1008 | G | 86.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | L976 S1004 R1005 R1006 K1012 | L976-G1008 WeakPolarHBondContact CD2-O 3.45Å; S1004-G1008 PolarHBondContact O-N 3.34Å; R1005-G1008 PolarHBondContact O-N 3.05Å; R1006-G1008 VanDerWaalsContact C-N 3.32Å; R1006-G1008 PolarHBondContact O-N 2.89Å; G1008-K1012 WeakPolarHBondContact O-CB 3.38Å; G1008-K1012 PolarHBondContact O-N 3.23Å |
| 1009 | H | 85.4 | Confident | 83.5 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 173 | -76.5 | -64.7 | 0 | 0 | 0 | 112.1 | R1005 R1006 K1012 N1013 | R1005-H1009 PolarHBondContact O-CD2 3.06Å; R1005-H1009 PolarHBondContact O-N 2.84Å; R1006-H1009 PolarHBondContact O-N 3.21Å; H1009-K1012 PolarHBondContact O-N 2.79Å; H1009-N1013 VanDerWaalsContact O-CB 3.3Å; H1009-N1013 WeakPolarHBondContact O-CB 3.39Å; H1009-N1013 PolarHBondContact O-N 3.06Å; H1009-N1013 PolarHBondContact O-OD1 3.18Å; H1009-N1013 VanDerWaalsContact O-OD1 3.11Å |
| 1010 | M | 87.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 176 | -168.9 | 168.9 | 77.6 | 0 | 0 | 111.3 | W910 T914 R1006 I1007 K1012 N1013 D1014 | W910-M1010 HydrophobicContact CZ3-CE 4.15Å; T914-M1010 HydrophobicContact CG2-CE 3.61Å; R1006-M1010 WeakPolarHBondContact O-CB 3.32Å; R1006-M1010 PolarHBondContact O-N 2.87Å; I1007-M1010 PolarHBondContact O-N 3.31Å; M1010-K1012 PolarHBondContact O-N 2.76Å; M1010-N1013 PolarHBondContact O-N 3.36Å; M1010-D1014 WeakPolarHBondContact O-CB 3.13Å; M1010-D1014 VanDerWaalsContact O-CG 3.29Å; M1010-D1014 PolarHBondContact O-N 3.42Å |
| 1011 | I | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -32.8 | 177.2 | -69.8 | 166.1 | 0 | 0 | 0 | 111.9 | L913 T914 L917 A972 Y975 L976 I1007 S1015 | L913-I1011 HydrophobicContact CD2-CD1 4.08Å; L913-I1011 HydrophobicContact CD2-CG1 4.46Å; L913-I1011 HydrophobicContact CD2-CG2 3.94Å; T914-I1011 HydrophobicContact CG2-CD1 4.07Å; T914-I1011 HydrophobicContact CG2-CG1 3.53Å; L917-I1011 HydrophobicContact CD1-CG2 4.42Å; A972-I1011 HydrophobicContact CB-CG2 3.97Å; Y975-I1011 HydrophobicContact CD1-CD1 3.59Å; Y975-I1011 HydrophobicContact CD1-CG2 4.37Å; Y975-I1011 HydrophobicContact CE1-CD1 3.44Å; Y975-I1011 VanDerWaalsContact CE1-CD1 3.44Å; Y975-I1011 HydrophobicContact CG-CD1 4.2Å; L976-I1011 HydrophobicContact CD1-CG2 4.38Å; L976-I1011 HydrophobicContact CD2-CB 4.24Å; L976-I1011 HydrophobicContact CD2-CG2 4.03Å; L976-I1011 HydrophobicContact CG-CG2 4.08Å; I1007-I1011 HydrophobicContact CG2-CD1 3.81Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.16Å; I1007-I1011 PolarHBondContact O-N 3Å; I1011-S1015 WeakPolarHBondContact O-CB 3.47Å; I1011-S1015 PolarHBondContact O-N 2.94Å |
| 1012 | K | 89.9 | Confident | 87.1 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.3 | -56.3 | 171.7 | -176.1 | -177.2 | -179.4 | -61.4 | 0 | 111.2 | L976 L981 G1008 H1009 M1010 D1014 S1015 D1016 | L976-K1012 HydrophobicContact CD1-CB 3.96Å; L976-K1012 HydrophobicContact CD1-CG 4.38Å; L976-K1012 HydrophobicContact CD2-CB 4.12Å; L981-K1012 HydrophobicContact CD1-CD 4.29Å; G1008-K1012 WeakPolarHBondContact O-CB 3.38Å; G1008-K1012 PolarHBondContact O-N 3.23Å; H1009-K1012 PolarHBondContact O-N 2.79Å; M1010-K1012 PolarHBondContact O-N 2.76Å; K1012-D1014 VanDerWaalsContact C-N 3.32Å; K1012-D1014 PolarHBondContact O-N 2.94Å; K1012-S1015 PolarHBondContact O-N 3.31Å; K1012-S1015 VanDerWaalsContact O-N 3.16Å; K1012-D1016 WeakPolarHBondContact CG-OD2 3.47Å; K1012-D1016 IonicContact NZ-OD2 2.82Å; K1012-D1016 PolarHBondContact NZ-OD2 3.2Å; K1012-D1016 WeakPolarHBondContact O-CB 3.2Å; K1012-D1016 PolarHBondContact O-N 2.99Å |
| 1013 | N | 89.4 | Confident | 88 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -41.2 | -175.8 | -67.9 | 3.6 | 0 | 0 | 0 | 112 | H1009 M1010 D1016 R1017 | H1009-N1013 VanDerWaalsContact O-CB 3.3Å; H1009-N1013 WeakPolarHBondContact O-CB 3.39Å; H1009-N1013 PolarHBondContact O-N 3.06Å; H1009-N1013 PolarHBondContact O-OD1 3.18Å; H1009-N1013 VanDerWaalsContact O-OD1 3.11Å; M1010-N1013 PolarHBondContact O-N 3.36Å; N1013-D1016 PolarHBondContact O-N 3.3Å; N1013-R1017 WeakPolarHBondContact O-CB 3.36Å; N1013-R1017 PolarHBondContact O-N 2.86Å |
| 1014 | D | 91.3 | Very high | 88.7 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 177.7 | -65.1 | -18.2 | 0 | 0 | 0 | 111.5 | L917 I921 M1010 K1012 L1018 | L917-D1014 HydrophobicContact CB-CB 4.07Å; L917-D1014 HydrophobicContact CD1-CB 4.04Å; L917-D1014 HydrophobicContact CG-CB 4.5Å; I921-D1014 HydrophobicContact CD1-CB 4.09Å; M1010-D1014 WeakPolarHBondContact O-CB 3.13Å; M1010-D1014 VanDerWaalsContact O-CG 3.29Å; M1010-D1014 PolarHBondContact O-N 3.42Å; K1012-D1014 VanDerWaalsContact C-N 3.32Å; K1012-D1014 PolarHBondContact O-N 2.94Å; D1014-L1018 VanDerWaalsContact O-CB 3.27Å; D1014-L1018 WeakPolarHBondContact O-CB 3.29Å; D1014-L1018 PolarHBondContact O-N 3.12Å |
| 1015 | S | 93.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69 | -39.8 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | I1011 K1012 E1019 | I1011-S1015 WeakPolarHBondContact O-CB 3.47Å; I1011-S1015 PolarHBondContact O-N 2.94Å; K1012-S1015 PolarHBondContact O-N 3.31Å; K1012-S1015 VanDerWaalsContact O-N 3.16Å; S1015-E1019 PolarHBondContact O-N 2.74Å |
| 1016 | D | 91.9 | Very high | 90.2 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.2 | -46.8 | 178.7 | -63.2 | -13.1 | 0 | 0 | 0 | 109.8 | K1012 N1013 L1018 E1019 E1020 | K1012-D1016 WeakPolarHBondContact CG-OD2 3.47Å; K1012-D1016 IonicContact NZ-OD2 2.82Å; K1012-D1016 PolarHBondContact NZ-OD2 3.2Å; K1012-D1016 WeakPolarHBondContact O-CB 3.2Å; K1012-D1016 PolarHBondContact O-N 2.99Å; N1013-D1016 PolarHBondContact O-N 3.3Å; D1016-L1018 VanDerWaalsContact C-N 3.33Å; D1016-L1018 PolarHBondContact O-N 2.81Å; D1016-E1019 PolarHBondContact O-N 2.91Å; D1016-E1019 VanDerWaalsContact O-N 3.08Å; D1016-E1020 WeakPolarHBondContact O-CG 3.31Å; D1016-E1020 PolarHBondContact O-N 2.84Å |
| 1017 | R | 92.5 | Very high | 90.5 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 42% | 0.423 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 174.7 | 176 | 177.2 | 175.4 | -174.9 | 1.7 | 112.3 | I921 E925 N1013 E1019 L1021 | I921-R1017 HydrophobicContact CD1-CG 4.48Å; E925-R1017 IonicContact OE1-CZ 2.7Å; E925-R1017 IonicContact OE1-NE 2.62Å; E925-R1017 PolarHBondContact OE1-NE 2.93Å; E925-R1017 IonicContact OE1-NH2 3.78Å; E925-R1017 PolarHBondContact OE1-NH2 3.46Å; E925-R1017 IonicContact OE2-NH2 2.9Å; E925-R1017 PolarHBondContact OE2-NH2 3.45Å; N1013-R1017 WeakPolarHBondContact O-CB 3.36Å; N1013-R1017 PolarHBondContact O-N 2.86Å; R1017-E1019 VanDerWaalsContact C-N 3.34Å; R1017-L1021 HydrophobicContact CG-CD1 3.63Å; R1017-L1021 HydrophobicContact CG-CG 4.17Å; R1017-L1021 VanDerWaalsContact O-CB 3.28Å; R1017-L1021 WeakPolarHBondContact O-CB 3.19Å; R1017-L1021 VanDerWaalsContact O-CG 3.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.24Å; R1017-L1021 PolarHBondContact O-N 2.88Å |
| 1018 | L | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 176.3 | 179.5 | 59.6 | 0 | 0 | 0 | 111.9 | L917 L920 I921 V965 I969 D1014 D1016 W1022 | L917-L1018 HydrophobicContact CD2-CD2 3.93Å; L920-L1018 HydrophobicContact CB-CD1 3.79Å; L920-L1018 HydrophobicContact CB-CD2 3.8Å; L920-L1018 HydrophobicContact CB-CG 4.49Å; L920-L1018 HydrophobicContact CD1-CD2 4.04Å; I921-L1018 HydrophobicContact CD1-CB 4.49Å; I921-L1018 HydrophobicContact CG1-CB 3.95Å; I921-L1018 HydrophobicContact CG1-CD1 4.14Å; V965-L1018 HydrophobicContact CG1-CD1 4.49Å; V965-L1018 HydrophobicContact CG1-CD2 4.27Å; V965-L1018 HydrophobicContact CG1-CG 4.13Å; V965-L1018 HydrophobicContact CG2-CD1 4.5Å; I969-L1018 HydrophobicContact CD1-CG 4.48Å; I969-L1018 HydrophobicContact CG1-CD2 4.32Å; D1014-L1018 VanDerWaalsContact O-CB 3.27Å; D1014-L1018 WeakPolarHBondContact O-CB 3.29Å; D1014-L1018 PolarHBondContact O-N 3.12Å; D1016-L1018 VanDerWaalsContact C-N 3.33Å; D1016-L1018 PolarHBondContact O-N 2.81Å; L1018-W1022 WeakPolarHBondContact O-CB 3.34Å; L1018-W1022 PolarHBondContact O-N 2.94Å; L1018-W1022 VanDerWaalsContact O-N 3.1Å |
| 1019 | E | 93 | Very high | 91 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 177.5 | -160.9 | 159.1 | -157.2 | 0 | 0 | 111.1 | I969 R973 S1015 D1016 R1017 T1023 | I969-E1019 HydrophobicContact CD1-CB 3.99Å; I969-E1019 HydrophobicContact CD1-CG 4.21Å; R973-E1019 IonicContact CZ-OE1 3.6Å; R973-E1019 IonicContact CZ-OE2 2.68Å; R973-E1019 IonicContact NH1-OE1 2.73Å; R973-E1019 IonicContact NH2-OE1 3.94Å; R973-E1019 PolarHBondContact NH2-OE1 2.95Å; R973-E1019 IonicContact NH2-OE2 3.16Å; R973-E1019 PolarHBondContact NH2-OE2 3.48Å; S1015-E1019 PolarHBondContact O-N 2.74Å; D1016-E1019 PolarHBondContact O-N 2.91Å; D1016-E1019 VanDerWaalsContact O-N 3.08Å; R1017-E1019 VanDerWaalsContact C-N 3.34Å; E1019-T1023 PolarHBondContact O-N 3.47Å; E1019-T1023 PolarHBondContact O-OG1 2.8Å |
| 1020 | E | 91.4 | Very high | 91.3 | Very high | 136 Ų | 136 | 56.6 Ų | 56.6 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.1 | -57.7 | 174.6 | -70.8 | 172.9 | 176.8 | 0 | 0 | 112 | D1016 W1022 T1023 E1024 | D1016-E1020 WeakPolarHBondContact O-CG 3.31Å; D1016-E1020 PolarHBondContact O-N 2.84Å; E1020-W1022 VanDerWaalsContact C-N 3.27Å; E1020-W1022 PolarHBondContact O-N 2.87Å; E1020-T1023 PolarHBondContact O-N 3.26Å; E1020-T1023 VanDerWaalsContact O-N 3.08Å; E1020-T1023 PolarHBondContact O-OG1 3.01Å; E1020-E1024 PolarHBondContact O-N 3.18Å |
| 1021 | L | 92 | Very high | 91.3 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -37.3 | -179.5 | -72.8 | 172.6 | 0 | 0 | 0 | 112.6 | I921 E925 R1017 T1023 F1025 | I921-L1021 HydrophobicContact CG2-CD1 4.01Å; E925-L1021 HydrophobicContact CG-CD1 3.98Å; E925-L1021 VanDerWaalsContact OE1-CD1 3.26Å; E925-L1021 WeakPolarHBondContact OE1-CD1 3.46Å; R1017-L1021 HydrophobicContact CG-CD1 3.63Å; R1017-L1021 HydrophobicContact CG-CG 4.17Å; R1017-L1021 VanDerWaalsContact O-CB 3.28Å; R1017-L1021 WeakPolarHBondContact O-CB 3.19Å; R1017-L1021 VanDerWaalsContact O-CG 3.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.24Å; R1017-L1021 PolarHBondContact O-N 2.88Å; L1021-T1023 VanDerWaalsContact C-N 3.34Å; L1021-F1025 WeakPolarHBondContact O-CB 3.25Å; L1021-F1025 PolarHBondContact O-N 3.19Å |
| 1022 | W | 94.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 178.4 | -168.7 | -94.1 | 0 | 0 | 0 | 112.1 | W923 L958 K961 D962 V965 L1018 E1020 T1026 | W923-W1022 HydrophobicContact CE3-CH2 4.45Å; W923-W1022 AromaticContact CE3-CZ3 3.89Å; W923-W1022 HydrophobicContact CE3-CZ3 3.89Å; W923-W1022 HydrophobicContact CH2-CH2 4.5Å; W923-W1022 AromaticContact CZ3-CH2 3.72Å; W923-W1022 HydrophobicContact CZ3-CH2 3.72Å; W923-W1022 AromaticContact CZ3-CZ3 3.5Å; W923-W1022 HydrophobicContact CZ3-CZ3 3.5Å; L958-W1022 HydrophobicContact CD1-CH2 3.72Å; L958-W1022 HydrophobicContact CD1-CZ2 3.53Å; L958-W1022 HydrophobicContact CD1-CZ3 4.46Å; L958-W1022 HydrophobicContact CG-CZ2 4.21Å; K961-W1022 HydrophobicContact CB-CH2 3.62Å; K961-W1022 HydrophobicContact CB-CZ3 4.2Å; D962-W1022 HydrophobicContact CB-CZ2 4Å; V965-W1022 HydrophobicContact CB-CD2 4.45Å; V965-W1022 HydrophobicContact CG1-CB 4.44Å; V965-W1022 HydrophobicContact CG1-CD2 4.25Å; V965-W1022 HydrophobicContact CG1-CG 4.14Å; V965-W1022 HydrophobicContact CG2-CD2 3.91Å; V965-W1022 HydrophobicContact CG2-CE3 3.64Å; V965-W1022 HydrophobicContact CG2-CH2 4.18Å; V965-W1022 HydrophobicContact CG2-CZ2 4.43Å; V965-W1022 HydrophobicContact CG2-CZ3 3.75Å; L1018-W1022 WeakPolarHBondContact O-CB 3.34Å; L1018-W1022 PolarHBondContact O-N 2.94Å; L1018-W1022 VanDerWaalsContact O-N 3.1Å; E1020-W1022 VanDerWaalsContact C-N 3.27Å; E1020-W1022 PolarHBondContact O-N 2.87Å; W1022-T1026 VanDerWaalsContact O-CB 3.26Å; W1022-T1026 WeakPolarHBondContact O-CB 3.27Å; W1022-T1026 PolarHBondContact O-N 2.85Å; W1022-T1026 VanDerWaalsContact O-N 3.16Å; W1022-T1026 PolarHBondContact O-OG1 3.42Å |
| 1023 | T | 91.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.1 | -50.2 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | E1019 E1020 L1021 F1025 T1026 E1027 | E1019-T1023 PolarHBondContact O-N 3.47Å; E1019-T1023 PolarHBondContact O-OG1 2.8Å; E1020-T1023 PolarHBondContact O-N 3.26Å; E1020-T1023 VanDerWaalsContact O-N 3.08Å; E1020-T1023 PolarHBondContact O-OG1 3.01Å; L1021-T1023 VanDerWaalsContact C-N 3.34Å; T1023-F1025 PolarHBondContact O-N 2.93Å; T1023-T1026 PolarHBondContact O-N 3.43Å; T1023-E1027 PolarHBondContact O-N 3.22Å |
| 1024 | E | 89.2 | Confident | 91.6 | Very high | 100 Ų | 100 | 58.6 Ų | 58.6 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | -179.3 | -163.4 | -153.6 | 132.9 | 0 | 0 | 112 | E1020 T1026 E1027 N1028 | E1020-E1024 PolarHBondContact O-N 3.18Å; E1024-T1026 VanDerWaalsContact C-N 3.3Å; E1024-T1026 PolarHBondContact O-N 2.88Å; E1024-E1027 PolarHBondContact O-N 3.14Å; E1024-N1028 WeakPolarHBondContact O-CB 3.28Å; E1024-N1028 VanDerWaalsContact O-CG 3.3Å; E1024-N1028 PolarHBondContact O-N 2.81Å; E1024-N1028 PolarHBondContact O-ND2 3.44Å; E1024-N1028 PolarHBondContact OE1-ND2 3.4Å; E1024-N1028 VanDerWaalsContact OE1-ND2 3.15Å |
| 1025 | F | 91.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 177.8 | 173.6 | -124 | 0 | 0 | 0 | 112.2 | W923 A927 N928 L931 L954 L958 L1021 T1023 T1029 | W923-F1025 HydrophobicContact CH2-CE1 4.28Å; W923-F1025 HydrophobicContact CZ3-CE1 4.02Å; A927-F1025 HydrophobicContact CB-CE1 3.93Å; A927-F1025 HydrophobicContact CB-CE2 3.94Å; A927-F1025 HydrophobicContact CB-CZ 3.45Å; A927-F1025 VanDerWaalsContact CB-CZ 3.45Å; N928-F1025 HydrophobicContact CB-CD2 3.72Å; N928-F1025 HydrophobicContact CB-CE2 4.32Å; N928-F1025 HydrophobicContact CB-CG 4.39Å; L931-F1025 HydrophobicContact CD2-CD2 4.42Å; L931-F1025 HydrophobicContact CD2-CE2 4.25Å; L954-F1025 HydrophobicContact CD1-CZ 4.19Å; L954-F1025 HydrophobicContact CD2-CE2 4.27Å; L954-F1025 HydrophobicContact CD2-CZ 4.2Å; L954-F1025 HydrophobicContact CG-CZ 4.29Å; L958-F1025 HydrophobicContact CD1-CD1 3.86Å; L958-F1025 HydrophobicContact CD1-CE1 3.59Å; L1021-F1025 WeakPolarHBondContact O-CB 3.25Å; L1021-F1025 PolarHBondContact O-N 3.19Å; T1023-F1025 PolarHBondContact O-N 2.93Å; F1025-T1029 WeakPolarHBondContact CE2-OG1 3.44Å; F1025-T1029 VanDerWaalsContact O-CB 3.28Å; F1025-T1029 WeakPolarHBondContact O-CB 3.22Å; F1025-T1029 PolarHBondContact O-N 3.22Å; F1025-T1029 PolarHBondContact O-OG1 3.48Å |
| 1026 | T | 91.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.1 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | L958 W1022 T1023 E1024 T1029 N1030 | L958-T1026 HydrophobicContact CD2-CG2 4.39Å; W1022-T1026 VanDerWaalsContact O-CB 3.26Å; W1022-T1026 WeakPolarHBondContact O-CB 3.27Å; W1022-T1026 PolarHBondContact O-N 2.85Å; W1022-T1026 VanDerWaalsContact O-N 3.16Å; W1022-T1026 PolarHBondContact O-OG1 3.42Å; T1023-T1026 PolarHBondContact O-N 3.43Å; E1024-T1026 VanDerWaalsContact C-N 3.3Å; E1024-T1026 PolarHBondContact O-N 2.88Å; T1026-T1029 PolarHBondContact O-N 3.47Å; T1026-N1030 PolarHBondContact O-N 2.82Å; T1026-N1030 VanDerWaalsContact O-N 3.09Å; T1026-N1030 PolarHBondContact O-ND2 3.22Å |
| 1027 | E | 90.2 | Very high | 91.2 | Very high | 140 Ų | 140 | 62.2 Ų | 62.2 | 65% | 0.654 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.9 | -44 | 179.3 | -69.9 | -175.4 | 179 | 0 | 0 | 112 | T1023 E1024 T1029 N1030 S1031 | T1023-E1027 PolarHBondContact O-N 3.22Å; E1024-E1027 PolarHBondContact O-N 3.14Å; E1027-T1029 VanDerWaalsContact C-N 3.35Å; E1027-T1029 PolarHBondContact O-N 2.84Å; E1027-N1030 PolarHBondContact O-N 2.89Å; E1027-S1031 VanDerWaalsContact O-CB 3.29Å; E1027-S1031 WeakPolarHBondContact O-CB 3.38Å; E1027-S1031 PolarHBondContact O-N 3.35Å |
| 1028 | N | 89.1 | Confident | 91 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 173.9 | -73.5 | -23.5 | 0 | 0 | 0 | 111.8 | L931 E1024 S1031 W1032 | L931-N1028 HydrophobicContact CD2-CB 4.02Å; E1024-N1028 WeakPolarHBondContact O-CB 3.28Å; E1024-N1028 VanDerWaalsContact O-CG 3.3Å; E1024-N1028 PolarHBondContact O-N 2.81Å; E1024-N1028 PolarHBondContact O-ND2 3.44Å; E1024-N1028 PolarHBondContact OE1-ND2 3.4Å; E1024-N1028 VanDerWaalsContact OE1-ND2 3.15Å; N1028-S1031 PolarHBondContact O-N 2.98Å; N1028-W1032 WeakPolarHBondContact O-CB 3.38Å; N1028-W1032 PolarHBondContact O-N 2.82Å |
| 1029 | T | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | I951 L954 F1025 T1026 E1027 Q1033 | I951-T1029 HydrophobicContact CD1-CG2 3.81Å; L954-T1029 HydrophobicContact CD2-CG2 4.36Å; F1025-T1029 WeakPolarHBondContact CE2-OG1 3.44Å; F1025-T1029 VanDerWaalsContact O-CB 3.28Å; F1025-T1029 WeakPolarHBondContact O-CB 3.22Å; F1025-T1029 PolarHBondContact O-N 3.22Å; F1025-T1029 PolarHBondContact O-OG1 3.48Å; T1026-T1029 PolarHBondContact O-N 3.47Å; E1027-T1029 VanDerWaalsContact C-N 3.35Å; E1027-T1029 PolarHBondContact O-N 2.84Å; T1029-Q1033 WeakPolarHBondContact O-CB 3.42Å; T1029-Q1033 PolarHBondContact O-N 3.48Å |
| 1030 | N | 91.4 | Very high | 90.7 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 179 | -78 | -71.1 | 0 | 0 | 0 | 112.3 | T1026 E1027 K1034 | T1026-N1030 PolarHBondContact O-N 2.82Å; T1026-N1030 VanDerWaalsContact O-N 3.09Å; T1026-N1030 PolarHBondContact O-ND2 3.22Å; E1027-N1030 PolarHBondContact O-N 2.89Å; N1030-K1034 PolarHBondContact O-N 3.46Å |
| 1031 | S | 89.1 | Confident | 90.6 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | E1027 N1028 K1034 L1035 | E1027-S1031 VanDerWaalsContact O-CB 3.29Å; E1027-S1031 WeakPolarHBondContact O-CB 3.38Å; E1027-S1031 PolarHBondContact O-N 3.35Å; N1028-S1031 PolarHBondContact O-N 2.98Å; S1031-K1034 PolarHBondContact O-N 3.29Å; S1031-L1035 PolarHBondContact O-N 3.09Å |
| 1032 | W | 91.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.2 | -36.6 | -179.5 | -163.6 | 72.5 | 0 | 0 | 0 | 112.9 | L931 Q934 Q935 Q947 F950 I951 N1028 K1034 L1035 V1036 | L931-W1032 HydrophobicContact CD1-CB 4.27Å; L931-W1032 HydrophobicContact CD1-CD2 3.98Å; L931-W1032 HydrophobicContact CD1-CE3 3.48Å; L931-W1032 VanDerWaalsContact CD1-CE3 3.48Å; L931-W1032 HydrophobicContact CD1-CG 4.31Å; L931-W1032 HydrophobicContact CD1-CZ3 4.13Å; Q934-W1032 HydrophobicContact CB-CH2 3.58Å; Q934-W1032 HydrophobicContact CB-CZ2 4.1Å; Q934-W1032 HydrophobicContact CB-CZ3 4.29Å; Q934-W1032 WeakPolarHBondContact O-CZ2 3.22Å; Q935-W1032 HydrophobicContact CG-CZ2 4.35Å; Q947-W1032 HydrophobicContact CB-CH2 3.96Å; Q947-W1032 HydrophobicContact CG-CH2 4.15Å; F950-W1032 HydrophobicContact CD1-CZ3 4.05Å; F950-W1032 HydrophobicContact CE1-CZ3 4.33Å; I951-W1032 HydrophobicContact CB-CE3 4.17Å; I951-W1032 HydrophobicContact CB-CZ3 3.99Å; I951-W1032 HydrophobicContact CD1-CE3 3.86Å; I951-W1032 HydrophobicContact CD1-CZ3 4.28Å; I951-W1032 HydrophobicContact CG1-CE3 3.97Å; I951-W1032 HydrophobicContact CG1-CZ3 4.3Å; N1028-W1032 WeakPolarHBondContact O-CB 3.38Å; N1028-W1032 PolarHBondContact O-N 2.82Å; W1032-K1034 PolarHBondContact O-N 2.86Å; W1032-L1035 PolarHBondContact O-N 3.35Å; W1032-V1036 HydrophobicContact CD2-CG2 3.74Å; W1032-V1036 HydrophobicContact CE3-CG2 3.85Å; W1032-V1036 HydrophobicContact CG-CG2 4.45Å; W1032-V1036 HydrophobicContact CH2-CG2 3.81Å; W1032-V1036 HydrophobicContact CZ2-CG2 3.68Å; W1032-V1036 HydrophobicContact CZ3-CG2 3.9Å; W1032-V1036 WeakPolarHBondContact O-CG2 3.43Å; W1032-V1036 PolarHBondContact O-N 3.27Å |
| 1033 | Q | 91.7 | Very high | 90.3 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54 | -52.3 | 172.6 | -178.7 | -173.6 | -11.3 | 0 | 0 | 111.4 | I951 N955 T1029 L1035 V1036 E1037 | I951-Q1033 HydrophobicContact CG1-CB 3.71Å; I951-Q1033 HydrophobicContact CG1-CG 4.18Å; I951-Q1033 HydrophobicContact CG2-CG 4.26Å; N955-Q1033 PolarHBondContact ND2-OE1 3.4Å; T1029-Q1033 WeakPolarHBondContact O-CB 3.42Å; T1029-Q1033 PolarHBondContact O-N 3.48Å; Q1033-L1035 VanDerWaalsContact C-N 3.29Å; Q1033-L1035 PolarHBondContact O-N 2.97Å; Q1033-V1036 PolarHBondContact O-N 2.85Å; Q1033-E1037 HydrophobicContact CG-CG 4.37Å; Q1033-E1037 WeakPolarHBondContact CG-OE1 3.49Å; Q1033-E1037 PolarHBondContact NE2-OE1 2.94Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.25Å; Q1033-E1037 PolarHBondContact O-N 3.35Å |
| 1034 | K | 90.5 | Very high | 90.2 | Very high | 132 Ų | 132 | 57 Ų | 57 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57 | -45.1 | 179.6 | -179.9 | -175.5 | 170 | -172 | 0 | 111.4 | N1030 S1031 W1032 V1036 E1037 E1038 | N1030-K1034 PolarHBondContact O-N 3.46Å; S1031-K1034 PolarHBondContact O-N 3.29Å; W1032-K1034 PolarHBondContact O-N 2.86Å; K1034-V1036 PolarHBondContact O-N 2.87Å; K1034-E1037 PolarHBondContact O-N 3.01Å; K1034-E1038 WeakPolarHBondContact CE-OE1 3.48Å; K1034-E1038 IonicContact NZ-OE1 2.79Å; K1034-E1038 WeakPolarHBondContact O-CB 3.14Å; K1034-E1038 WeakPolarHBondContact O-CG 3.25Å; K1034-E1038 PolarHBondContact O-N 2.86Å |
| 1035 | L | 90 | Very high | 90.3 | Very high | 76 Ų | 76 | 56 Ų | 56 | 40% | 0.398 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 179.5 | -179 | 63.4 | 0 | 0 | 0 | 112.4 | L937 S1031 W1032 Q1033 T1039 | L937-L1035 HydrophobicContact CD1-CD1 4.19Å; L937-L1035 HydrophobicContact CD1-CD2 4.06Å; L937-L1035 HydrophobicContact CD1-CG 3.88Å; L937-L1035 HydrophobicContact CD2-CG 4.36Å; S1031-L1035 PolarHBondContact O-N 3.09Å; W1032-L1035 PolarHBondContact O-N 3.35Å; Q1033-L1035 VanDerWaalsContact C-N 3.29Å; Q1033-L1035 PolarHBondContact O-N 2.97Å; L1035-T1039 VanDerWaalsContact O-CB 3.22Å; L1035-T1039 WeakPolarHBondContact O-CB 3.21Å; L1035-T1039 PolarHBondContact O-N 3.2Å; L1035-T1039 PolarHBondContact O-OG1 2.65Å |
| 1036 | V | 89.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -47.8 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L937 Q947 N948 I951 W1032 Q1033 K1034 T1039 Y1040 | L937-V1036 HydrophobicContact CD2-CG2 3.68Å; Q947-V1036 HydrophobicContact CB-CG1 4.32Å; N948-V1036 HydrophobicContact CB-CG1 3.96Å; I951-V1036 HydrophobicContact CG2-CG1 4.4Å; W1032-V1036 HydrophobicContact CD2-CG2 3.74Å; W1032-V1036 HydrophobicContact CE3-CG2 3.85Å; W1032-V1036 HydrophobicContact CG-CG2 4.45Å; W1032-V1036 HydrophobicContact CH2-CG2 3.81Å; W1032-V1036 HydrophobicContact CZ2-CG2 3.68Å; W1032-V1036 HydrophobicContact CZ3-CG2 3.9Å; W1032-V1036 WeakPolarHBondContact O-CG2 3.43Å; W1032-V1036 PolarHBondContact O-N 3.27Å; Q1033-V1036 PolarHBondContact O-N 2.85Å; K1034-V1036 PolarHBondContact O-N 2.87Å; V1036-T1039 PolarHBondContact O-N 2.88Å; V1036-Y1040 VanDerWaalsContact O-CB 3.25Å; V1036-Y1040 WeakPolarHBondContact O-CB 3.47Å; V1036-Y1040 PolarHBondContact O-N 2.77Å |
| 1037 | E | 89.9 | Confident | 90.3 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | -179.5 | -72.8 | -179.9 | -171.6 | 0 | 0 | 112.5 | Q1033 K1034 T1041 | Q1033-E1037 HydrophobicContact CG-CG 4.37Å; Q1033-E1037 WeakPolarHBondContact CG-OE1 3.49Å; Q1033-E1037 PolarHBondContact NE2-OE1 2.94Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.25Å; Q1033-E1037 PolarHBondContact O-N 3.35Å; K1034-E1037 PolarHBondContact O-N 3.01Å; E1037-T1041 WeakPolarHBondContact O-CB 3.48Å; E1037-T1041 PolarHBondContact O-N 3.46Å; E1037-T1041 VanDerWaalsContact O-N 3.11Å; E1037-T1041 PolarHBondContact O-OG1 3.35Å |
| 1038 | E | 88.5 | Confident | 90.3 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.7 | -74.5 | -174.6 | -160.8 | 0 | 0 | 111.6 | K1034 T1041 K1042 | K1034-E1038 WeakPolarHBondContact CE-OE1 3.48Å; K1034-E1038 IonicContact NZ-OE1 2.79Å; K1034-E1038 WeakPolarHBondContact O-CB 3.14Å; K1034-E1038 WeakPolarHBondContact O-CG 3.25Å; K1034-E1038 PolarHBondContact O-N 2.86Å; E1038-T1041 PolarHBondContact O-N 3.14Å; E1038-K1042 VanDerWaalsContact O-CG 3.25Å; E1038-K1042 WeakPolarHBondContact O-CG 3.49Å; E1038-K1042 PolarHBondContact O-N 2.94Å |
| 1039 | T | 89 | Confident | 90.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -43.5 | -179 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | L937 L944 L1035 V1036 T1041 K1042 M1043 L1110 V1115 | L937-T1039 HydrophobicContact CD1-CG2 4.2Å; L944-T1039 HydrophobicContact CD1-CG2 3.87Å; L944-T1039 HydrophobicContact CD2-CG2 3.7Å; L944-T1039 HydrophobicContact CG-CG2 4.47Å; L1035-T1039 VanDerWaalsContact O-CB 3.22Å; L1035-T1039 WeakPolarHBondContact O-CB 3.21Å; L1035-T1039 PolarHBondContact O-N 3.2Å; L1035-T1039 PolarHBondContact O-OG1 2.65Å; V1036-T1039 PolarHBondContact O-N 2.88Å; T1039-T1041 VanDerWaalsContact C-N 3.3Å; T1039-T1041 PolarHBondContact O-N 3.27Å; T1039-K1042 PolarHBondContact O-N 3.41Å; T1039-M1043 WeakPolarHBondContact O-CB 3.42Å; T1039-M1043 PolarHBondContact O-N 3.46Å; T1039-L1110 HydrophobicContact CG2-CD2 4.44Å; T1039-V1115 HydrophobicContact CG2-CB 4.41Å; T1039-V1115 HydrophobicContact CG2-CG1 3.92Å; T1039-V1115 HydrophobicContact CG2-CG2 3.58Å |
| 1040 | Y | 90.5 | Very high | 90.5 | Very high | 50 Ų | 50 | 53 Ų | 53 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 175 | 176 | -108.4 | 0 | 0 | 0 | 111.1 | F941 L944 K945 V1036 K1042 M1043 M1044 | F941-Y1040 HydrophobicContact CD2-CD2 4.44Å; F941-Y1040 AromaticContact CD2-CE2 3.87Å; F941-Y1040 HydrophobicContact CD2-CE2 3.87Å; F941-Y1040 HydrophobicContact CE2-CD2 4.3Å; F941-Y1040 AromaticContact CE2-CE2 3.4Å; F941-Y1040 HydrophobicContact CE2-CE2 3.4Å; F941-Y1040 VanDerWaalsContact CE2-CE2 3.4Å; F941-Y1040 AromaticContact CE2-CZ 3.68Å; F941-Y1040 AromaticContact CZ-CE2 3.9Å; F941-Y1040 HydrophobicContact CZ-CE2 3.9Å; F941-Y1040 AromaticContact CZ-CZ 3.98Å; F941-Y1040 WeakPolarHBondContact CZ-OH 3.38Å; L944-Y1040 HydrophobicContact CB-CD2 4.15Å; K945-Y1040 HydrophobicContact CB-CE2 3.89Å; K945-Y1040 HydrophobicContact CG-CE2 4.18Å; V1036-Y1040 VanDerWaalsContact O-CB 3.25Å; V1036-Y1040 WeakPolarHBondContact O-CB 3.47Å; V1036-Y1040 PolarHBondContact O-N 2.77Å; Y1040-K1042 PolarHBondContact O-N 2.95Å; Y1040-M1043 PolarHBondContact O-N 3Å; Y1040-M1044 WeakPolarHBondContact O-CB 3.42Å; Y1040-M1044 PolarHBondContact O-N 3.5Å |
| 1041 | T | 89.9 | Confident | 90.5 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112 | E1037 E1038 T1039 L1045 | E1037-T1041 WeakPolarHBondContact O-CB 3.48Å; E1037-T1041 PolarHBondContact O-N 3.46Å; E1037-T1041 VanDerWaalsContact O-N 3.11Å; E1037-T1041 PolarHBondContact O-OG1 3.35Å; E1038-T1041 PolarHBondContact O-N 3.14Å; T1039-T1041 VanDerWaalsContact C-N 3.3Å; T1039-T1041 PolarHBondContact O-N 3.27Å; T1041-L1045 WeakPolarHBondContact O-CG 3.4Å; T1041-L1045 PolarHBondContact O-N 3.12Å |
| 1042 | K | 89.4 | Confident | 90.6 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 177.3 | -68.5 | 165.3 | -174.9 | 176.3 | 0 | 112.1 | E1038 T1039 Y1040 L1045 F1046 L1110 D1113 | E1038-K1042 VanDerWaalsContact O-CG 3.25Å; E1038-K1042 WeakPolarHBondContact O-CG 3.49Å; E1038-K1042 PolarHBondContact O-N 2.94Å; T1039-K1042 PolarHBondContact O-N 3.41Å; Y1040-K1042 PolarHBondContact O-N 2.95Å; K1042-L1045 PolarHBondContact O-N 3.07Å; K1042-F1046 PolarHBondContact O-N 3.22Å; K1042-F1046 VanDerWaalsContact O-N 3.13Å; K1042-L1110 HydrophobicContact CB-CD2 3.67Å; K1042-L1110 HydrophobicContact CB-CG 4.3Å; K1042-D1113 WeakPolarHBondContact CD-OD2 3.23Å; K1042-D1113 WeakPolarHBondContact CE-OD2 3.45Å; K1042-D1113 IonicContact NZ-OD1 2.69Å; K1042-D1113 PolarHBondContact NZ-OD1 3.39Å; K1042-D1113 IonicContact NZ-OD2 2.75Å; K1042-D1113 PolarHBondContact NZ-OD2 2.97Å |
| 1043 | M | 90.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.1 | -174.8 | 68.4 | 69.6 | 0 | 0 | 112.3 | F941 L944 T1039 Y1040 L1045 F1046 D1047 L1110 V1115 L1117 | F941-M1043 HydrophobicContact CB-CG 4.09Å; L944-M1043 HydrophobicContact CD1-CB 3.64Å; L944-M1043 HydrophobicContact CD1-CE 3.68Å; L944-M1043 HydrophobicContact CD1-CG 3.78Å; T1039-M1043 WeakPolarHBondContact O-CB 3.42Å; T1039-M1043 PolarHBondContact O-N 3.46Å; Y1040-M1043 PolarHBondContact O-N 3Å; M1043-L1045 VanDerWaalsContact C-N 3.29Å; M1043-L1045 PolarHBondContact O-N 3.3Å; M1043-F1046 WeakPolarHBondContact O-CB 3.39Å; M1043-F1046 PolarHBondContact O-N 2.97Å; M1043-F1046 HydrophobicContact SD-CD1 4Å; M1043-D1047 PolarHBondContact O-N 2.72Å; M1043-L1110 HydrophobicContact CE-CD1 4.22Å; M1043-L1110 HydrophobicContact SD-CD1 4.2Å; M1043-V1115 HydrophobicContact CE-CG1 4.27Å; M1043-L1117 HydrophobicContact CE-CD2 3.94Å |
| 1044 | M | 90.3 | Very high | 90.7 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 176.2 | -177 | -176.1 | 62.1 | 0 | 0 | 112.2 | F941 Y1040 K1048 | F941-M1044 HydrophobicContact CD2-CB 4.29Å; F941-M1044 HydrophobicContact CE2-CB 3.94Å; F941-M1044 HydrophobicContact CE2-CG 4.06Å; Y1040-M1044 WeakPolarHBondContact O-CB 3.42Å; Y1040-M1044 PolarHBondContact O-N 3.5Å; M1044-K1048 WeakPolarHBondContact O-CB 3.34Å; M1044-K1048 PolarHBondContact O-N 3Å |
| 1045 | L | 91.3 | Very high | 90.8 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 176.1 | -65.9 | 173.1 | 0 | 0 | 0 | 112.1 | T1041 K1042 M1043 K1048 A1049 H1106 | T1041-L1045 WeakPolarHBondContact O-CG 3.4Å; T1041-L1045 PolarHBondContact O-N 3.12Å; K1042-L1045 PolarHBondContact O-N 3.07Å; M1043-L1045 VanDerWaalsContact C-N 3.29Å; M1043-L1045 PolarHBondContact O-N 3.3Å; L1045-K1048 PolarHBondContact O-N 2.83Å; L1045-A1049 WeakPolarHBondContact O-CB 3.35Å; L1045-A1049 PolarHBondContact O-N 3.07Å; L1045-H1106 VanDerWaalsContact CB-CE1 3.46Å; L1045-H1106 WeakPolarHBondContact CB-CE1 3.5Å |
| 1046 | F | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -47 | 176.6 | 179.7 | -135.6 | 0 | 0 | 0 | 112.6 | K1042 M1043 K1048 A1049 I1050 V1103 H1106 L1110 L1117 M1121 L1125 | K1042-F1046 PolarHBondContact O-N 3.22Å; K1042-F1046 VanDerWaalsContact O-N 3.13Å; M1043-F1046 WeakPolarHBondContact O-CB 3.39Å; M1043-F1046 PolarHBondContact O-N 2.97Å; M1043-F1046 HydrophobicContact SD-CD1 4Å; F1046-K1048 PolarHBondContact O-N 3.43Å; F1046-A1049 PolarHBondContact O-N 3.41Å; F1046-I1050 HydrophobicContact CD1-CD1 4.33Å; F1046-I1050 HydrophobicContact CD2-CD1 4.02Å; F1046-I1050 HydrophobicContact CD2-CG1 4.26Å; F1046-I1050 HydrophobicContact CE1-CD1 3.96Å; F1046-I1050 HydrophobicContact CE2-CD1 3.62Å; F1046-I1050 HydrophobicContact CE2-CG1 4.05Å; F1046-I1050 HydrophobicContact CG-CD1 4.37Å; F1046-I1050 HydrophobicContact CZ-CD1 3.6Å; F1046-I1050 WeakPolarHBondContact O-CB 3.47Å; F1046-I1050 WeakPolarHBondContact O-CG1 3.28Å; F1046-I1050 PolarHBondContact O-N 3.38Å; F1046-V1103 HydrophobicContact CE2-CG1 4.15Å; F1046-V1103 WeakPolarHBondContact CE2-O 3.35Å; F1046-H1106 HydrophobicContact CB-CB 3.96Å; F1046-H1106 HydrophobicContact CD2-CB 3.67Å; F1046-H1106 HydrophobicContact CG-CB 4.2Å; F1046-L1110 HydrophobicContact CB-CD1 3.8Å; F1046-L1110 HydrophobicContact CD1-CD1 3.62Å; F1046-L1110 HydrophobicContact CE1-CD1 4.38Å; F1046-L1110 HydrophobicContact CG-CD1 3.87Å; F1046-L1117 HydrophobicContact CD1-CD2 4.32Å; F1046-L1117 HydrophobicContact CE1-CD1 3.87Å; F1046-L1117 HydrophobicContact CE1-CD2 3.9Å; F1046-L1117 HydrophobicContact CE1-CG 4.49Å; F1046-L1117 HydrophobicContact CZ-CD1 4Å; F1046-M1121 HydrophobicContact CE1-CB 4.12Å; F1046-L1125 HydrophobicContact CE2-CD1 4.43Å |
| 1047 | D | 90.1 | Very high | 91 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 178 | -167.5 | 62.1 | 0 | 0 | 0 | 111.5 | M1043 I1050 D1051 M1121 | M1043-D1047 PolarHBondContact O-N 2.72Å; D1047-I1050 WeakPolarHBondContact O-CB 3.33Å; D1047-I1050 PolarHBondContact O-N 2.9Å; D1047-D1051 PolarHBondContact O-N 3.44Å; D1047-D1051 VanDerWaalsContact O-N 3.14Å; D1047-M1121 HydrophobicContact CB-CE 4.46Å; D1047-M1121 WeakPolarHBondContact OD1-CE 3.45Å |
| 1048 | K | 90.9 | Very high | 91 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 48% | 0.483 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.3 | 179 | 179.8 | 176.9 | -70 | 0 | 112.6 | M1044 L1045 F1046 I1050 D1051 E1052 | M1044-K1048 WeakPolarHBondContact O-CB 3.34Å; M1044-K1048 PolarHBondContact O-N 3Å; L1045-K1048 PolarHBondContact O-N 2.83Å; F1046-K1048 PolarHBondContact O-N 3.43Å; K1048-I1050 VanDerWaalsContact C-N 3.31Å; K1048-I1050 PolarHBondContact O-N 3.19Å; K1048-D1051 PolarHBondContact O-N 3.31Å; K1048-E1052 WeakPolarHBondContact CE-OE1 3.25Å; K1048-E1052 IonicContact NZ-OE1 3.94Å; K1048-E1052 PolarHBondContact NZ-OE1 3.27Å; K1048-E1052 IonicContact NZ-OE2 2.87Å; K1048-E1052 PolarHBondContact NZ-OE2 2.87Å; K1048-E1052 PolarHBondContact O-N 3.11Å |
| 1049 | A | 92.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1045 F1046 D1051 E1052 C1053 V1103 | L1045-A1049 WeakPolarHBondContact O-CB 3.35Å; L1045-A1049 PolarHBondContact O-N 3.07Å; F1046-A1049 PolarHBondContact O-N 3.41Å; A1049-D1051 VanDerWaalsContact C-N 3.34Å; A1049-D1051 PolarHBondContact O-N 2.73Å; A1049-E1052 PolarHBondContact O-N 3.41Å; A1049-C1053 WeakPolarHBondContact O-CB 3.33Å; A1049-C1053 PolarHBondContact O-N 3.33Å; A1049-V1103 HydrophobicContact CB-CG2 3.64Å; A1049-V1103 VanDerWaalsContact O-CG2 3.26Å; A1049-V1103 WeakPolarHBondContact O-CG2 3.25Å |
| 1050 | I | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 173.7 | -82.4 | 176 | 0 | 0 | 0 | 110.9 | F1046 D1047 K1048 C1053 K1054 V1103 S1124 L1128 | F1046-I1050 HydrophobicContact CD1-CD1 4.33Å; F1046-I1050 HydrophobicContact CD2-CD1 4.02Å; F1046-I1050 HydrophobicContact CD2-CG1 4.26Å; F1046-I1050 HydrophobicContact CE1-CD1 3.96Å; F1046-I1050 HydrophobicContact CE2-CD1 3.62Å; F1046-I1050 HydrophobicContact CE2-CG1 4.05Å; F1046-I1050 HydrophobicContact CG-CD1 4.37Å; F1046-I1050 HydrophobicContact CZ-CD1 3.6Å; F1046-I1050 WeakPolarHBondContact O-CB 3.47Å; F1046-I1050 WeakPolarHBondContact O-CG1 3.28Å; F1046-I1050 PolarHBondContact O-N 3.38Å; D1047-I1050 WeakPolarHBondContact O-CB 3.33Å; D1047-I1050 PolarHBondContact O-N 2.9Å; K1048-I1050 VanDerWaalsContact C-N 3.31Å; K1048-I1050 PolarHBondContact O-N 3.19Å; I1050-C1053 PolarHBondContact O-N 3.14Å; I1050-K1054 HydrophobicContact CG2-CD 4.36Å; I1050-K1054 VanDerWaalsContact CG2-NZ 3.28Å; I1050-K1054 WeakPolarHBondContact O-CG 3.37Å; I1050-K1054 PolarHBondContact O-N 3.28Å; I1050-V1103 HydrophobicContact CG1-CG1 3.77Å; I1050-V1103 HydrophobicContact CG1-CG2 4.24Å; I1050-S1124 WeakPolarHBondContact CG2-OG 3.47Å; I1050-L1128 HydrophobicContact CG1-CD1 4.45Å; I1050-L1128 HydrophobicContact CG2-CD1 4.35Å |
| 1051 | D | 91.2 | Very high | 91.2 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | -179.5 | -93 | 14.8 | 0 | 0 | 0 | 113.1 | D1047 K1048 A1049 K1054 V1055 | D1047-D1051 PolarHBondContact O-N 3.44Å; D1047-D1051 VanDerWaalsContact O-N 3.14Å; K1048-D1051 PolarHBondContact O-N 3.31Å; A1049-D1051 VanDerWaalsContact C-N 3.34Å; A1049-D1051 PolarHBondContact O-N 2.73Å; D1051-K1054 PolarHBondContact O-N 3.27Å; D1051-K1054 WeakPolarHBondContact OD1-CD 3.23Å; D1051-K1054 WeakPolarHBondContact OD1-CE 3.32Å; D1051-K1054 IonicContact OD1-NZ 3.98Å; D1051-K1054 PolarHBondContact OD1-NZ 2.61Å; D1051-V1055 PolarHBondContact O-N 3.45Å |
| 1052 | E | 92.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 172.9 | -72.9 | 174.1 | 151.1 | 0 | 0 | 111.4 | K1048 A1049 V1055 | K1048-E1052 WeakPolarHBondContact CE-OE1 3.25Å; K1048-E1052 IonicContact NZ-OE1 3.94Å; K1048-E1052 PolarHBondContact NZ-OE1 3.27Å; K1048-E1052 IonicContact NZ-OE2 2.87Å; K1048-E1052 PolarHBondContact NZ-OE2 2.87Å; K1048-E1052 PolarHBondContact O-N 3.11Å; A1049-E1052 PolarHBondContact O-N 3.41Å; E1052-V1055 PolarHBondContact O-N 3.3Å |
| 1053 | C | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 174.5 | -171.7 | 0 | 0 | 0 | 0 | 113.1 | A1049 I1050 V1055 M1057 L1099 V1103 L1128 | A1049-C1053 WeakPolarHBondContact O-CB 3.33Å; A1049-C1053 PolarHBondContact O-N 3.33Å; I1050-C1053 PolarHBondContact O-N 3.14Å; C1053-V1055 VanDerWaalsContact C-N 3.32Å; C1053-V1055 PolarHBondContact O-N 3.37Å; C1053-M1057 WeakPolarHBondContact O-CB 3.31Å; C1053-M1057 WeakPolarHBondContact O-CG 3.45Å; C1053-M1057 PolarHBondContact O-N 3.29Å; C1053-L1099 HydrophobicContact CB-CB 4.16Å; C1053-V1103 HydrophobicContact CB-CG2 4.03Å; C1053-L1128 HydrophobicContact CB-CD1 4.11Å; C1053-L1128 HydrophobicContact CB-CD2 4.48Å |
| 1054 | K | 92.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.9 | -76.8 | 169.6 | -163.5 | 155.3 | 0 | 112.1 | I1050 D1051 N1058 S1124 L1128 | I1050-K1054 HydrophobicContact CG2-CD 4.36Å; I1050-K1054 VanDerWaalsContact CG2-NZ 3.28Å; I1050-K1054 WeakPolarHBondContact O-CG 3.37Å; I1050-K1054 PolarHBondContact O-N 3.28Å; D1051-K1054 PolarHBondContact O-N 3.27Å; D1051-K1054 WeakPolarHBondContact OD1-CD 3.23Å; D1051-K1054 WeakPolarHBondContact OD1-CE 3.32Å; D1051-K1054 IonicContact OD1-NZ 3.98Å; D1051-K1054 PolarHBondContact OD1-NZ 2.61Å; K1054-N1058 PolarHBondContact O-N 3.48Å; K1054-N1058 PolarHBondContact O-ND2 3.1Å; K1054-N1058 VanDerWaalsContact O-ND2 3.15Å; K1054-S1124 VanDerWaalsContact CE-OG 3.29Å; K1054-S1124 WeakPolarHBondContact CE-OG 3.38Å; K1054-L1128 HydrophobicContact CG-CD2 3.93Å |
| 1055 | V | 92.9 | Very high | 90.8 | Very high | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -54.5 | -178.7 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | D1051 E1052 C1053 M1057 N1058 E1059 | D1051-V1055 PolarHBondContact O-N 3.45Å; E1052-V1055 PolarHBondContact O-N 3.3Å; C1053-V1055 VanDerWaalsContact C-N 3.32Å; C1053-V1055 PolarHBondContact O-N 3.37Å; V1055-M1057 VanDerWaalsContact C-N 3.29Å; V1055-M1057 PolarHBondContact O-N 3.16Å; V1055-N1058 WeakPolarHBondContact O-CB 3.43Å; V1055-N1058 PolarHBondContact O-N 3.07Å; V1055-E1059 PolarHBondContact O-N 3.15Å |
| 1056 | V | 91.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -32.1 | -177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | N1058 E1059 A1060 H1095 V1096 L1099 | V1056-N1058 VanDerWaalsContact C-N 3.31Å; V1056-N1058 PolarHBondContact O-N 3.36Å; V1056-E1059 PolarHBondContact O-N 2.99Å; V1056-A1060 PolarHBondContact O-N 3.44Å; V1056-H1095 HydrophobicContact CG1-CB 4.34Å; V1056-V1096 HydrophobicContact CG1-CG2 4.12Å; V1056-L1099 HydrophobicContact CB-CD1 4.1Å; V1056-L1099 HydrophobicContact CG2-CD1 3.59Å |
| 1057 | M | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 172.2 | -80.8 | -90.5 | 63.2 | 0 | 0 | 113.4 | C1053 V1055 A1060 D1061 V1096 L1128 R1131 L1135 | C1053-M1057 WeakPolarHBondContact O-CB 3.31Å; C1053-M1057 WeakPolarHBondContact O-CG 3.45Å; C1053-M1057 PolarHBondContact O-N 3.29Å; V1055-M1057 VanDerWaalsContact C-N 3.29Å; V1055-M1057 PolarHBondContact O-N 3.16Å; M1057-A1060 HydrophobicContact CE-CB 4Å; M1057-A1060 PolarHBondContact O-N 2.99Å; M1057-D1061 PolarHBondContact O-N 3.48Å; M1057-V1096 HydrophobicContact CE-CB 4.46Å; M1057-V1096 HydrophobicContact CE-CG1 3.42Å; M1057-V1096 VanDerWaalsContact CE-CG1 3.42Å; M1057-V1096 HydrophobicContact CE-CG2 4.22Å; M1057-V1096 HydrophobicContact CG-CG1 4.08Å; M1057-V1096 HydrophobicContact SD-CG1 3.8Å; M1057-L1128 HydrophobicContact CG-CD2 4.03Å; M1057-R1131 PolarHBondContact O-NH2 3.29Å; M1057-R1131 HydrophobicContact SD-CB 3.96Å; M1057-L1135 HydrophobicContact CE-CD1 3.19Å; M1057-L1135 HydrophobicContact SD-CD1 4.46Å |
| 1058 | N | 90.9 | Very high | 89.9 | Confident | 78 Ų | 78 | 66.6 Ų | 66.6 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.2 | -33 | 175.8 | -62.2 | -25.7 | 0 | 0 | 0 | 112 | K1054 V1055 V1056 N1062 R1131 | K1054-N1058 PolarHBondContact O-N 3.48Å; K1054-N1058 PolarHBondContact O-ND2 3.1Å; K1054-N1058 VanDerWaalsContact O-ND2 3.15Å; V1055-N1058 WeakPolarHBondContact O-CB 3.43Å; V1055-N1058 PolarHBondContact O-N 3.07Å; V1056-N1058 VanDerWaalsContact C-N 3.31Å; V1056-N1058 PolarHBondContact O-N 3.36Å; N1058-N1062 PolarHBondContact O-N 3.21Å; N1058-N1062 PolarHBondContact O-ND2 3.13Å; N1058-R1131 PolarHBondContact OD1-NH1 2.85Å; N1058-R1131 PolarHBondContact OD1-NH2 3.43Å |
| 1059 | E | 90.5 | Very high | 89.4 | Confident | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 172.7 | -63 | -174.2 | 168.4 | 0 | 0 | 111.9 | V1055 V1056 D1061 N1062 L1063 Y1091 | V1055-E1059 PolarHBondContact O-N 3.15Å; V1056-E1059 PolarHBondContact O-N 2.99Å; E1059-D1061 PolarHBondContact O-N 3.39Å; E1059-N1062 PolarHBondContact O-N 3.33Å; E1059-L1063 WeakPolarHBondContact O-CG 3.4Å; E1059-L1063 PolarHBondContact O-N 3.44Å; E1059-Y1091 PolarHBondContact OE2-OH 2.93Å |
| 1060 | A | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V1056 M1057 L1063 K1064 F1088 Y1091 V1096 L1135 | V1056-A1060 PolarHBondContact O-N 3.44Å; M1057-A1060 HydrophobicContact CE-CB 4Å; M1057-A1060 PolarHBondContact O-N 2.99Å; A1060-L1063 PolarHBondContact O-N 3.04Å; A1060-K1064 PolarHBondContact O-N 3.48Å; A1060-K1064 VanDerWaalsContact O-N 3.14Å; A1060-F1088 HydrophobicContact CB-CZ 4.4Å; A1060-Y1091 HydrophobicContact CB-CE1 4.07Å; A1060-V1096 HydrophobicContact CB-CG2 4.14Å; A1060-L1135 HydrophobicContact CB-CD1 3.97Å; A1060-L1135 HydrophobicContact CB-CD2 4.39Å |
| 1061 | D | 89.6 | Confident | 87.7 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.4 | -87.1 | -49.1 | 0 | 0 | 0 | 112.3 | M1057 E1059 L1063 K1064 V1065 R1131 | M1057-D1061 PolarHBondContact O-N 3.48Å; E1059-D1061 PolarHBondContact O-N 3.39Å; D1061-L1063 VanDerWaalsContact C-N 3.31Å; D1061-L1063 PolarHBondContact O-N 3.01Å; D1061-K1064 WeakPolarHBondContact O-CB 3.46Å; D1061-K1064 PolarHBondContact O-N 2.82Å; D1061-K1064 IonicContact OD1-NZ 3.59Å; D1061-K1064 PolarHBondContact OD1-NZ 3.24Å; D1061-V1065 PolarHBondContact O-N 3.33Å; D1061-R1131 IonicContact OD2-CZ 2.99Å; D1061-R1131 IonicContact OD2-NE 3.58Å; D1061-R1131 PolarHBondContact OD2-NE 3.35Å; D1061-R1131 IonicContact OD2-NH2 3.9Å; D1061-R1131 PolarHBondContact OD2-NH2 3.17Å |
| 1062 | N | 89.3 | Confident | 87.1 | Confident | 116 Ų | 116 | 69.1 Ų | 69.1 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 175.1 | -79.2 | -47.7 | 0 | 0 | 0 | 112.4 | N1058 E1059 V1065 | N1058-N1062 PolarHBondContact O-N 3.21Å; N1058-N1062 PolarHBondContact O-ND2 3.13Å; E1059-N1062 PolarHBondContact O-N 3.33Å; N1062-V1065 PolarHBondContact O-N 3.29Å |
| 1063 | L | 88 | Confident | 86.6 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 176.1 | -73.3 | 172 | 0 | 0 | 0 | 112.9 | E1059 A1060 D1061 V1065 L1066 F1088 Y1091 | E1059-L1063 WeakPolarHBondContact O-CG 3.4Å; E1059-L1063 PolarHBondContact O-N 3.44Å; A1060-L1063 PolarHBondContact O-N 3.04Å; D1061-L1063 VanDerWaalsContact C-N 3.31Å; D1061-L1063 PolarHBondContact O-N 3.01Å; L1063-V1065 VanDerWaalsContact C-N 3.26Å; L1063-V1065 PolarHBondContact O-N 3.37Å; L1063-L1066 HydrophobicContact CD2-CD1 4.25Å; L1063-L1066 WeakPolarHBondContact O-CB 3.49Å; L1063-L1066 PolarHBondContact O-N 2.89Å; L1063-L1066 VanDerWaalsContact O-N 3.17Å; L1063-F1088 HydrophobicContact CB-CD2 4.25Å; L1063-F1088 HydrophobicContact CB-CE2 3.69Å; L1063-F1088 HydrophobicContact CD1-CE2 4.22Å; L1063-Y1091 HydrophobicContact CD1-CD1 4.38Å; L1063-Y1091 HydrophobicContact CD1-CE1 4.02Å |
| 1064 | K | 87.6 | Confident | 85.9 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 24% | 0.243 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.7 | -30 | 175.6 | 162.9 | 176.2 | 151 | -155.8 | 0 | 113.1 | A1060 D1061 L1066 W1067 L1135 A1138 | A1060-K1064 PolarHBondContact O-N 3.48Å; A1060-K1064 VanDerWaalsContact O-N 3.14Å; D1061-K1064 WeakPolarHBondContact O-CB 3.46Å; D1061-K1064 PolarHBondContact O-N 2.82Å; D1061-K1064 IonicContact OD1-NZ 3.59Å; D1061-K1064 PolarHBondContact OD1-NZ 3.24Å; K1064-L1066 PolarHBondContact O-N 3.39Å; K1064-W1067 HydrophobicContact CB-CH2 4.3Å; K1064-W1067 HydrophobicContact CB-CZ2 4.15Å; K1064-W1067 HydrophobicContact CG-CE3 4.37Å; K1064-W1067 HydrophobicContact CG-CH2 4.26Å; K1064-W1067 HydrophobicContact CG-CZ3 4.18Å; K1064-W1067 PolarHBondContact O-N 2.99Å; K1064-L1135 HydrophobicContact CB-CD2 4.07Å; K1064-L1135 HydrophobicContact CD-CD2 3.41Å; K1064-L1135 VanDerWaalsContact CD-CD2 3.41Å; K1064-L1135 HydrophobicContact CD-CG 4.18Å; K1064-L1135 HydrophobicContact CG-CD2 4.41Å; K1064-A1138 HydrophobicContact CD-CB 4.37Å |
| 1065 | V | 86.9 | Confident | 84.9 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 73% | 0.733 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.5 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 113 | D1061 N1062 L1063 W1067 | D1061-V1065 PolarHBondContact O-N 3.33Å; N1062-V1065 PolarHBondContact O-N 3.29Å; L1063-V1065 VanDerWaalsContact C-N 3.26Å; L1063-V1065 PolarHBondContact O-N 3.37Å; V1065-W1067 VanDerWaalsContact C-N 3.28Å; V1065-W1067 PolarHBondContact O-N 3.31Å |
| 1066 | L | 86.7 | Confident | 84 | Confident | 135 Ų | 135 | 78.3 Ų | 78.3 | 71% | 0.707 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -3 | -177.8 | -59.4 | 173.9 | 0 | 0 | 0 | 114.3 | L1063 K1064 K1068 | L1063-L1066 HydrophobicContact CD2-CD1 4.25Å; L1063-L1066 WeakPolarHBondContact O-CB 3.49Å; L1063-L1066 PolarHBondContact O-N 2.89Å; L1063-L1066 VanDerWaalsContact O-N 3.17Å; K1064-L1066 PolarHBondContact O-N 3.39Å; L1066-K1068 PolarHBondContact O-N 2.84Å |
| 1067 | W | 86.4 | Confident | 83.6 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 27% | 0.269 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 117.9 | -170.5 | -63.4 | -4.6 | 0 | 0 | 0 | 114 | K1064 V1065 F1088 A1138 I1139 R1142 | K1064-W1067 HydrophobicContact CB-CH2 4.3Å; K1064-W1067 HydrophobicContact CB-CZ2 4.15Å; K1064-W1067 HydrophobicContact CG-CE3 4.37Å; K1064-W1067 HydrophobicContact CG-CH2 4.26Å; K1064-W1067 HydrophobicContact CG-CZ3 4.18Å; K1064-W1067 PolarHBondContact O-N 2.99Å; V1065-W1067 VanDerWaalsContact C-N 3.28Å; V1065-W1067 PolarHBondContact O-N 3.31Å; W1067-F1088 HydrophobicContact CH2-CD1 4Å; W1067-F1088 AromaticContact CH2-CE1 3.9Å; W1067-F1088 HydrophobicContact CH2-CE1 3.9Å; W1067-F1088 AromaticContact CZ2-CD1 3.47Å; W1067-F1088 HydrophobicContact CZ2-CD1 3.47Å; W1067-F1088 VanDerWaalsContact CZ2-CD1 3.47Å; W1067-F1088 HydrophobicContact CZ2-CD2 4.25Å; W1067-F1088 AromaticContact CZ2-CE1 3.56Å; W1067-F1088 HydrophobicContact CZ2-CE1 3.56Å; W1067-F1088 HydrophobicContact CZ2-CE2 4.35Å; W1067-F1088 AromaticContact CZ2-CG 3.81Å; W1067-F1088 HydrophobicContact CZ2-CG 3.81Å; W1067-F1088 HydrophobicContact CZ2-CZ 4.02Å; W1067-A1138 HydrophobicContact CZ3-CB 4.18Å; W1067-I1139 HydrophobicContact CH2-CB 4.01Å; W1067-I1139 HydrophobicContact CH2-CD1 3.73Å; W1067-I1139 HydrophobicContact CH2-CG1 4.45Å; W1067-I1139 HydrophobicContact CZ2-CD1 3.84Å; W1067-I1139 HydrophobicContact CZ3-CD1 4.43Å; W1067-R1142 VanDerWaalsContact CE3-CD 3.44Å; W1067-R1142 HydrophobicContact CZ3-CB 4.38Å |
| 1068 | K | 82.8 | Confident | 83.1 | Confident | 128 Ų | 128 | 80.2 Ų | 80.2 | 56% | 0.557 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 140.9 | 167.1 | -62.1 | -179.9 | -173.7 | 172 | 0 | 111.4 | L1066 E1077 R1142 | L1066-K1068 PolarHBondContact O-N 2.84Å; K1068-E1077 IonicContact NZ-OE2 2.68Å; K1068-E1077 PolarHBondContact NZ-OE2 3.08Å; K1068-R1142 VanDerWaalsContact O-CZ 3.29Å; K1068-R1142 PolarHBondContact O-NH1 3.28Å; K1068-R1142 PolarHBondContact O-NH2 3.31Å |
| 1069 | S | 80.2 | Confident | 82.6 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 142.5 | 167 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | G1071 G1072 | S1069-G1071 VanDerWaalsContact C-N 3.3Å; S1069-G1071 PolarHBondContact O-N 3.35Å; S1069-G1072 PolarHBondContact O-N 3.21Å |
| 1070 | V | 77.2 | Confident | 82.3 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -62.9 | -35.1 | -172.1 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | G1072 I1073 L1145 I1146 | V1070-G1072 PolarHBondContact O-N 3.36Å; V1070-G1072 VanDerWaalsContact O-N 3.17Å; V1070-I1073 HydrophobicContact CB-CD1 4.46Å; V1070-I1073 HydrophobicContact CG1-CD1 4.42Å; V1070-I1073 WeakPolarHBondContact O-CB 3.34Å; V1070-I1073 PolarHBondContact O-N 3.22Å; V1070-L1145 HydrophobicContact CG1-CB 4.46Å; V1070-L1145 HydrophobicContact CG2-CB 3.98Å; V1070-L1145 HydrophobicContact CG2-CD1 4.32Å; V1070-I1146 HydrophobicContact CG1-CG1 4.24Å; V1070-I1146 HydrophobicContact CG2-CG1 4.1Å |
| 1071 | G | 71.3 | Confident | 82.2 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 85% | 0.845 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -68.7 | -6.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1069 | S1069-G1071 VanDerWaalsContact C-N 3.3Å; S1069-G1071 PolarHBondContact O-N 3.35Å |
| 1072 | G | 78.3 | Confident | 82.1 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 55% | 0.546 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -100.4 | 6.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1069 V1070 | S1069-G1072 PolarHBondContact O-N 3.21Å; V1070-G1072 PolarHBondContact O-N 3.36Å; V1070-G1072 VanDerWaalsContact O-N 3.17Å |
| 1073 | I | 80.4 | Confident | 81.9 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 10% | 0.097 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -94 | 130.9 | 178 | -55.1 | 173.5 | 0 | 0 | 0 | 108.2 | V1070 E1077 L1078 S1081 I1146 | V1070-I1073 HydrophobicContact CB-CD1 4.46Å; V1070-I1073 HydrophobicContact CG1-CD1 4.42Å; V1070-I1073 WeakPolarHBondContact O-CB 3.34Å; V1070-I1073 PolarHBondContact O-N 3.22Å; I1073-E1077 HydrophobicContact CG2-CB 3.69Å; I1073-L1078 HydrophobicContact CB-CD2 4.38Å; I1073-L1078 HydrophobicContact CG2-CD2 3.99Å; I1073-L1078 HydrophobicContact CG2-CG 4.28Å; I1073-S1081 VanDerWaalsContact CG2-OG 3.28Å; I1073-S1081 WeakPolarHBondContact CG2-OG 3.03Å; I1073-I1146 HydrophobicContact CD1-CD1 4.38Å; I1073-I1146 HydrophobicContact CD1-CG1 4.42Å |
| 1074 | K | 78.1 | Confident | 82 | Confident | 124 Ų | 124 | 80 Ų | 80 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | trans | -69.8 | 153.7 | 174 | -54.2 | -160.2 | -157.9 | 90.2 | 0 | 110.5 | E1076 E1077 L1078 | K1074-E1076 PolarHBondContact O-N 3.36Å; K1074-E1077 HydrophobicContact CB-CB 4.23Å; K1074-E1077 HydrophobicContact CB-CG 4.09Å; K1074-E1077 HydrophobicContact CG-CG 4.44Å; K1074-E1077 IonicContact NZ-OE1 3.24Å; K1074-E1077 PolarHBondContact NZ-OE1 3.41Å; K1074-E1077 CarbonylContact O-C 3.58Å; K1074-E1077 WeakPolarHBondContact O-CA 3.41Å; K1074-E1077 WeakPolarHBondContact O-CB 3.5Å; K1074-E1077 PolarHBondContact O-N 3.24Å; K1074-L1078 PolarHBondContact O-N 3.02Å; K1074-L1078 VanDerWaalsContact O-N 3.14Å | ||
| 1075 | L | 72.2 | Confident | 82.1 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -53.7 | -38.4 | 174.5 | -72.9 | 162.2 | 0 | 0 | 0 | 112.5 | E1077 L1078 Y1153 | L1075-E1077 VanDerWaalsContact C-N 3.33Å; L1075-E1077 PolarHBondContact O-N 2.78Å; L1075-L1078 HydrophobicContact CD2-CD1 3.98Å; L1075-L1078 PolarHBondContact O-N 3.29Å; L1075-Y1153 HydrophobicContact CD2-CG 4.39Å |
| 1076 | E | 75 | Confident | 82.1 | Confident | 173 Ų | 173 | 75.9 Ų | 75.9 | 81% | 0.808 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -67.7 | -27.1 | 174 | -63.4 | 164.9 | -171.9 | 0 | 0 | 113.6 | K1074 | K1074-E1076 PolarHBondContact O-N 3.36Š|
| 1077 | E | 81.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 72 Ų | 72 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -90 | -8 | -179.3 | -69.5 | 175 | -151.7 | 0 | 0 | 112.7 | K1068 I1073 K1074 L1075 S1081 | K1068-E1077 IonicContact NZ-OE2 2.68Å; K1068-E1077 PolarHBondContact NZ-OE2 3.08Å; I1073-E1077 HydrophobicContact CG2-CB 3.69Å; K1074-E1077 HydrophobicContact CB-CB 4.23Å; K1074-E1077 HydrophobicContact CB-CG 4.09Å; K1074-E1077 HydrophobicContact CG-CG 4.44Å; K1074-E1077 IonicContact NZ-OE1 3.24Å; K1074-E1077 PolarHBondContact NZ-OE1 3.41Å; K1074-E1077 CarbonylContact O-C 3.58Å; K1074-E1077 WeakPolarHBondContact O-CA 3.41Å; K1074-E1077 WeakPolarHBondContact O-CB 3.5Å; K1074-E1077 PolarHBondContact O-N 3.24Å; L1075-E1077 VanDerWaalsContact C-N 3.33Å; L1075-E1077 PolarHBondContact O-N 2.78Å; E1077-S1081 VanDerWaalsContact O-CB 3.29Å; E1077-S1081 WeakPolarHBondContact O-CB 3.28Å; E1077-S1081 PolarHBondContact O-N 3.33Å; E1077-S1081 PolarHBondContact O-OG 2.97Å |
| 1078 | L | 80.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | -179.1 | -77.4 | 173.5 | 0 | 0 | 0 | 113.9 | I1073 K1074 L1075 S1081 M1082 I1146 A1149 L1150 | I1073-L1078 HydrophobicContact CB-CD2 4.38Å; I1073-L1078 HydrophobicContact CG2-CD2 3.99Å; I1073-L1078 HydrophobicContact CG2-CG 4.28Å; K1074-L1078 PolarHBondContact O-N 3.02Å; K1074-L1078 VanDerWaalsContact O-N 3.14Å; L1075-L1078 HydrophobicContact CD2-CD1 3.98Å; L1075-L1078 PolarHBondContact O-N 3.29Å; L1078-S1081 PolarHBondContact O-N 2.89Å; L1078-M1082 PolarHBondContact O-N 3.3Å; L1078-I1146 HydrophobicContact CD2-CG2 4.05Å; L1078-A1149 HydrophobicContact CD1-CB 3.95Å; L1078-A1149 HydrophobicContact CD2-CB 3.78Å; L1078-L1150 HydrophobicContact CB-CD2 4.03Å; L1078-L1150 HydrophobicContact CB-CG 4.28Å |
| 1079 | P | 82.1 | Confident | 82.9 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 178.5 | -22.8 | 34.8 | 0 | 0 | 0 | 111.9 | S1081 M1082 E1083 L1150 | P1079-S1081 VanDerWaalsContact C-N 3.27Å; P1079-S1081 PolarHBondContact O-N 3.46Å; P1079-M1082 WeakPolarHBondContact O-CA 3.45Å; P1079-M1082 VanDerWaalsContact O-CB 3.24Å; P1079-M1082 WeakPolarHBondContact O-CB 3.31Å; P1079-M1082 PolarHBondContact O-N 3.19Å; P1079-E1083 PolarHBondContact O-N 3.42Å; P1079-E1083 VanDerWaalsContact O-N 3.09Å; P1079-L1150 HydrophobicContact CG-CD2 4.38Å |
| 1080 | S | 84.4 | Confident | 83.3 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -28.5 | 178.3 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | M1082 E1083 H1084 | S1080-M1082 VanDerWaalsContact C-N 3.27Å; S1080-M1082 PolarHBondContact O-N 3.39Å; S1080-E1083 VanDerWaalsContact CA-OE2 3.3Å; S1080-E1083 WeakPolarHBondContact CA-OE2 3.28Å; S1080-E1083 PolarHBondContact O-N 3.19Å; S1080-E1083 PolarHBondContact OG-OE2 2.88Å; S1080-H1084 PolarHBondContact O-N 2.87Å; S1080-H1084 PolarHBondContact O-ND1 3.29Å; S1080-H1084 PolarHBondContact OG-CE1 3.02Å |
| 1081 | S | 86.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.2 | -26.7 | 171.5 | -60 | 0 | 0 | 0 | 0 | 113.1 | I1073 E1077 L1078 P1079 A1085 | I1073-S1081 VanDerWaalsContact CG2-OG 3.28Å; I1073-S1081 WeakPolarHBondContact CG2-OG 3.03Å; E1077-S1081 VanDerWaalsContact O-CB 3.29Å; E1077-S1081 WeakPolarHBondContact O-CB 3.28Å; E1077-S1081 PolarHBondContact O-N 3.33Å; E1077-S1081 PolarHBondContact O-OG 2.97Å; L1078-S1081 PolarHBondContact O-N 2.89Å; P1079-S1081 VanDerWaalsContact C-N 3.27Å; P1079-S1081 PolarHBondContact O-N 3.46Å; S1081-A1085 WeakPolarHBondContact O-CB 3.35Å; S1081-A1085 PolarHBondContact O-N 2.65Å |
| 1082 | M | 87.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.6 | -47.8 | 169.2 | -176 | 55.4 | 60.2 | 0 | 0 | 110.9 | L1078 P1079 S1080 H1084 A1085 Q1086 V1143 I1146 Q1147 L1150 | L1078-M1082 PolarHBondContact O-N 3.3Å; P1079-M1082 WeakPolarHBondContact O-CA 3.45Å; P1079-M1082 VanDerWaalsContact O-CB 3.24Å; P1079-M1082 WeakPolarHBondContact O-CB 3.31Å; P1079-M1082 PolarHBondContact O-N 3.19Å; S1080-M1082 VanDerWaalsContact C-N 3.27Å; S1080-M1082 PolarHBondContact O-N 3.39Å; M1082-H1084 VanDerWaalsContact C-N 3.34Å; M1082-H1084 PolarHBondContact O-N 3.38Å; M1082-A1085 WeakPolarHBondContact O-CB 3.41Å; M1082-A1085 PolarHBondContact O-N 2.9Å; M1082-Q1086 HydrophobicContact CG-CG 4.3Å; M1082-Q1086 WeakPolarHBondContact O-CG 3.44Å; M1082-Q1086 PolarHBondContact O-N 3.22Å; M1082-Q1086 HydrophobicContact SD-CG 4.05Å; M1082-V1143 HydrophobicContact SD-CG1 4.08Å; M1082-I1146 HydrophobicContact CB-CG2 4.28Å; M1082-I1146 HydrophobicContact CE-CB 3.61Å; M1082-I1146 HydrophobicContact CE-CG2 3.62Å; M1082-Q1147 HydrophobicContact CE-CB 4.2Å; M1082-Q1147 HydrophobicContact CE-CG 3.47Å; M1082-Q1147 VanDerWaalsContact CE-CG 3.47Å; M1082-Q1147 VanDerWaalsContact CE-N 3.33Å; M1082-Q1147 HydrophobicContact SD-CG 4.31Å; M1082-L1150 HydrophobicContact CB-CD1 4.15Å; M1082-L1150 HydrophobicContact CE-CD1 3.95Å; M1082-L1150 HydrophobicContact CG-CD1 4.44Å |
| 1083 | E | 86.7 | Confident | 85.2 | Confident | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.8 | -47.4 | 177.9 | -64.7 | 165.4 | 168.4 | 0 | 0 | 111.5 | P1079 S1080 A1085 Q1086 A1087 | P1079-E1083 PolarHBondContact O-N 3.42Å; P1079-E1083 VanDerWaalsContact O-N 3.09Å; S1080-E1083 VanDerWaalsContact CA-OE2 3.3Å; S1080-E1083 WeakPolarHBondContact CA-OE2 3.28Å; S1080-E1083 PolarHBondContact O-N 3.19Å; S1080-E1083 PolarHBondContact OG-OE2 2.88Å; E1083-A1085 VanDerWaalsContact C-N 3.32Å; E1083-A1085 PolarHBondContact O-N 3.01Å; E1083-Q1086 PolarHBondContact O-N 3.46Å; E1083-A1087 WeakPolarHBondContact O-CB 3.21Å; E1083-A1087 PolarHBondContact O-N 3.05Å |
| 1084 | H | 89 | Confident | 85.4 | Confident | 134 Ų | 134 | 68.5 Ų | 68.5 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.2 | -34.2 | 176.8 | -71.4 | 91.5 | 0 | 0 | 0 | 113 | S1080 M1082 F1088 | S1080-H1084 PolarHBondContact O-N 2.87Å; S1080-H1084 PolarHBondContact O-ND1 3.29Å; S1080-H1084 PolarHBondContact OG-CE1 3.02Å; M1082-H1084 VanDerWaalsContact C-N 3.34Å; M1082-H1084 PolarHBondContact O-N 3.38Å; H1084-F1088 PolarHBondContact O-N 3.11Å; H1084-F1088 VanDerWaalsContact O-N 3.16Å |
| 1085 | A | 89.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.6 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1081 M1082 E1083 F1088 Q1089 I1139 V1143 I1146 | S1081-A1085 WeakPolarHBondContact O-CB 3.35Å; S1081-A1085 PolarHBondContact O-N 2.65Å; M1082-A1085 WeakPolarHBondContact O-CB 3.41Å; M1082-A1085 PolarHBondContact O-N 2.9Å; E1083-A1085 VanDerWaalsContact C-N 3.32Å; E1083-A1085 PolarHBondContact O-N 3.01Å; A1085-F1088 PolarHBondContact O-N 3.14Å; A1085-Q1089 PolarHBondContact O-N 3.24Å; A1085-I1139 HydrophobicContact CB-CD1 3.99Å; A1085-I1139 WeakPolarHBondContact O-CD1 3.33Å; A1085-V1143 HydrophobicContact CB-CG2 3.84Å; A1085-I1146 HydrophobicContact CB-CD1 4.4Å |
| 1086 | Q | 88.1 | Confident | 86.7 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 174.8 | -70.7 | 174.7 | -30.9 | 0 | 0 | 111.7 | M1082 E1083 F1088 Q1089 Q1090 | M1082-Q1086 HydrophobicContact CG-CG 4.3Å; M1082-Q1086 WeakPolarHBondContact O-CG 3.44Å; M1082-Q1086 PolarHBondContact O-N 3.22Å; M1082-Q1086 HydrophobicContact SD-CG 4.05Å; E1083-Q1086 PolarHBondContact O-N 3.46Å; Q1086-F1088 PolarHBondContact O-N 2.96Å; Q1086-Q1089 WeakPolarHBondContact O-CB 3.43Å; Q1086-Q1089 PolarHBondContact O-N 3.03Å; Q1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; Q1086-Q1090 PolarHBondContact O-N 2.99Å |
| 1087 | A | 89.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1083 Q1090 Y1091 | E1083-A1087 WeakPolarHBondContact O-CB 3.21Å; E1083-A1087 PolarHBondContact O-N 3.05Å; A1087-Q1090 PolarHBondContact O-N 2.68Å; A1087-Y1091 PolarHBondContact O-N 2.66Å |
| 1088 | F | 92.6 | Very high | 87.8 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 173.7 | -173.1 | -92.5 | 0 | 0 | 0 | 112.5 | A1060 L1063 W1067 H1084 A1085 Q1086 Q1090 Y1091 L1092 L1135 I1139 | A1060-F1088 HydrophobicContact CB-CZ 4.4Å; L1063-F1088 HydrophobicContact CB-CD2 4.25Å; L1063-F1088 HydrophobicContact CB-CE2 3.69Å; L1063-F1088 HydrophobicContact CD1-CE2 4.22Å; W1067-F1088 HydrophobicContact CH2-CD1 4Å; W1067-F1088 AromaticContact CH2-CE1 3.9Å; W1067-F1088 HydrophobicContact CH2-CE1 3.9Å; W1067-F1088 AromaticContact CZ2-CD1 3.47Å; W1067-F1088 HydrophobicContact CZ2-CD1 3.47Å; W1067-F1088 VanDerWaalsContact CZ2-CD1 3.47Å; W1067-F1088 HydrophobicContact CZ2-CD2 4.25Å; W1067-F1088 AromaticContact CZ2-CE1 3.56Å; W1067-F1088 HydrophobicContact CZ2-CE1 3.56Å; W1067-F1088 HydrophobicContact CZ2-CE2 4.35Å; W1067-F1088 AromaticContact CZ2-CG 3.81Å; W1067-F1088 HydrophobicContact CZ2-CG 3.81Å; W1067-F1088 HydrophobicContact CZ2-CZ 4.02Å; H1084-F1088 PolarHBondContact O-N 3.11Å; H1084-F1088 VanDerWaalsContact O-N 3.16Å; A1085-F1088 PolarHBondContact O-N 3.14Å; Q1086-F1088 PolarHBondContact O-N 2.96Å; F1088-Q1090 VanDerWaalsContact C-N 3.3Å; F1088-Q1090 PolarHBondContact O-N 2.98Å; F1088-Y1091 HydrophobicContact CD2-CD1 4.49Å; F1088-Y1091 HydrophobicContact CE2-CD1 4.27Å; F1088-Y1091 PolarHBondContact O-N 3.38Å; F1088-L1092 HydrophobicContact CD1-CD1 3.97Å; F1088-L1092 HydrophobicContact CE1-CD1 3.5Å; F1088-L1092 HydrophobicContact CE1-CG 4Å; F1088-L1092 HydrophobicContact CZ-CD1 4.4Å; F1088-L1092 PolarHBondContact O-N 3.5Å; F1088-L1135 HydrophobicContact CE1-CD2 4.15Å; F1088-L1135 HydrophobicContact CZ-CD2 3.88Å; F1088-I1139 HydrophobicContact CB-CD1 4.16Å; F1088-I1139 HydrophobicContact CD1-CB 4.05Å; F1088-I1139 HydrophobicContact CD1-CD1 3.87Å; F1088-I1139 HydrophobicContact CD1-CG1 3.89Å; F1088-I1139 HydrophobicContact CE1-CB 4.43Å; F1088-I1139 HydrophobicContact CG-CD1 4.41Å |
| 1089 | Q | 90.3 | Very high | 88.3 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.1 | -166.9 | 176.3 | 10.9 | 0 | 0 | 111.4 | A1085 Q1086 S1093 I1139 | A1085-Q1089 PolarHBondContact O-N 3.24Å; Q1086-Q1089 WeakPolarHBondContact O-CB 3.43Å; Q1086-Q1089 PolarHBondContact O-N 3.03Å; Q1089-S1093 WeakPolarHBondContact O-CB 3.43Å; Q1089-S1093 PolarHBondContact O-N 3.05Å; Q1089-I1139 HydrophobicContact CB-CG1 4.01Å; Q1089-I1139 HydrophobicContact CG-CG2 4.36Å |
| 1090 | Q | 88.4 | Confident | 88.8 | Confident | 130 Ų | 130 | 56.2 Ų | 56.2 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 171.4 | -73.1 | 176.2 | -6.6 | 0 | 0 | 112.2 | Q1086 A1087 F1088 L1092 S1093 C1094 | Q1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; Q1086-Q1090 PolarHBondContact O-N 2.99Å; A1087-Q1090 PolarHBondContact O-N 2.68Å; F1088-Q1090 VanDerWaalsContact C-N 3.3Å; F1088-Q1090 PolarHBondContact O-N 2.98Å; Q1090-L1092 PolarHBondContact O-N 3.24Å; Q1090-S1093 PolarHBondContact O-N 3.48Å; Q1090-C1094 VanDerWaalsContact O-CB 3.26Å; Q1090-C1094 WeakPolarHBondContact O-CB 3.42Å; Q1090-C1094 PolarHBondContact O-N 3.09Å; Q1090-C1094 PolarHBondContact O-SG 3.41Å |
| 1091 | Y | 90.6 | Very high | 89.1 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 175.6 | 173.1 | -99.7 | 0 | 0 | 0 | 112 | E1059 A1060 L1063 A1087 F1088 S1093 C1094 H1095 V1096 | E1059-Y1091 PolarHBondContact OE2-OH 2.93Å; A1060-Y1091 HydrophobicContact CB-CE1 4.07Å; L1063-Y1091 HydrophobicContact CD1-CD1 4.38Å; L1063-Y1091 HydrophobicContact CD1-CE1 4.02Å; A1087-Y1091 PolarHBondContact O-N 2.66Å; F1088-Y1091 HydrophobicContact CD2-CD1 4.49Å; F1088-Y1091 HydrophobicContact CE2-CD1 4.27Å; F1088-Y1091 PolarHBondContact O-N 3.38Å; Y1091-S1093 PolarHBondContact O-N 3.44Å; Y1091-C1094 PolarHBondContact O-N 2.78Å; Y1091-H1095 HydrophobicContact CD2-CB 4.28Å; Y1091-H1095 AromaticContact CD2-CE1 3.94Å; Y1091-H1095 AromaticContact CD2-CG 3.85Å; Y1091-H1095 AromaticContact CD2-ND1 3.46Å; Y1091-H1095 WeakPolarHBondContact CD2-ND1 3.32Å; Y1091-H1095 HydrophobicContact CE2-CB 4.12Å; Y1091-H1095 AromaticContact CE2-CG 3.92Å; Y1091-H1095 WeakPolarHBondContact O-CB 3.25Å; Y1091-H1095 PolarHBondContact O-N 2.72Å; Y1091-H1095 PolarHBondContact O-ND1 3.38Å; Y1091-V1096 HydrophobicContact CE1-CG2 4.43Å |
| 1092 | L | 91.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -53.1 | -52.6 | 171.7 | -101.8 | 166.2 | 0 | 0 | 0 | 111.7 | F1088 Q1090 C1094 V1096 R1097 Y1132 L1135 I1139 | F1088-L1092 HydrophobicContact CD1-CD1 3.97Å; F1088-L1092 HydrophobicContact CE1-CD1 3.5Å; F1088-L1092 HydrophobicContact CE1-CG 4Å; F1088-L1092 HydrophobicContact CZ-CD1 4.4Å; F1088-L1092 PolarHBondContact O-N 3.5Å; Q1090-L1092 PolarHBondContact O-N 3.24Å; L1092-C1094 VanDerWaalsContact C-N 3.35Å; L1092-C1094 PolarHBondContact O-N 3.11Å; L1092-V1096 HydrophobicContact CD2-CB 4.11Å; L1092-V1096 HydrophobicContact CD2-CG1 4.38Å; L1092-V1096 HydrophobicContact CD2-CG2 4.09Å; L1092-V1096 WeakPolarHBondContact O-CB 3.16Å; L1092-V1096 PolarHBondContact O-N 2.93Å; L1092-R1097 PolarHBondContact O-N 3.14Å; L1092-Y1132 HydrophobicContact CD2-CD2 3.86Å; L1092-Y1132 HydrophobicContact CD2-CE2 3.72Å; L1092-L1135 HydrophobicContact CD1-CB 4.25Å; L1092-L1135 HydrophobicContact CD2-CB 4.11Å; L1092-I1139 HydrophobicContact CD1-CB 4.41Å; L1092-I1139 HydrophobicContact CD1-CG2 3.7Å |
| 1093 | S | 84.8 | Confident | 89.5 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -71.1 | -23.9 | -175.9 | -170.1 | 0 | 0 | 0 | 0 | 114.5 | Q1089 Q1090 Y1091 | Q1089-S1093 WeakPolarHBondContact O-CB 3.43Å; Q1089-S1093 PolarHBondContact O-N 3.05Å; Q1090-S1093 PolarHBondContact O-N 3.48Å; Y1091-S1093 PolarHBondContact O-N 3.44Å |
| 1094 | C | 85.4 | Confident | 89.7 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -105.2 | -18.7 | -173.9 | -58 | 0 | 0 | 0 | 0 | 114.3 | Q1090 Y1091 L1092 L1098 | Q1090-C1094 VanDerWaalsContact O-CB 3.26Å; Q1090-C1094 WeakPolarHBondContact O-CB 3.42Å; Q1090-C1094 PolarHBondContact O-N 3.09Å; Q1090-C1094 PolarHBondContact O-SG 3.41Å; Y1091-C1094 PolarHBondContact O-N 2.78Å; L1092-C1094 VanDerWaalsContact C-N 3.35Å; L1092-C1094 PolarHBondContact O-N 3.11Å; C1094-L1098 WeakPolarHBondContact O-CD1 3.47Å |
| 1095 | H | 86.1 | Confident | 89.8 | Confident | 100 Ų | 100 | 53 Ų | 53 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -120.9 | -49.7 | -177.7 | -57.6 | 79.1 | 0 | 0 | 0 | 112 | V1056 Y1091 | V1056-H1095 HydrophobicContact CG1-CB 4.34Å; Y1091-H1095 HydrophobicContact CD2-CB 4.28Å; Y1091-H1095 AromaticContact CD2-CE1 3.94Å; Y1091-H1095 AromaticContact CD2-CG 3.85Å; Y1091-H1095 AromaticContact CD2-ND1 3.46Å; Y1091-H1095 WeakPolarHBondContact CD2-ND1 3.32Å; Y1091-H1095 HydrophobicContact CE2-CB 4.12Å; Y1091-H1095 AromaticContact CE2-CG 3.92Å; Y1091-H1095 WeakPolarHBondContact O-CB 3.25Å; Y1091-H1095 PolarHBondContact O-N 2.72Å; Y1091-H1095 PolarHBondContact O-ND1 3.38Å |
| 1096 | V | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -75.3 | -49.5 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | V1056 M1057 A1060 Y1091 L1092 L1098 L1099 L1100 Y1132 | V1056-V1096 HydrophobicContact CG1-CG2 4.12Å; M1057-V1096 HydrophobicContact CE-CB 4.46Å; M1057-V1096 HydrophobicContact CE-CG1 3.42Å; M1057-V1096 VanDerWaalsContact CE-CG1 3.42Å; M1057-V1096 HydrophobicContact CE-CG2 4.22Å; M1057-V1096 HydrophobicContact CG-CG1 4.08Å; M1057-V1096 HydrophobicContact SD-CG1 3.8Å; A1060-V1096 HydrophobicContact CB-CG2 4.14Å; Y1091-V1096 HydrophobicContact CE1-CG2 4.43Å; L1092-V1096 HydrophobicContact CD2-CB 4.11Å; L1092-V1096 HydrophobicContact CD2-CG1 4.38Å; L1092-V1096 HydrophobicContact CD2-CG2 4.09Å; L1092-V1096 WeakPolarHBondContact O-CB 3.16Å; L1092-V1096 PolarHBondContact O-N 2.93Å; V1096-L1098 PolarHBondContact O-N 3.49Å; V1096-L1099 PolarHBondContact O-N 3.36Å; V1096-L1100 WeakPolarHBondContact O-CB 3.42Å; V1096-L1100 PolarHBondContact O-N 3.05Å; V1096-Y1132 HydrophobicContact CB-CD2 4.35Å; V1096-Y1132 HydrophobicContact CG1-CD2 3.74Å; V1096-Y1132 HydrophobicContact CG1-CE2 4.42Å |
| 1097 | R | 91.1 | Very high | 90 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | -174.6 | 179.1 | 165.6 | 172.2 | 177.1 | -8.6 | 112.3 | L1092 L1099 L1100 D1101 Y1132 Q1584 | L1092-R1097 PolarHBondContact O-N 3.14Å; R1097-L1099 PolarHBondContact O-N 3.38Å; R1097-L1100 PolarHBondContact O-N 3.21Å; R1097-D1101 VanDerWaalsContact CG-OD2 3.26Å; R1097-D1101 WeakPolarHBondContact CG-OD2 3.37Å; R1097-D1101 IonicContact NE-OD2 2.61Å; R1097-D1101 PolarHBondContact NE-OD2 2.95Å; R1097-D1101 VanDerWaalsContact O-CB 3.3Å; R1097-D1101 WeakPolarHBondContact O-CB 3.46Å; R1097-D1101 PolarHBondContact O-N 2.88Å; R1097-Y1132 HydrophobicContact CB-CE2 3.93Å; R1097-Q1584 PolarHBondContact NH2-O 3.43Å |
| 1098 | L | 88.6 | Confident | 89.9 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 53% | 0.534 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.9 | -62.1 | -175.8 | 0 | 0 | 0 | 112.2 | C1094 V1096 L1100 D1101 D1102 | C1094-L1098 WeakPolarHBondContact O-CD1 3.47Å; V1096-L1098 PolarHBondContact O-N 3.49Å; L1098-L1100 VanDerWaalsContact C-N 3.34Å; L1098-L1100 PolarHBondContact O-N 2.89Å; L1098-D1101 PolarHBondContact O-N 2.94Å; L1098-D1102 PolarHBondContact O-N 3.33Å |
| 1099 | L | 91.4 | Very high | 89.7 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -32.8 | 177.5 | -67 | 174.2 | 0 | 0 | 0 | 112.8 | C1053 V1056 V1096 R1097 V1103 | C1053-L1099 HydrophobicContact CB-CB 4.16Å; V1056-L1099 HydrophobicContact CB-CD1 4.1Å; V1056-L1099 HydrophobicContact CG2-CD1 3.59Å; V1096-L1099 PolarHBondContact O-N 3.36Å; R1097-L1099 PolarHBondContact O-N 3.38Å; L1099-V1103 WeakPolarHBondContact O-CB 3.28Å; L1099-V1103 VanDerWaalsContact O-CG2 3.25Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.49Å; L1099-V1103 PolarHBondContact O-N 3.38Å |
| 1100 | L | 92.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.9 | -39.2 | 174.6 | -176.3 | 63.1 | 0 | 0 | 0 | 111.7 | V1096 R1097 L1098 V1103 N1104 L1128 Y1132 | V1096-L1100 WeakPolarHBondContact O-CB 3.42Å; V1096-L1100 PolarHBondContact O-N 3.05Å; R1097-L1100 PolarHBondContact O-N 3.21Å; L1098-L1100 VanDerWaalsContact C-N 3.34Å; L1098-L1100 PolarHBondContact O-N 2.89Å; L1100-V1103 PolarHBondContact O-N 3.1Å; L1100-N1104 WeakPolarHBondContact O-CB 3.42Å; L1100-N1104 VanDerWaalsContact O-CG 3.24Å; L1100-N1104 PolarHBondContact O-N 3.48Å; L1100-N1104 PolarHBondContact O-ND2 3.43Å; L1100-L1128 HydrophobicContact CD1-CB 3.97Å; L1100-Y1132 HydrophobicContact CD2-CD1 4.04Å; L1100-Y1132 HydrophobicContact CD2-CD2 4.05Å; L1100-Y1132 HydrophobicContact CD2-CG 3.57Å |
| 1101 | D | 90.5 | Very high | 89.5 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 175 | -70.5 | -18.1 | 0 | 0 | 0 | 109.4 | R1097 L1098 V1103 N1104 D1105 | R1097-D1101 VanDerWaalsContact CG-OD2 3.26Å; R1097-D1101 WeakPolarHBondContact CG-OD2 3.37Å; R1097-D1101 IonicContact NE-OD2 2.61Å; R1097-D1101 PolarHBondContact NE-OD2 2.95Å; R1097-D1101 VanDerWaalsContact O-CB 3.3Å; R1097-D1101 WeakPolarHBondContact O-CB 3.46Å; R1097-D1101 PolarHBondContact O-N 2.88Å; L1098-D1101 PolarHBondContact O-N 2.94Å; D1101-V1103 PolarHBondContact O-N 2.91Å; D1101-N1104 CarbonylContact O-C 3.56Å; D1101-N1104 PolarHBondContact O-N 3.46Å; D1101-D1105 WeakPolarHBondContact O-CB 3.37Å; D1101-D1105 PolarHBondContact O-N 2.83Å |
| 1102 | D | 90.8 | Very high | 89 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.6 | -45 | 171.5 | -77.7 | -34.3 | 0 | 0 | 0 | 112.5 | L1098 D1105 H1106 | L1098-D1102 PolarHBondContact O-N 3.33Å; D1102-D1105 PolarHBondContact O-N 3.17Å; D1102-H1106 PolarHBondContact O-CD2 2.81Å; D1102-H1106 VanDerWaalsContact O-CD2 3.22Å; D1102-H1106 PolarHBondContact O-N 3.22Å |
| 1103 | V | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.7 | 162.9 | 0 | 0 | 0 | 0 | 111.7 | F1046 A1049 I1050 C1053 L1099 L1100 D1101 D1105 S1107 L1125 L1128 | F1046-V1103 HydrophobicContact CE2-CG1 4.15Å; F1046-V1103 WeakPolarHBondContact CE2-O 3.35Å; A1049-V1103 HydrophobicContact CB-CG2 3.64Å; A1049-V1103 VanDerWaalsContact O-CG2 3.26Å; A1049-V1103 WeakPolarHBondContact O-CG2 3.25Å; I1050-V1103 HydrophobicContact CG1-CG1 3.77Å; I1050-V1103 HydrophobicContact CG1-CG2 4.24Å; C1053-V1103 HydrophobicContact CB-CG2 4.03Å; L1099-V1103 WeakPolarHBondContact O-CB 3.28Å; L1099-V1103 VanDerWaalsContact O-CG2 3.25Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.49Å; L1099-V1103 PolarHBondContact O-N 3.38Å; L1100-V1103 PolarHBondContact O-N 3.1Å; D1101-V1103 PolarHBondContact O-N 2.91Å; V1103-D1105 VanDerWaalsContact C-N 3.32Å; V1103-S1107 WeakPolarHBondContact O-CB 3.06Å; V1103-S1107 PolarHBondContact O-N 3.09Å; V1103-L1125 HydrophobicContact CG1-CD1 3.45Å; V1103-L1125 VanDerWaalsContact CG1-CD1 3.45Å; V1103-L1128 HydrophobicContact CG1-CD1 4.49Å |
| 1104 | N | 91.2 | Very high | 88.3 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 175.3 | -74.3 | -32.1 | 0 | 0 | 0 | 111.4 | L1100 D1101 S1107 S1108 L1125 N1129 | L1100-N1104 WeakPolarHBondContact O-CB 3.42Å; L1100-N1104 VanDerWaalsContact O-CG 3.24Å; L1100-N1104 PolarHBondContact O-N 3.48Å; L1100-N1104 PolarHBondContact O-ND2 3.43Å; D1101-N1104 CarbonylContact O-C 3.56Å; D1101-N1104 PolarHBondContact O-N 3.46Å; N1104-S1107 WeakPolarHBondContact O-CB 3.37Å; N1104-S1108 VanDerWaalsContact O-CB 3.32Å; N1104-S1108 WeakPolarHBondContact O-CB 3.47Å; N1104-S1108 PolarHBondContact O-N 3.3Å; N1104-S1108 PolarHBondContact O-OG 2.84Å; N1104-L1125 WeakPolarHBondContact OD1-CD1 3.49Å; N1104-N1129 PolarHBondContact ND2-OD1 3.08Å; N1104-N1129 PolarHBondContact OD1-ND2 2.91Å |
| 1105 | D | 90.4 | Very high | 88.2 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -44.2 | 177.1 | -128.3 | 62.8 | 0 | 0 | 0 | 111.6 | D1101 D1102 V1103 S1107 S1108 R1109 | D1101-D1105 WeakPolarHBondContact O-CB 3.37Å; D1101-D1105 PolarHBondContact O-N 2.83Å; D1102-D1105 PolarHBondContact O-N 3.17Å; V1103-D1105 VanDerWaalsContact C-N 3.32Å; D1105-S1107 PolarHBondContact O-N 3.21Å; D1105-S1108 PolarHBondContact O-N 3.22Å; D1105-R1109 VanDerWaalsContact O-CG 3.22Å; D1105-R1109 WeakPolarHBondContact O-CG 3.45Å; D1105-R1109 PolarHBondContact O-N 3.04Å; D1105-R1109 IonicContact OD2-CZ 2.7Å; D1105-R1109 VanDerWaalsContact OD2-CZ 3.23Å; D1105-R1109 IonicContact OD2-NE 2.73Å; D1105-R1109 PolarHBondContact OD2-NE 2.63Å; D1105-R1109 IonicContact OD2-NH2 3.12Å; D1105-R1109 PolarHBondContact OD2-NH2 2.79Å |
| 1106 | H | 91.5 | Very high | 88 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.2 | -85.7 | -67.9 | 0 | 0 | 0 | 112.3 | L1045 F1046 D1102 L1110 | L1045-H1106 VanDerWaalsContact CB-CE1 3.46Å; L1045-H1106 WeakPolarHBondContact CB-CE1 3.5Å; F1046-H1106 HydrophobicContact CB-CB 3.96Å; F1046-H1106 HydrophobicContact CD2-CB 3.67Å; F1046-H1106 HydrophobicContact CG-CB 4.2Å; D1102-H1106 PolarHBondContact O-CD2 2.81Å; D1102-H1106 VanDerWaalsContact O-CD2 3.22Å; D1102-H1106 PolarHBondContact O-N 3.22Å; H1106-L1110 WeakPolarHBondContact O-CG 3.13Å; H1106-L1110 PolarHBondContact O-N 3.36Å |
| 1107 | S | 91.1 | Very high | 87.8 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 171.5 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | V1103 N1104 D1105 R1109 L1110 L1111 L1117 L1125 | V1103-S1107 WeakPolarHBondContact O-CB 3.06Å; V1103-S1107 PolarHBondContact O-N 3.09Å; N1104-S1107 WeakPolarHBondContact O-CB 3.37Å; D1105-S1107 PolarHBondContact O-N 3.21Å; S1107-R1109 PolarHBondContact O-N 3.42Å; S1107-L1110 PolarHBondContact O-N 3.5Å; S1107-L1111 WeakPolarHBondContact O-CG 3.34Å; S1107-L1111 PolarHBondContact O-N 2.81Å; S1107-L1117 WeakPolarHBondContact OG-CD1 3.13Å; S1107-L1125 VanDerWaalsContact OG-CD2 3.28Å; S1107-L1125 WeakPolarHBondContact OG-CD2 3.04Å |
| 1108 | S | 87.1 | Confident | 87.6 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | -177.5 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | N1104 D1105 L1111 A1112 | N1104-S1108 VanDerWaalsContact O-CB 3.32Å; N1104-S1108 WeakPolarHBondContact O-CB 3.47Å; N1104-S1108 PolarHBondContact O-N 3.3Å; N1104-S1108 PolarHBondContact O-OG 2.84Å; D1105-S1108 PolarHBondContact O-N 3.22Å; S1108-L1111 PolarHBondContact O-N 3.32Å; S1108-A1112 WeakPolarHBondContact O-CB 3.26Å; S1108-A1112 PolarHBondContact O-N 3.47Å |
| 1109 | R | 88.6 | Confident | 87.3 | Confident | 130 Ų | 130 | 60.5 Ų | 60.5 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 175 | -67.3 | 165.8 | -162.1 | -175.2 | 7.2 | 111 | D1105 S1107 L1111 A1112 D1113 | D1105-R1109 VanDerWaalsContact O-CG 3.22Å; D1105-R1109 WeakPolarHBondContact O-CG 3.45Å; D1105-R1109 PolarHBondContact O-N 3.04Å; D1105-R1109 IonicContact OD2-CZ 2.7Å; D1105-R1109 VanDerWaalsContact OD2-CZ 3.23Å; D1105-R1109 IonicContact OD2-NE 2.73Å; D1105-R1109 PolarHBondContact OD2-NE 2.63Å; D1105-R1109 IonicContact OD2-NH2 3.12Å; D1105-R1109 PolarHBondContact OD2-NH2 2.79Å; S1107-R1109 PolarHBondContact O-N 3.42Å; R1109-L1111 VanDerWaalsContact C-N 3.32Å; R1109-L1111 PolarHBondContact O-N 2.84Å; R1109-A1112 PolarHBondContact O-N 3.19Å; R1109-A1112 VanDerWaalsContact O-N 3.14Å; R1109-D1113 PolarHBondContact O-N 2.85Å; R1109-D1113 VanDerWaalsContact O-OD2 3.1Å |
| 1110 | L | 88.4 | Confident | 87 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 174.7 | -75.2 | 165.9 | 0 | 0 | 0 | 112.2 | T1039 K1042 M1043 F1046 H1106 S1107 D1113 N1114 V1115 L1117 | T1039-L1110 HydrophobicContact CG2-CD2 4.44Å; K1042-L1110 HydrophobicContact CB-CD2 3.67Å; K1042-L1110 HydrophobicContact CB-CG 4.3Å; M1043-L1110 HydrophobicContact CE-CD1 4.22Å; M1043-L1110 HydrophobicContact SD-CD1 4.2Å; F1046-L1110 HydrophobicContact CB-CD1 3.8Å; F1046-L1110 HydrophobicContact CD1-CD1 3.62Å; F1046-L1110 HydrophobicContact CE1-CD1 4.38Å; F1046-L1110 HydrophobicContact CG-CD1 3.87Å; H1106-L1110 WeakPolarHBondContact O-CG 3.13Å; H1106-L1110 PolarHBondContact O-N 3.36Å; S1107-L1110 PolarHBondContact O-N 3.5Å; L1110-D1113 CarbonylContact O-C 3.54Å; L1110-D1113 PolarHBondContact O-N 2.81Å; L1110-N1114 PolarHBondContact O-N 3.1Å; L1110-V1115 HydrophobicContact CB-CB 4.3Å; L1110-V1115 HydrophobicContact CD2-CB 4.25Å; L1110-V1115 HydrophobicContact CD2-CG1 4.31Å; L1110-V1115 HydrophobicContact CD2-CG2 4.24Å; L1110-V1115 WeakPolarHBondContact O-CA 3.26Å; L1110-V1115 VanDerWaalsContact O-CB 3.25Å; L1110-V1115 WeakPolarHBondContact O-CB 3.46Å; L1110-V1115 PolarHBondContact O-N 3.24Å; L1110-L1117 HydrophobicContact CB-CD2 4.04Å; L1110-L1117 HydrophobicContact CD1-CD2 3.86Å |
| 1111 | L | 84.5 | Confident | 86.8 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 176.5 | -69.8 | 169.6 | 0 | 0 | 0 | 112.9 | S1107 S1108 R1109 N1114 L1117 | S1107-L1111 WeakPolarHBondContact O-CG 3.34Å; S1107-L1111 PolarHBondContact O-N 2.81Å; S1108-L1111 PolarHBondContact O-N 3.32Å; R1109-L1111 VanDerWaalsContact C-N 3.32Å; R1109-L1111 PolarHBondContact O-N 2.84Å; L1111-N1114 WeakPolarHBondContact O-CA 3.46Å; L1111-N1114 PolarHBondContact O-N 3.17Å; L1111-L1117 HydrophobicContact CD2-CG 4.3Å; L1111-L1117 HydrophobicContact CG-CD1 4.35Å |
| 1112 | A | 81.7 | Confident | 86.7 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.7 | -33.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1108 R1109 N1114 | S1108-A1112 WeakPolarHBondContact O-CB 3.26Å; S1108-A1112 PolarHBondContact O-N 3.47Å; R1109-A1112 PolarHBondContact O-N 3.19Å; R1109-A1112 VanDerWaalsContact O-N 3.14Å; A1112-N1114 PolarHBondContact O-N 2.8Å |
| 1113 | D | 80.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 67 Ų | 67 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 6.8 | 168.2 | -63.3 | -53.6 | 0 | 0 | 0 | 113 | K1042 R1109 L1110 V1115 | K1042-D1113 WeakPolarHBondContact CD-OD2 3.23Å; K1042-D1113 WeakPolarHBondContact CE-OD2 3.45Å; K1042-D1113 IonicContact NZ-OD1 2.69Å; K1042-D1113 PolarHBondContact NZ-OD1 3.39Å; K1042-D1113 IonicContact NZ-OD2 2.75Å; K1042-D1113 PolarHBondContact NZ-OD2 2.97Å; R1109-D1113 PolarHBondContact O-N 2.85Å; R1109-D1113 VanDerWaalsContact O-OD2 3.1Å; L1110-D1113 CarbonylContact O-C 3.54Å; L1110-D1113 PolarHBondContact O-N 2.81Å; D1113-V1115 HydrophobicContact CB-CG2 3.94Å; D1113-V1115 PolarHBondContact O-N 2.9Å |
| 1114 | N | 79.7 | Confident | 86.3 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 16 | -175.3 | -60.7 | -84.6 | 0 | 0 | 0 | 115.7 | L1110 L1111 A1112 R1116 | L1110-N1114 PolarHBondContact O-N 3.1Å; L1111-N1114 WeakPolarHBondContact O-CA 3.46Å; L1111-N1114 PolarHBondContact O-N 3.17Å; A1112-N1114 PolarHBondContact O-N 2.8Å; N1114-R1116 PolarHBondContact O-N 3.2Å |
| 1115 | V | 82.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | trans | -76.7 | 110.6 | -179.9 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | L937 T1039 M1043 L1110 D1113 L1117 | L937-V1115 HydrophobicContact CD1-CG2 4.26Å; T1039-V1115 HydrophobicContact CG2-CB 4.41Å; T1039-V1115 HydrophobicContact CG2-CG1 3.92Å; T1039-V1115 HydrophobicContact CG2-CG2 3.58Å; M1043-V1115 HydrophobicContact CE-CG1 4.27Å; L1110-V1115 HydrophobicContact CB-CB 4.3Å; L1110-V1115 HydrophobicContact CD2-CB 4.25Å; L1110-V1115 HydrophobicContact CD2-CG1 4.31Å; L1110-V1115 HydrophobicContact CD2-CG2 4.24Å; L1110-V1115 WeakPolarHBondContact O-CA 3.26Å; L1110-V1115 VanDerWaalsContact O-CB 3.25Å; L1110-V1115 WeakPolarHBondContact O-CB 3.46Å; L1110-V1115 PolarHBondContact O-N 3.24Å; D1113-V1115 HydrophobicContact CB-CG2 3.94Å; D1113-V1115 PolarHBondContact O-N 2.9Å; V1115-L1117 PolarHBondContact O-N 3.47Å; V1115-L1117 VanDerWaalsContact O-N 3.09Å | ||
| 1116 | R | 82.4 | Confident | 86.3 | Confident | 217 Ų | 217 | 69.2 Ų | 69.2 | 82% | 0.819 | 35% | 0.347 | S | S | * | . | trans | -77.3 | 95.7 | -178 | -66.7 | -175.1 | 179.7 | -174.9 | 1.2 | 111.3 | G939 N1114 | G939-R1116 WeakPolarHBondContact CA-O 3.18Å; N1114-R1116 PolarHBondContact O-N 3.2Å | ||
| 1117 | L | 85.9 | Confident | 86.2 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | trans | -51.9 | 139.8 | 177.1 | -56.9 | -178.3 | 0 | 0 | 0 | 112.8 | G939 M1043 F1046 S1107 L1110 L1111 V1115 I1122 | G939-L1117 CarbonylContact O-C 3.57Å; M1043-L1117 HydrophobicContact CE-CD2 3.94Å; F1046-L1117 HydrophobicContact CD1-CD2 4.32Å; F1046-L1117 HydrophobicContact CE1-CD1 3.87Å; F1046-L1117 HydrophobicContact CE1-CD2 3.9Å; F1046-L1117 HydrophobicContact CE1-CG 4.49Å; F1046-L1117 HydrophobicContact CZ-CD1 4Å; S1107-L1117 WeakPolarHBondContact OG-CD1 3.13Å; L1110-L1117 HydrophobicContact CB-CD2 4.04Å; L1110-L1117 HydrophobicContact CD1-CD2 3.86Å; L1111-L1117 HydrophobicContact CD2-CG 4.3Å; L1111-L1117 HydrophobicContact CG-CD1 4.35Å; V1115-L1117 PolarHBondContact O-N 3.47Å; V1115-L1117 VanDerWaalsContact O-N 3.09Å; L1117-I1122 HydrophobicContact CB-CD1 4.31Å; L1117-I1122 HydrophobicContact CB-CG1 3.95Å; L1117-I1122 WeakPolarHBondContact O-CD1 3.28Å | ||
| 1118 | S | 86.8 | Confident | 86.3 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | trans | -74.6 | 158.1 | -179.2 | 83.3 | 0 | 0 | 0 | 0 | 112.3 | G939 D940 K1120 M1121 I1122 | G939-S1118 WeakPolarHBondContact O-CB 3.33Å; G939-S1118 PolarHBondContact O-N 2.79Å; D940-S1118 PolarHBondContact OD2-OG 2.86Å; S1118-K1120 PolarHBondContact O-N 3.1Å; S1118-K1120 PolarHBondContact OG-N 2.76Å; S1118-M1121 PolarHBondContact O-N 3.33Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.14Å; S1118-I1122 PolarHBondContact O-N 3.06Å | ||
| 1119 | S | 84 | Confident | 86.5 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.5 | -16 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | R1123 | S1119-R1123 WeakPolarHBondContact O-CG 3.28Å; S1119-R1123 PolarHBondContact O-N 3.45Å; S1119-R1123 PolarHBondContact O-NE 3.21Å; S1119-R1123 PolarHBondContact O-NH2 3.02Å |
| 1120 | K | 84.6 | Confident | 86.6 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.8 | -48.8 | 170.4 | 176.5 | -174.2 | 168.9 | -166.8 | 0 | 110.2 | D942 S1118 S1124 | D942-K1120 IonicContact OD2-NZ 2.72Å; D942-K1120 PolarHBondContact OD2-NZ 3.25Å; D942-K1120 VanDerWaalsContact OD2-NZ 3.15Å; S1118-K1120 PolarHBondContact O-N 3.1Å; S1118-K1120 PolarHBondContact OG-N 2.76Å; K1120-S1124 PolarHBondContact O-N 2.79Å |
| 1121 | M | 87.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.9 | -43.6 | -179.5 | -59.4 | -44.6 | -160.6 | 0 | 0 | 112.3 | D940 F1046 D1047 S1118 R1123 S1124 L1125 | D940-M1121 HydrophobicContact CB-CE 4.25Å; F1046-M1121 HydrophobicContact CE1-CB 4.12Å; D1047-M1121 HydrophobicContact CB-CE 4.46Å; D1047-M1121 WeakPolarHBondContact OD1-CE 3.45Å; S1118-M1121 PolarHBondContact O-N 3.33Å; M1121-R1123 PolarHBondContact O-N 3.12Å; M1121-S1124 WeakPolarHBondContact O-CB 3.38Å; M1121-S1124 PolarHBondContact O-N 3.05Å; M1121-L1125 PolarHBondContact O-N 2.87Å |
| 1122 | I | 87.9 | Confident | 87.2 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 177.8 | -66.7 | 170.1 | 0 | 0 | 0 | 110.8 | L1117 S1118 S1124 L1125 E1126 | L1117-I1122 HydrophobicContact CB-CD1 4.31Å; L1117-I1122 HydrophobicContact CB-CG1 3.95Å; L1117-I1122 WeakPolarHBondContact O-CD1 3.28Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.14Å; S1118-I1122 PolarHBondContact O-N 3.06Å; I1122-S1124 VanDerWaalsContact C-N 3.26Å; I1122-S1124 PolarHBondContact O-N 3.39Å; I1122-L1125 WeakPolarHBondContact O-CB 3.41Å; I1122-L1125 PolarHBondContact O-N 3.28Å; I1122-L1125 VanDerWaalsContact O-N 3.12Å; I1122-E1126 HydrophobicContact CG2-CG 4.21Å; I1122-E1126 WeakPolarHBondContact O-CB 3.4Å; I1122-E1126 VanDerWaalsContact O-CG 3.31Å; I1122-E1126 WeakPolarHBondContact O-CG 3.2Å; I1122-E1126 PolarHBondContact O-N 2.97Å |
| 1123 | R | 86.7 | Confident | 87.5 | Confident | 158 Ų | 158 | 69.2 Ų | 69.2 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.3 | -29.3 | 177.4 | -77 | 179.5 | -69.4 | 165.6 | -3 | 113.7 | S1119 M1121 E1126 S1127 | S1119-R1123 WeakPolarHBondContact O-CG 3.28Å; S1119-R1123 PolarHBondContact O-N 3.45Å; S1119-R1123 PolarHBondContact O-NE 3.21Å; S1119-R1123 PolarHBondContact O-NH2 3.02Å; M1121-R1123 PolarHBondContact O-N 3.12Å; R1123-E1126 WeakPolarHBondContact CA-OE2 3.44Å; R1123-S1127 WeakPolarHBondContact O-CB 3.27Å; R1123-S1127 PolarHBondContact O-N 3.49Å |
| 1124 | S | 88.8 | Confident | 88 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 173.8 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | I1050 K1054 K1120 M1121 I1122 S1127 L1128 | I1050-S1124 WeakPolarHBondContact CG2-OG 3.47Å; K1054-S1124 VanDerWaalsContact CE-OG 3.29Å; K1054-S1124 WeakPolarHBondContact CE-OG 3.38Å; K1120-S1124 PolarHBondContact O-N 2.79Å; M1121-S1124 WeakPolarHBondContact O-CB 3.38Å; M1121-S1124 PolarHBondContact O-N 3.05Å; I1122-S1124 VanDerWaalsContact C-N 3.26Å; I1122-S1124 PolarHBondContact O-N 3.39Å; S1124-S1127 PolarHBondContact O-N 2.78Å; S1124-L1128 WeakPolarHBondContact O-CG 3.45Å; S1124-L1128 PolarHBondContact O-N 3.11Å; S1124-L1128 VanDerWaalsContact O-N 3.13Å |
| 1125 | L | 91.3 | Very high | 88.5 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.1 | -176.7 | 66.6 | 0 | 0 | 0 | 112 | F1046 V1103 N1104 S1107 M1121 I1122 L1128 N1129 | F1046-L1125 HydrophobicContact CE2-CD1 4.43Å; V1103-L1125 HydrophobicContact CG1-CD1 3.45Å; V1103-L1125 VanDerWaalsContact CG1-CD1 3.45Å; N1104-L1125 WeakPolarHBondContact OD1-CD1 3.49Å; S1107-L1125 VanDerWaalsContact OG-CD2 3.28Å; S1107-L1125 WeakPolarHBondContact OG-CD2 3.04Å; M1121-L1125 PolarHBondContact O-N 2.87Å; I1122-L1125 WeakPolarHBondContact O-CB 3.41Å; I1122-L1125 PolarHBondContact O-N 3.28Å; I1122-L1125 VanDerWaalsContact O-N 3.12Å; L1125-L1128 PolarHBondContact O-N 2.96Å; L1125-N1129 WeakPolarHBondContact O-CB 3.48Å; L1125-N1129 PolarHBondContact O-N 3.36Å; L1125-N1129 PolarHBondContact O-ND2 2.92Å |
| 1126 | E | 89.7 | Confident | 88.9 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.7 | -71 | 171.1 | 150.9 | 0 | 0 | 111.6 | I1122 R1123 N1129 L1130 | I1122-E1126 HydrophobicContact CG2-CG 4.21Å; I1122-E1126 WeakPolarHBondContact O-CB 3.4Å; I1122-E1126 VanDerWaalsContact O-CG 3.31Å; I1122-E1126 WeakPolarHBondContact O-CG 3.2Å; I1122-E1126 PolarHBondContact O-N 2.97Å; R1123-E1126 WeakPolarHBondContact CA-OE2 3.44Å; E1126-N1129 PolarHBondContact O-N 3.33Å; E1126-L1130 VanDerWaalsContact O-CB 3.29Å; E1126-L1130 WeakPolarHBondContact O-CB 3.37Å; E1126-L1130 PolarHBondContact O-N 3.44Å |
| 1127 | S | 90.9 | Very high | 89.1 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 44% | 0.441 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | R1123 S1124 R1131 | R1123-S1127 WeakPolarHBondContact O-CB 3.27Å; R1123-S1127 PolarHBondContact O-N 3.49Å; S1124-S1127 PolarHBondContact O-N 2.78Å; S1127-R1131 WeakPolarHBondContact O-CB 3.32Å; S1127-R1131 WeakPolarHBondContact O-CG 3.35Å; S1127-R1131 PolarHBondContact O-N 3.46Å |
| 1128 | L | 92.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 174.8 | -71.9 | 172.2 | 0 | 0 | 0 | 111.7 | I1050 C1053 K1054 M1057 L1100 V1103 S1124 L1125 L1130 R1131 Y1132 | I1050-L1128 HydrophobicContact CG1-CD1 4.45Å; I1050-L1128 HydrophobicContact CG2-CD1 4.35Å; C1053-L1128 HydrophobicContact CB-CD1 4.11Å; C1053-L1128 HydrophobicContact CB-CD2 4.48Å; K1054-L1128 HydrophobicContact CG-CD2 3.93Å; M1057-L1128 HydrophobicContact CG-CD2 4.03Å; L1100-L1128 HydrophobicContact CD1-CB 3.97Å; V1103-L1128 HydrophobicContact CG1-CD1 4.49Å; S1124-L1128 WeakPolarHBondContact O-CG 3.45Å; S1124-L1128 PolarHBondContact O-N 3.11Å; S1124-L1128 VanDerWaalsContact O-N 3.13Å; L1125-L1128 PolarHBondContact O-N 2.96Å; L1128-L1130 VanDerWaalsContact C-N 3.3Å; L1128-L1130 PolarHBondContact O-N 3.11Å; L1128-R1131 PolarHBondContact O-N 3.38Å; L1128-Y1132 PolarHBondContact O-N 3.45Å |
| 1129 | N | 92.2 | Very high | 89.5 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 178 | -83.8 | -81 | 0 | 0 | 0 | 112.6 | N1104 L1125 E1126 K1133 | N1104-N1129 PolarHBondContact ND2-OD1 3.08Å; N1104-N1129 PolarHBondContact OD1-ND2 2.91Å; L1125-N1129 WeakPolarHBondContact O-CB 3.48Å; L1125-N1129 PolarHBondContact O-N 3.36Å; L1125-N1129 PolarHBondContact O-ND2 2.92Å; E1126-N1129 PolarHBondContact O-N 3.33Å; N1129-K1133 WeakPolarHBondContact O-CG 3.31Å; N1129-K1133 PolarHBondContact O-N 3.27Å |
| 1130 | L | 89.7 | Confident | 89.7 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.1 | -47.7 | 176 | -178.6 | 60.7 | 0 | 0 | 0 | 111.8 | E1126 L1128 Y1132 K1133 E1134 | E1126-L1130 VanDerWaalsContact O-CB 3.29Å; E1126-L1130 WeakPolarHBondContact O-CB 3.37Å; E1126-L1130 PolarHBondContact O-N 3.44Å; L1128-L1130 VanDerWaalsContact C-N 3.3Å; L1128-L1130 PolarHBondContact O-N 3.11Å; L1130-Y1132 VanDerWaalsContact C-N 3.32Å; L1130-Y1132 PolarHBondContact O-N 3.11Å; L1130-K1133 PolarHBondContact O-N 3.06Å; L1130-K1133 VanDerWaalsContact O-N 3.11Å; L1130-E1134 PolarHBondContact O-N 3.06Å |
| 1131 | R | 91.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 178.3 | -75.6 | 179.5 | 66.9 | -168.1 | 1.1 | 112.5 | M1057 N1058 D1061 S1127 L1128 E1134 L1135 | M1057-R1131 PolarHBondContact O-NH2 3.29Å; M1057-R1131 HydrophobicContact SD-CB 3.96Å; N1058-R1131 PolarHBondContact OD1-NH1 2.85Å; N1058-R1131 PolarHBondContact OD1-NH2 3.43Å; D1061-R1131 IonicContact OD2-CZ 2.99Å; D1061-R1131 IonicContact OD2-NE 3.58Å; D1061-R1131 PolarHBondContact OD2-NE 3.35Å; D1061-R1131 IonicContact OD2-NH2 3.9Å; D1061-R1131 PolarHBondContact OD2-NH2 3.17Å; S1127-R1131 WeakPolarHBondContact O-CB 3.32Å; S1127-R1131 WeakPolarHBondContact O-CG 3.35Å; S1127-R1131 PolarHBondContact O-N 3.46Å; L1128-R1131 PolarHBondContact O-N 3.38Å; R1131-E1134 PolarHBondContact O-N 3.48Å; R1131-L1135 WeakPolarHBondContact O-CB 3.48Å; R1131-L1135 PolarHBondContact O-N 2.79Å |
| 1132 | Y | 93.1 | Very high | 89.9 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 171.9 | 175.6 | -88.4 | 0 | 0 | 0 | 111.3 | L1092 V1096 R1097 L1100 L1128 L1130 E1134 L1135 E1136 | L1092-Y1132 HydrophobicContact CD2-CD2 3.86Å; L1092-Y1132 HydrophobicContact CD2-CE2 3.72Å; V1096-Y1132 HydrophobicContact CB-CD2 4.35Å; V1096-Y1132 HydrophobicContact CG1-CD2 3.74Å; V1096-Y1132 HydrophobicContact CG1-CE2 4.42Å; R1097-Y1132 HydrophobicContact CB-CE2 3.93Å; L1100-Y1132 HydrophobicContact CD2-CD1 4.04Å; L1100-Y1132 HydrophobicContact CD2-CD2 4.05Å; L1100-Y1132 HydrophobicContact CD2-CG 3.57Å; L1128-Y1132 PolarHBondContact O-N 3.45Å; L1130-Y1132 VanDerWaalsContact C-N 3.32Å; L1130-Y1132 PolarHBondContact O-N 3.11Å; Y1132-E1134 VanDerWaalsContact C-N 3.34Å; Y1132-E1134 PolarHBondContact O-N 3.4Å; Y1132-L1135 PolarHBondContact O-N 2.98Å; Y1132-L1135 VanDerWaalsContact O-N 3.13Å; Y1132-E1136 HydrophobicContact CD1-CB 4.49Å; Y1132-E1136 HydrophobicContact CE1-CB 4.05Å; Y1132-E1136 VanDerWaalsContact CE1-CD 3.42Å; Y1132-E1136 HydrophobicContact CE1-CG 4.3Å; Y1132-E1136 VanDerWaalsContact CE1-OE1 3.24Å; Y1132-E1136 WeakPolarHBondContact CE1-OE1 3.43Å; Y1132-E1136 VanDerWaalsContact CZ-OE1 3.31Å; Y1132-E1136 WeakPolarHBondContact O-CB 3.27Å; Y1132-E1136 PolarHBondContact O-N 2.99Å; Y1132-E1136 PolarHBondContact OH-OE1 3Å |
| 1133 | K | 89.3 | Confident | 89.8 | Confident | 128 Ų | 128 | 56.6 Ų | 56.6 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -37.2 | 178.6 | -73.3 | 174.5 | -179.9 | 178.3 | 0 | 113 | N1129 L1130 G1137 | N1129-K1133 WeakPolarHBondContact O-CG 3.31Å; N1129-K1133 PolarHBondContact O-N 3.27Å; L1130-K1133 PolarHBondContact O-N 3.06Å; L1130-K1133 VanDerWaalsContact O-N 3.11Å; K1133-G1137 PolarHBondContact O-N 3.04Å |
| 1134 | E | 89.8 | Confident | 89.6 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 173.8 | -72.7 | -174.8 | -178.1 | 0 | 0 | 112.7 | L1130 R1131 Y1132 A1138 | L1130-E1134 PolarHBondContact O-N 3.06Å; R1131-E1134 PolarHBondContact O-N 3.48Å; Y1132-E1134 VanDerWaalsContact C-N 3.34Å; Y1132-E1134 PolarHBondContact O-N 3.4Å; E1134-A1138 WeakPolarHBondContact O-CB 3.43Å; E1134-A1138 PolarHBondContact O-N 3.13Å |
| 1135 | L | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.8 | -43 | 176.4 | -88.7 | 156 | 0 | 0 | 0 | 112.4 | M1057 A1060 K1064 F1088 L1092 R1131 Y1132 A1138 I1139 | M1057-L1135 HydrophobicContact CE-CD1 3.19Å; M1057-L1135 HydrophobicContact SD-CD1 4.46Å; A1060-L1135 HydrophobicContact CB-CD1 3.97Å; A1060-L1135 HydrophobicContact CB-CD2 4.39Å; K1064-L1135 HydrophobicContact CB-CD2 4.07Å; K1064-L1135 HydrophobicContact CD-CD2 3.41Å; K1064-L1135 VanDerWaalsContact CD-CD2 3.41Å; K1064-L1135 HydrophobicContact CD-CG 4.18Å; K1064-L1135 HydrophobicContact CG-CD2 4.41Å; F1088-L1135 HydrophobicContact CE1-CD2 4.15Å; F1088-L1135 HydrophobicContact CZ-CD2 3.88Å; L1092-L1135 HydrophobicContact CD1-CB 4.25Å; L1092-L1135 HydrophobicContact CD2-CB 4.11Å; R1131-L1135 WeakPolarHBondContact O-CB 3.48Å; R1131-L1135 PolarHBondContact O-N 2.79Å; Y1132-L1135 PolarHBondContact O-N 2.98Å; Y1132-L1135 VanDerWaalsContact O-N 3.13Å; L1135-A1138 PolarHBondContact O-N 3.31Å; L1135-I1139 PolarHBondContact O-N 2.8Å |
| 1136 | E | 91.1 | Very high | 89.1 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.8 | -175.4 | 174.5 | -111.6 | 0 | 0 | 111.4 | Y1132 I1139 T1140 | Y1132-E1136 HydrophobicContact CD1-CB 4.49Å; Y1132-E1136 HydrophobicContact CE1-CB 4.05Å; Y1132-E1136 VanDerWaalsContact CE1-CD 3.42Å; Y1132-E1136 HydrophobicContact CE1-CG 4.3Å; Y1132-E1136 VanDerWaalsContact CE1-OE1 3.24Å; Y1132-E1136 WeakPolarHBondContact CE1-OE1 3.43Å; Y1132-E1136 VanDerWaalsContact CZ-OE1 3.31Å; Y1132-E1136 WeakPolarHBondContact O-CB 3.27Å; Y1132-E1136 PolarHBondContact O-N 2.99Å; Y1132-E1136 PolarHBondContact OH-OE1 3Å; E1136-I1139 WeakPolarHBondContact O-CG2 3.24Å; E1136-I1139 PolarHBondContact O-N 2.92Å; E1136-T1140 VanDerWaalsContact O-CB 3.24Å; E1136-T1140 WeakPolarHBondContact O-CB 3.44Å; E1136-T1140 PolarHBondContact O-N 3.33Å; E1136-T1140 PolarHBondContact O-OG1 3.07Å |
| 1137 | G | 86.7 | Confident | 88.6 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1133 T1140 N1141 | K1133-G1137 PolarHBondContact O-N 3.04Å; G1137-T1140 PolarHBondContact O-N 2.88Å; G1137-N1141 VanDerWaalsContact O-CB 3.26Å; G1137-N1141 WeakPolarHBondContact O-CB 3.39Å; G1137-N1141 PolarHBondContact O-N 3.4Å |
| 1138 | A | 89.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1064 W1067 E1134 L1135 R1142 | K1064-A1138 HydrophobicContact CD-CB 4.37Å; W1067-A1138 HydrophobicContact CZ3-CB 4.18Å; E1134-A1138 WeakPolarHBondContact O-CB 3.43Å; E1134-A1138 PolarHBondContact O-N 3.13Å; L1135-A1138 PolarHBondContact O-N 3.31Å; A1138-R1142 WeakPolarHBondContact O-CB 3.44Å; A1138-R1142 PolarHBondContact O-N 2.91Å; A1138-R1142 VanDerWaalsContact O-N 3.07Å |
| 1139 | I | 91.8 | Very high | 87 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 176.6 | -167.4 | 60.3 | 0 | 0 | 0 | 111.8 | W1067 A1085 F1088 Q1089 L1092 L1135 E1136 N1141 R1142 V1143 | W1067-I1139 HydrophobicContact CH2-CB 4.01Å; W1067-I1139 HydrophobicContact CH2-CD1 3.73Å; W1067-I1139 HydrophobicContact CH2-CG1 4.45Å; W1067-I1139 HydrophobicContact CZ2-CD1 3.84Å; W1067-I1139 HydrophobicContact CZ3-CD1 4.43Å; A1085-I1139 HydrophobicContact CB-CD1 3.99Å; A1085-I1139 WeakPolarHBondContact O-CD1 3.33Å; F1088-I1139 HydrophobicContact CB-CD1 4.16Å; F1088-I1139 HydrophobicContact CD1-CB 4.05Å; F1088-I1139 HydrophobicContact CD1-CD1 3.87Å; F1088-I1139 HydrophobicContact CD1-CG1 3.89Å; F1088-I1139 HydrophobicContact CE1-CB 4.43Å; F1088-I1139 HydrophobicContact CG-CD1 4.41Å; Q1089-I1139 HydrophobicContact CB-CG1 4.01Å; Q1089-I1139 HydrophobicContact CG-CG2 4.36Å; L1092-I1139 HydrophobicContact CD1-CB 4.41Å; L1092-I1139 HydrophobicContact CD1-CG2 3.7Å; L1135-I1139 PolarHBondContact O-N 2.8Å; E1136-I1139 WeakPolarHBondContact O-CG2 3.24Å; E1136-I1139 PolarHBondContact O-N 2.92Å; I1139-N1141 PolarHBondContact O-N 3.47Å; I1139-R1142 HydrophobicContact CD1-CB 4.42Å; I1139-R1142 PolarHBondContact O-N 3.49Å; I1139-R1142 VanDerWaalsContact O-N 3.13Å; I1139-V1143 HydrophobicContact CD1-CG2 4.47Å; I1139-V1143 HydrophobicContact CG1-CG2 4.3Å; I1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; I1139-V1143 PolarHBondContact O-N 3.36Å |
| 1140 | T | 87.2 | Confident | 86 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | E1136 G1137 V1143 A1144 | E1136-T1140 VanDerWaalsContact O-CB 3.24Å; E1136-T1140 WeakPolarHBondContact O-CB 3.44Å; E1136-T1140 PolarHBondContact O-N 3.33Å; E1136-T1140 PolarHBondContact O-OG1 3.07Å; G1137-T1140 PolarHBondContact O-N 2.88Å; T1140-V1143 PolarHBondContact O-N 2.95Å; T1140-A1144 WeakPolarHBondContact O-CB 3.24Å; T1140-A1144 PolarHBondContact O-N 2.97Å |
| 1141 | N | 86.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 173 | -172.3 | -8.6 | 0 | 0 | 0 | 111.3 | G1137 I1139 V1143 A1144 L1145 | G1137-N1141 VanDerWaalsContact O-CB 3.26Å; G1137-N1141 WeakPolarHBondContact O-CB 3.39Å; G1137-N1141 PolarHBondContact O-N 3.4Å; I1139-N1141 PolarHBondContact O-N 3.47Å; N1141-V1143 PolarHBondContact O-N 3.5Å; N1141-A1144 PolarHBondContact O-N 3.39Å; N1141-L1145 WeakPolarHBondContact O-CB 3.28Å; N1141-L1145 VanDerWaalsContact O-CG 3.31Å; N1141-L1145 WeakPolarHBondContact O-CG 3.43Å; N1141-L1145 PolarHBondContact O-N 3.22Å; N1141-L1145 WeakPolarHBondContact OD1-CD1 3.32Å |
| 1142 | R | 89.5 | Confident | 83.6 | Confident | 35 Ų | 35 | 59 Ų | 59 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.9 | -178.1 | 169.8 | -172.9 | 80.3 | 0.5 | 112.9 | W1067 K1068 A1138 I1139 L1145 I1146 | W1067-R1142 VanDerWaalsContact CE3-CD 3.44Å; W1067-R1142 HydrophobicContact CZ3-CB 4.38Å; K1068-R1142 VanDerWaalsContact O-CZ 3.29Å; K1068-R1142 PolarHBondContact O-NH1 3.28Å; K1068-R1142 PolarHBondContact O-NH2 3.31Å; A1138-R1142 WeakPolarHBondContact O-CB 3.44Å; A1138-R1142 PolarHBondContact O-N 2.91Å; A1138-R1142 VanDerWaalsContact O-N 3.07Å; I1139-R1142 HydrophobicContact CD1-CB 4.42Å; I1139-R1142 PolarHBondContact O-N 3.49Å; I1139-R1142 VanDerWaalsContact O-N 3.13Å; R1142-L1145 PolarHBondContact O-N 3.47Å; R1142-I1146 HydrophobicContact CG-CD1 3.87Å; R1142-I1146 VanDerWaalsContact O-CG1 3.31Å; R1142-I1146 WeakPolarHBondContact O-CG1 3.47Å; R1142-I1146 PolarHBondContact O-N 3.48Å; R1142-I1146 VanDerWaalsContact O-N 3.1Å |
| 1143 | V | 87.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 109.7 | M1082 A1085 I1139 T1140 N1141 L1145 I1146 Q1147 | M1082-V1143 HydrophobicContact SD-CG1 4.08Å; A1085-V1143 HydrophobicContact CB-CG2 3.84Å; I1139-V1143 HydrophobicContact CD1-CG2 4.47Å; I1139-V1143 HydrophobicContact CG1-CG2 4.3Å; I1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; I1139-V1143 PolarHBondContact O-N 3.36Å; T1140-V1143 PolarHBondContact O-N 2.95Å; N1141-V1143 PolarHBondContact O-N 3.5Å; V1143-L1145 VanDerWaalsContact C-N 3.35Å; V1143-L1145 PolarHBondContact O-N 2.7Å; V1143-I1146 PolarHBondContact O-N 2.8Å; V1143-Q1147 HydrophobicContact CG1-CG 4.16Å; V1143-Q1147 WeakPolarHBondContact O-CB 3.23Å; V1143-Q1147 WeakPolarHBondContact O-CG 3.46Å; V1143-Q1147 PolarHBondContact O-N 3.49Å |
| 1144 | A | 81.8 | Confident | 81.2 | Confident | 51 Ų | 51 | 59 Ų | 59 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | T1140 N1141 Q1147 Y1148 | T1140-A1144 WeakPolarHBondContact O-CB 3.24Å; T1140-A1144 PolarHBondContact O-N 2.97Å; N1141-A1144 PolarHBondContact O-N 3.39Å; A1144-Q1147 PolarHBondContact O-N 3.19Å; A1144-Y1148 VanDerWaalsContact O-CB 3.28Å; A1144-Y1148 WeakPolarHBondContact O-CB 3.46Å; A1144-Y1148 PolarHBondContact O-N 3.24Å |
| 1145 | L | 84.4 | Confident | 79.8 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 177.4 | -72.4 | 170.2 | 0 | 0 | 0 | 112.9 | V1070 N1141 R1142 V1143 A1149 | V1070-L1145 HydrophobicContact CG1-CB 4.46Å; V1070-L1145 HydrophobicContact CG2-CB 3.98Å; V1070-L1145 HydrophobicContact CG2-CD1 4.32Å; N1141-L1145 WeakPolarHBondContact O-CB 3.28Å; N1141-L1145 VanDerWaalsContact O-CG 3.31Å; N1141-L1145 WeakPolarHBondContact O-CG 3.43Å; N1141-L1145 PolarHBondContact O-N 3.22Å; N1141-L1145 WeakPolarHBondContact OD1-CD1 3.32Å; R1142-L1145 PolarHBondContact O-N 3.47Å; V1143-L1145 VanDerWaalsContact C-N 3.35Å; V1143-L1145 PolarHBondContact O-N 2.7Å; L1145-A1149 PolarHBondContact O-N 3.22Å; L1145-A1149 VanDerWaalsContact O-N 3.08Å |
| 1146 | I | 84.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.5 | -35 | 177.7 | -56.8 | 166.6 | 0 | 0 | 0 | 110.2 | V1070 I1073 L1078 M1082 A1085 R1142 V1143 A1149 L1150 | V1070-I1146 HydrophobicContact CG1-CG1 4.24Å; V1070-I1146 HydrophobicContact CG2-CG1 4.1Å; I1073-I1146 HydrophobicContact CD1-CD1 4.38Å; I1073-I1146 HydrophobicContact CD1-CG1 4.42Å; L1078-I1146 HydrophobicContact CD2-CG2 4.05Å; M1082-I1146 HydrophobicContact CB-CG2 4.28Å; M1082-I1146 HydrophobicContact CE-CB 3.61Å; M1082-I1146 HydrophobicContact CE-CG2 3.62Å; A1085-I1146 HydrophobicContact CB-CD1 4.4Å; R1142-I1146 HydrophobicContact CG-CD1 3.87Å; R1142-I1146 VanDerWaalsContact O-CG1 3.31Å; R1142-I1146 WeakPolarHBondContact O-CG1 3.47Å; R1142-I1146 PolarHBondContact O-N 3.48Å; R1142-I1146 VanDerWaalsContact O-N 3.1Å; V1143-I1146 PolarHBondContact O-N 2.8Å; I1146-A1149 PolarHBondContact O-N 3.3Å; I1146-L1150 HydrophobicContact CG2-CD1 4.26Å; I1146-L1150 WeakPolarHBondContact O-CB 3.22Å; I1146-L1150 WeakPolarHBondContact O-CG 3.35Å; I1146-L1150 PolarHBondContact O-N 3.3Å |
| 1147 | Q | 80.1 | Confident | 77.1 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 170.2 | -77 | -177.4 | -7.6 | 0 | 0 | 111.5 | M1082 V1143 A1144 L1150 R1151 | M1082-Q1147 HydrophobicContact CE-CB 4.2Å; M1082-Q1147 HydrophobicContact CE-CG 3.47Å; M1082-Q1147 VanDerWaalsContact CE-CG 3.47Å; M1082-Q1147 VanDerWaalsContact CE-N 3.33Å; M1082-Q1147 HydrophobicContact SD-CG 4.31Å; V1143-Q1147 HydrophobicContact CG1-CG 4.16Å; V1143-Q1147 WeakPolarHBondContact O-CB 3.23Å; V1143-Q1147 WeakPolarHBondContact O-CG 3.46Å; V1143-Q1147 PolarHBondContact O-N 3.49Å; A1144-Q1147 PolarHBondContact O-N 3.19Å; Q1147-L1150 PolarHBondContact O-N 2.81Å; Q1147-R1151 WeakPolarHBondContact O-CB 3.48Å; Q1147-R1151 PolarHBondContact O-N 3.13Å |
| 1148 | Y | 73.8 | Confident | 76.5 | Confident | 136 Ų | 136 | 61 Ų | 61 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.7 | 179.2 | -99.6 | 0 | 0 | 0 | 111.7 | A1144 R1151 N1152 | A1144-Y1148 VanDerWaalsContact O-CB 3.28Å; A1144-Y1148 WeakPolarHBondContact O-CB 3.46Å; A1144-Y1148 PolarHBondContact O-N 3.24Å; Y1148-R1151 PolarHBondContact O-N 2.73Å; Y1148-N1152 WeakPolarHBondContact CD2-ND2 3.44Å; Y1148-N1152 WeakPolarHBondContact CE1-ND2 3.46Å; Y1148-N1152 WeakPolarHBondContact CE2-ND2 2.98Å; Y1148-N1152 WeakPolarHBondContact O-CB 3.44Å; Y1148-N1152 PolarHBondContact O-N 3.06Å; Y1148-N1152 VanDerWaalsContact O-N 3.08Å; Y1148-N1152 PolarHBondContact O-ND2 3.2Å |
| 1149 | A | 74.6 | Confident | 75.9 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1078 L1145 I1146 N1152 Y1153 | L1078-A1149 HydrophobicContact CD1-CB 3.95Å; L1078-A1149 HydrophobicContact CD2-CB 3.78Å; L1145-A1149 PolarHBondContact O-N 3.22Å; L1145-A1149 VanDerWaalsContact O-N 3.08Å; I1146-A1149 PolarHBondContact O-N 3.3Å; A1149-N1152 PolarHBondContact O-N 3.33Å; A1149-Y1153 PolarHBondContact O-N 2.64Å |
| 1150 | L | 71.4 | Confident | 75.5 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 175 | -78.6 | 163.3 | 0 | 0 | 0 | 112.9 | L1078 P1079 M1082 I1146 Q1147 G1154 | L1078-L1150 HydrophobicContact CB-CD2 4.03Å; L1078-L1150 HydrophobicContact CB-CG 4.28Å; P1079-L1150 HydrophobicContact CG-CD2 4.38Å; M1082-L1150 HydrophobicContact CB-CD1 4.15Å; M1082-L1150 HydrophobicContact CE-CD1 3.95Å; M1082-L1150 HydrophobicContact CG-CD1 4.44Å; I1146-L1150 HydrophobicContact CG2-CD1 4.26Å; I1146-L1150 WeakPolarHBondContact O-CB 3.22Å; I1146-L1150 WeakPolarHBondContact O-CG 3.35Å; I1146-L1150 PolarHBondContact O-N 3.3Å; Q1147-L1150 PolarHBondContact O-N 2.81Å; L1150-G1154 WeakPolarHBondContact O-CA 3.48Å; L1150-G1154 PolarHBondContact O-N 3.32Å |
| 1151 | R | 67.2 | Low | 75.5 | Confident | 164 Ų | 164 | 64.1 Ų | 64.1 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 178.5 | -169.6 | -171.4 | 73.7 | 174.4 | 6.7 | 112 | Q1147 Y1148 S1157 | Q1147-R1151 WeakPolarHBondContact O-CB 3.48Å; Q1147-R1151 PolarHBondContact O-N 3.13Å; Y1148-R1151 PolarHBondContact O-N 2.73Å; R1151-S1157 WeakPolarHBondContact O-CB 3.48Å |
| 1152 | N | 65.3 | Low | 75.4 | Confident | 31 Ų | 31 | 63.3 Ų | 63.3 | 17% | 0.166 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -89.4 | -27.5 | -170.7 | -56.6 | -18.6 | 0 | 0 | 0 | 113 | Y1148 A1149 S1157 H1159 | Y1148-N1152 WeakPolarHBondContact CD2-ND2 3.44Å; Y1148-N1152 WeakPolarHBondContact CE1-ND2 3.46Å; Y1148-N1152 WeakPolarHBondContact CE2-ND2 2.98Å; Y1148-N1152 WeakPolarHBondContact O-CB 3.44Å; Y1148-N1152 PolarHBondContact O-N 3.06Å; Y1148-N1152 VanDerWaalsContact O-N 3.08Å; Y1148-N1152 PolarHBondContact O-ND2 3.2Å; A1149-N1152 PolarHBondContact O-N 3.33Å; N1152-S1157 WeakPolarHBondContact O-CB 3.48Å; N1152-H1159 PolarHBondContact O-CD2 2.89Å |
| 1153 | Y | 67.9 | Low | 75.1 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 53% | 0.525 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -126.9 | 3 | -175.5 | -51.5 | -68.7 | 0 | 0 | 0 | 114.5 | L1075 A1149 H1159 | L1075-Y1153 HydrophobicContact CD2-CG 4.39Å; A1149-Y1153 PolarHBondContact O-N 2.64Å; Y1153-H1159 AromaticContact CD1-CD2 3.73Å; Y1153-H1159 AromaticContact CE1-CD2 3.58Å; Y1153-H1159 AromaticContact CE1-NE2 3.56Å |
| 1154 | G | 64 | Low | 75.2 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 12% | 0.124 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.3 | 176 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1150 S1156 S1157 | L1150-G1154 WeakPolarHBondContact O-CA 3.48Å; L1150-G1154 PolarHBondContact O-N 3.32Å; G1154-S1156 VanDerWaalsContact C-N 3.27Å; G1154-S1156 PolarHBondContact O-N 3.48Å; G1154-S1156 VanDerWaalsContact O-N 3.13Å; G1154-S1157 VanDerWaalsContact O-CB 3.27Å; G1154-S1157 WeakPolarHBondContact O-CB 3.32Å; G1154-S1157 PolarHBondContact O-N 2.91Å; G1154-S1157 VanDerWaalsContact O-N 3.1Å; G1154-S1157 PolarHBondContact O-OG 3.19Å |
| 1155 | P | 59.2 | Low | 75.5 | Confident | 130 Ų | 130 | 62.9 Ų | 62.9 | 84% | 0.844 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.4 | -168.8 | -26.2 | 35.8 | 0 | 0 | 0 | 115.9 | ||
| 1156 | S | 59.6 | Low | 75.7 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 56% | 0.559 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 11.4 | -178.9 | -47.5 | 0 | 0 | 0 | 0 | 113.7 | G1154 S1257 | G1154-S1156 VanDerWaalsContact C-N 3.27Å; G1154-S1156 PolarHBondContact O-N 3.48Å; G1154-S1156 VanDerWaalsContact O-N 3.13Å; S1156-S1257 PolarHBondContact O-OG 3.32Å |
| 1157 | S | 66.3 | Low | 75.6 | Confident | 29 Ų | 29 | 70.6 Ų | 70.6 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | trans | -78.4 | 133.9 | -175.2 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | R1151 N1152 G1154 H1159 | R1151-S1157 WeakPolarHBondContact O-CB 3.48Å; N1152-S1157 WeakPolarHBondContact O-CB 3.48Å; G1154-S1157 VanDerWaalsContact O-CB 3.27Å; G1154-S1157 WeakPolarHBondContact O-CB 3.32Å; G1154-S1157 PolarHBondContact O-N 2.91Å; G1154-S1157 VanDerWaalsContact O-N 3.1Å; G1154-S1157 PolarHBondContact O-OG 3.19Å; S1157-H1159 PolarHBondContact O-N 3.13Å; S1157-H1159 VanDerWaalsContact O-N 3.09Å | ||
| 1158 | Q | 74.3 | Confident | 76 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -75.7 | 12.5 | 175.1 | -61 | 179.8 | 27.1 | 0 | 0 | 113.1 | F1160 L1161 R1177 V1260 | Q1158-F1160 PolarHBondContact O-N 3.39Å; Q1158-F1160 VanDerWaalsContact O-N 3.16Å; Q1158-L1161 HydrophobicContact CB-CD1 4.45Å; Q1158-L1161 WeakPolarHBondContact O-CB 3.49Å; Q1158-L1161 PolarHBondContact O-N 3.38Å; Q1158-R1177 PolarHBondContact NE2-O 3.49Å; Q1158-V1260 HydrophobicContact CG-CG2 4.46Å |
| 1159 | H | 76.5 | Confident | 76.9 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -59.5 | -32.1 | -170.9 | -168.8 | -35.2 | 0 | 0 | 0 | 112.6 | N1152 Y1153 S1157 L1161 Q1162 | N1152-H1159 PolarHBondContact O-CD2 2.89Å; Y1153-H1159 AromaticContact CD1-CD2 3.73Å; Y1153-H1159 AromaticContact CE1-CD2 3.58Å; Y1153-H1159 AromaticContact CE1-NE2 3.56Å; S1157-H1159 PolarHBondContact O-N 3.13Å; S1157-H1159 VanDerWaalsContact O-N 3.09Å; H1159-L1161 PolarHBondContact O-N 2.99Å; H1159-Q1162 PolarHBondContact CE1-OE1 2.95Å; H1159-Q1162 VanDerWaalsContact CE1-OE1 3.31Å; H1159-Q1162 WeakPolarHBondContact O-CB 3.47Å; H1159-Q1162 PolarHBondContact O-N 2.7Å; H1159-Q1162 VanDerWaalsContact O-N 3.1Å |
| 1160 | F | 84.4 | Confident | 77.6 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -65 | -21 | 176.8 | 79.9 | -86 | 0 | 0 | 0 | 113.5 | Q1158 Q1162 V1260 L1264 P1282 I1285 | Q1158-F1160 PolarHBondContact O-N 3.39Å; Q1158-F1160 VanDerWaalsContact O-N 3.16Å; F1160-Q1162 VanDerWaalsContact C-N 3.32Å; F1160-V1260 HydrophobicContact CE1-CG1 3.97Å; F1160-V1260 HydrophobicContact CZ-CG1 3.85Å; F1160-L1264 HydrophobicContact CE2-CD1 3.99Å; F1160-L1264 HydrophobicContact CZ-CD1 4.2Å; F1160-L1264 HydrophobicContact CZ-CD2 4.21Å; F1160-P1282 HydrophobicContact CD2-CG 4.5Å; F1160-I1285 HydrophobicContact CE2-CD1 3.96Å; F1160-I1285 HydrophobicContact CZ-CD1 4.34Å |
| 1161 | L | 86.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -79.7 | -8.8 | 175.3 | -61.6 | 179.6 | 0 | 0 | 0 | 113.4 | Q1158 H1159 G1163 S1164 R1171 V1260 P1282 I1285 | Q1158-L1161 HydrophobicContact CB-CD1 4.45Å; Q1158-L1161 WeakPolarHBondContact O-CB 3.49Å; Q1158-L1161 PolarHBondContact O-N 3.38Å; H1159-L1161 PolarHBondContact O-N 2.99Å; L1161-G1163 PolarHBondContact O-N 2.95Å; L1161-G1163 VanDerWaalsContact O-N 3.12Å; L1161-S1164 VanDerWaalsContact O-CB 3.3Å; L1161-S1164 WeakPolarHBondContact O-CB 3.34Å; L1161-S1164 PolarHBondContact O-N 3.46Å; L1161-S1164 PolarHBondContact O-OG 2.85Å; L1161-R1171 VanDerWaalsContact O-CD 3.27Å; L1161-R1171 WeakPolarHBondContact O-CD 3.46Å; L1161-V1260 HydrophobicContact CD1-CG1 3.88Å; L1161-V1260 HydrophobicContact CD1-CG2 3.82Å; L1161-P1282 HydrophobicContact CD2-CB 4.12Å; L1161-I1285 HydrophobicContact CD1-CG2 4.13Å; L1161-I1285 HydrophobicContact CD2-CB 3.99Å; L1161-I1285 HydrophobicContact CD2-CD1 4.21Å; L1161-I1285 HydrophobicContact CD2-CG2 3.89Å |
| 1162 | Q | 84.5 | Confident | 79.4 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -61.8 | -23.2 | 179 | -159.6 | 176.5 | 13.3 | 0 | 0 | 112.5 | H1159 F1160 S1164 E1170 | H1159-Q1162 PolarHBondContact CE1-OE1 2.95Å; H1159-Q1162 VanDerWaalsContact CE1-OE1 3.31Å; H1159-Q1162 WeakPolarHBondContact O-CB 3.47Å; H1159-Q1162 PolarHBondContact O-N 2.7Å; H1159-Q1162 VanDerWaalsContact O-N 3.1Å; F1160-Q1162 VanDerWaalsContact C-N 3.32Å; Q1162-S1164 VanDerWaalsContact C-N 3.3Å; Q1162-S1164 PolarHBondContact O-N 3.13Å; Q1162-E1170 PolarHBondContact NE2-OE1 2.89Å |
| 1163 | G | 83.1 | Confident | 80.3 | Confident | 55 Ų | 55 | 59 Ų | 59 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -82.7 | 13.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1161 | L1161-G1163 PolarHBondContact O-N 2.95Å; L1161-G1163 VanDerWaalsContact O-N 3.12Å |
| 1164 | S | 89.2 | Confident | 80.9 | Confident | 11 Ų | 11 | 54 Ų | 54 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -69.2 | -38.8 | 168.3 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | L1161 Q1162 D1286 | L1161-S1164 VanDerWaalsContact O-CB 3.3Å; L1161-S1164 WeakPolarHBondContact O-CB 3.34Å; L1161-S1164 PolarHBondContact O-N 3.46Å; L1161-S1164 PolarHBondContact O-OG 2.85Å; Q1162-S1164 VanDerWaalsContact C-N 3.3Å; Q1162-S1164 PolarHBondContact O-N 3.13Å; S1164-D1286 WeakPolarHBondContact CB-OD2 3.17Å; S1164-D1286 PolarHBondContact OG-OD2 3.11Å |
| 1165 | V | 89.9 | Confident | 81.4 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -97.8 | 162.6 | 178.8 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | W1169 R1171 Y1181 H1193 P1194 | V1165-W1169 HydrophobicContact CB-CB 4Å; V1165-W1169 HydrophobicContact CG1-CB 4.27Å; V1165-W1169 WeakPolarHBondContact CG2-O 3.32Å; V1165-R1171 HydrophobicContact CG2-CB 3.99Å; V1165-Y1181 HydrophobicContact CG1-CD1 3.83Å; V1165-Y1181 HydrophobicContact CG1-CE1 4.2Å; V1165-H1193 WeakPolarHBondContact CG1-NE2 3.22Å; V1165-P1194 HydrophobicContact CG1-CG 3.98Å |
| 1166 | S | 86.7 | Confident | 82.1 | Confident | 92 Ų | 92 | 56 Ų | 56 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | trans | -125.3 | 150.8 | 170.6 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | W1169 | S1166-W1169 CarbonylContact C-O 3.59Å; S1166-W1169 WeakPolarHBondContact O-CB 3.02Å; S1166-W1169 PolarHBondContact O-N 2.72Å | ||
| 1167 | L | 83.9 | Confident | 83.1 | Confident | 152 Ų | 152 | 57.7 Ų | 57.7 | 80% | 0.796 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | 136.1 | 172.3 | -65.1 | 176 | 0 | 0 | 0 | 111.1 | W1169 | L1167-W1169 VanDerWaalsContact C-N 3.34Š|
| 1168 | P | 88.7 | Confident | 84 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -82 | 6.4 | 12.1 | 36.9 | -41.6 | 0 | 0 | 0 | 115.6 | H1184 E1185 | P1168-H1184 PolarHBondContact O-N 3.44Å; P1168-E1185 HydrophobicContact CB-CB 3.63Å; P1168-E1185 HydrophobicContact CG-CB 4Å; P1168-E1185 WeakPolarHBondContact CG-OE2 3.41Å |
| 1169 | W | 91.2 | Very high | 84.8 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 141.6 | -177 | -65.5 | 91.1 | 0 | 0 | 0 | 113.3 | V1165 S1166 L1167 I1182 Q1190 P1194 | V1165-W1169 HydrophobicContact CB-CB 4Å; V1165-W1169 HydrophobicContact CG1-CB 4.27Å; V1165-W1169 WeakPolarHBondContact CG2-O 3.32Å; S1166-W1169 CarbonylContact C-O 3.59Å; S1166-W1169 WeakPolarHBondContact O-CB 3.02Å; S1166-W1169 PolarHBondContact O-N 2.72Å; L1167-W1169 VanDerWaalsContact C-N 3.34Å; W1169-I1182 CarbonylContact C-O 3.53Å; W1169-I1182 VanDerWaalsContact CA-O 3.31Å; W1169-I1182 WeakPolarHBondContact CA-O 3.35Å; W1169-Q1190 VanDerWaalsContact CH2-CD 3.49Å; W1169-Q1190 HydrophobicContact CH2-CG 4.09Å; W1169-Q1190 HydrophobicContact CZ3-CG 3.8Å; W1169-P1194 HydrophobicContact CB-CG 4.22Å; W1169-P1194 HydrophobicContact CD2-CB 3.88Å; W1169-P1194 HydrophobicContact CD2-CG 3.84Å; W1169-P1194 HydrophobicContact CE3-CB 4.42Å; W1169-P1194 HydrophobicContact CE3-CG 4.28Å; W1169-P1194 HydrophobicContact CG-CB 4.16Å; W1169-P1194 HydrophobicContact CG-CG 3.8Å; W1169-P1194 HydrophobicContact CZ2-CB 4.11Å |
| 1170 | E | 89.9 | Confident | 85.5 | Confident | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.4 | 170.2 | 177.6 | 167.7 | -156.9 | 0 | 0 | 110.9 | Q1162 Y1181 I1182 H1184 | Q1162-E1170 PolarHBondContact NE2-OE1 2.89Å; E1170-Y1181 CarbonylContact O-C 3.54Å; E1170-Y1181 VanDerWaalsContact O-CA 3.32Å; E1170-Y1181 WeakPolarHBondContact O-CA 3.49Å; E1170-I1182 PolarHBondContact N-O 3.48Å; E1170-I1182 PolarHBondContact O-N 3.39Å; E1170-H1184 IonicContact OE2-CD2 3.78Å; E1170-H1184 IonicContact OE2-CE1 3.7Å; E1170-H1184 IonicContact OE2-NE2 3.54Å; E1170-H1184 PolarHBondContact OE2-NE2 3.04Å |
| 1171 | R | 91.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.1 | 173.1 | -179.5 | -167.1 | -164.9 | -88.2 | 6.8 | 109.5 | L1161 V1165 V1173 Y1181 D1286 | L1161-R1171 VanDerWaalsContact O-CD 3.27Å; L1161-R1171 WeakPolarHBondContact O-CD 3.46Å; V1165-R1171 HydrophobicContact CG2-CB 3.99Å; R1171-V1173 VanDerWaalsContact NH1-CG2 3.32Å; R1171-Y1181 HydrophobicContact CB-CD1 4.11Å; R1171-Y1181 HydrophobicContact CB-CE1 4.09Å; R1171-Y1181 HydrophobicContact CG-CD1 4.21Å; R1171-Y1181 HydrophobicContact CG-CE1 3.79Å; R1171-D1286 VanDerWaalsContact CD-OD2 3.27Å; R1171-D1286 WeakPolarHBondContact CD-OD2 3.2Å; R1171-D1286 IonicContact CZ-OD1 3.91Å; R1171-D1286 IonicContact CZ-OD2 3.42Å; R1171-D1286 IonicContact NE-OD1 3.45Å; R1171-D1286 PolarHBondContact NE-OD1 2.88Å; R1171-D1286 IonicContact NE-OD2 2.8Å; R1171-D1286 PolarHBondContact NE-OD2 3.03Å; R1171-D1286 IonicContact NH2-OD1 3.51Å; R1171-D1286 PolarHBondContact NH2-OD1 3.17Å |
| 1172 | A | 85.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 173 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1179 Y1180 I1182 | A1172-P1179 WeakPolarHBondContact O-CA 3.18Å; A1172-Y1180 HydrophobicContact CB-CD1 4.18Å; A1172-Y1180 HydrophobicContact CB-CD2 4.17Å; A1172-Y1180 HydrophobicContact CB-CE1 3.66Å; A1172-Y1180 HydrophobicContact CB-CE2 3.65Å; A1172-Y1180 HydrophobicContact CB-CG 4.42Å; A1172-Y1180 PolarHBondContact N-O 2.73Å; A1172-Y1180 PolarHBondContact O-N 3.44Å; A1172-I1182 HydrophobicContact CB-CD1 4.05Å; A1172-I1182 HydrophobicContact CB-CG1 4.43Å |
| 1173 | V | 83.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 135.2 | -175.7 | -176.7 | 0 | 0 | 0 | 0 | 110 | R1171 R1177 V1178 | R1171-V1173 VanDerWaalsContact NH1-CG2 3.32Å; V1173-R1177 VanDerWaalsContact CG1-C 3.46Å; V1173-R1177 WeakPolarHBondContact CG1-O 3.28Å; V1173-V1178 WeakPolarHBondContact CA-O 3.25Å |
| 1174 | S | 82 | Confident | 86.5 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | trans | -76.1 | 174.9 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | N1176 R1177 V1178 | S1174-N1176 VanDerWaalsContact C-N 3.32Å; S1174-N1176 WeakPolarHBondContact CB-OD1 3.36Å; S1174-N1176 PolarHBondContact O-N 2.78Å; S1174-N1176 PolarHBondContact OG-OD1 2.96Å; S1174-R1177 PolarHBondContact O-N 2.99Å; S1174-R1177 VanDerWaalsContact O-N 3.09Å; S1174-V1178 PolarHBondContact N-O 2.77Å; S1174-V1178 WeakPolarHBondContact OG-CB 3.27Å; S1174-V1178 PolarHBondContact OG-N 3.15Å; S1174-V1178 PolarHBondContact OG-O 2.75Å | ||
| 1175 | S | 72.9 | Confident | 86.3 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 85% | 0.853 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -43.2 | 172.6 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | R1177 | S1175-R1177 PolarHBondContact O-N 3.09Š|
| 1176 | N | 74.8 | Confident | 86.2 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 27.7 | 174.6 | 66.1 | -23 | 0 | 0 | 0 | 113.8 | S1174 V1178 R1300 C1301 | S1174-N1176 VanDerWaalsContact C-N 3.32Å; S1174-N1176 WeakPolarHBondContact CB-OD1 3.36Å; S1174-N1176 PolarHBondContact O-N 2.78Å; S1174-N1176 PolarHBondContact OG-OD1 2.96Å; N1176-V1178 PolarHBondContact O-N 3.34Å; N1176-V1178 VanDerWaalsContact O-N 3.08Å; N1176-R1300 PolarHBondContact ND2-O 3.26Å; N1176-C1301 PolarHBondContact ND2-O 2.92Å |
| 1177 | R | 79.7 | Confident | 86.1 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 64.6 | 8.6 | 170.9 | -57.2 | 173.5 | 178 | -169 | -0.8 | 116.2 | Q1158 V1173 S1174 S1175 D1255 V1256 | Q1158-R1177 PolarHBondContact NE2-O 3.49Å; V1173-R1177 VanDerWaalsContact CG1-C 3.46Å; V1173-R1177 WeakPolarHBondContact CG1-O 3.28Å; S1174-R1177 PolarHBondContact O-N 2.99Å; S1174-R1177 VanDerWaalsContact O-N 3.09Å; S1175-R1177 PolarHBondContact O-N 3.09Å; R1177-D1255 WeakPolarHBondContact CD-OD2 3.46Å; R1177-D1255 IonicContact CZ-OD2 2.86Å; R1177-D1255 IonicContact NE-OD2 3.2Å; R1177-D1255 IonicContact NH1-OD1 3.95Å; R1177-D1255 IonicContact NH1-OD2 2.72Å; R1177-D1255 PolarHBondContact NH1-OD2 3.46Å; R1177-V1256 HydrophobicContact CB-CB 4.05Å; R1177-V1256 HydrophobicContact CB-CG2 4.48Å; R1177-V1256 WeakPolarHBondContact O-CB 3.43Å; R1177-V1256 VanDerWaalsContact O-CG1 3.23Å; R1177-V1256 WeakPolarHBondContact O-CG1 3.46Å |
| 1178 | V | 86.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | trans | -76 | 132 | 177 | 178.8 | 0 | 0 | 0 | 0 | 111 | V1173 S1174 N1176 W1191 V1256 L1293 R1300 | V1173-V1178 WeakPolarHBondContact CA-O 3.25Å; S1174-V1178 PolarHBondContact N-O 2.77Å; S1174-V1178 WeakPolarHBondContact OG-CB 3.27Å; S1174-V1178 PolarHBondContact OG-N 3.15Å; S1174-V1178 PolarHBondContact OG-O 2.75Å; N1176-V1178 PolarHBondContact O-N 3.34Å; N1176-V1178 VanDerWaalsContact O-N 3.08Å; V1178-W1191 HydrophobicContact CB-CZ3 4.48Å; V1178-W1191 HydrophobicContact CG1-CE3 4.05Å; V1178-W1191 HydrophobicContact CG1-CZ3 3.87Å; V1178-V1256 HydrophobicContact CG2-CG2 4.11Å; V1178-L1293 HydrophobicContact CG1-CD1 4.34Å; V1178-R1300 HydrophobicContact CG1-CB 4.29Å | ||
| 1179 | P | 90.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 145 | 173.5 | 30.4 | -35.6 | 0 | 0 | 0 | 112.8 | A1172 L1289 L1293 | A1172-P1179 WeakPolarHBondContact O-CA 3.18Å; P1179-L1289 HydrophobicContact CG-CD2 3.95Å; P1179-L1293 HydrophobicContact CG-CD1 4.37Å |
| 1180 | Y | 91.1 | Very high | 86.1 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 28% | 0.275 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.5 | 167.5 | 67.9 | -84.5 | 0 | 0 | 0 | 110.3 | A1172 I1182 T1189 | A1172-Y1180 HydrophobicContact CB-CD1 4.18Å; A1172-Y1180 HydrophobicContact CB-CD2 4.17Å; A1172-Y1180 HydrophobicContact CB-CE1 3.66Å; A1172-Y1180 HydrophobicContact CB-CE2 3.65Å; A1172-Y1180 HydrophobicContact CB-CG 4.42Å; A1172-Y1180 PolarHBondContact N-O 2.73Å; A1172-Y1180 PolarHBondContact O-N 3.44Å; Y1180-I1182 HydrophobicContact CD2-CG1 4.16Å; Y1180-I1182 HydrophobicContact CE2-CD1 3.92Å; Y1180-I1182 HydrophobicContact CE2-CG1 3.91Å; Y1180-T1189 HydrophobicContact CE2-CG2 4.48Å |
| 1181 | Y | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134 | -169.6 | -51.1 | -82.9 | 0 | 0 | 0 | 110.7 | V1165 E1170 R1171 T1189 Q1190 W1191 D1192 H1193 D1286 | V1165-Y1181 HydrophobicContact CG1-CD1 3.83Å; V1165-Y1181 HydrophobicContact CG1-CE1 4.2Å; E1170-Y1181 CarbonylContact O-C 3.54Å; E1170-Y1181 VanDerWaalsContact O-CA 3.32Å; E1170-Y1181 WeakPolarHBondContact O-CA 3.49Å; R1171-Y1181 HydrophobicContact CB-CD1 4.11Å; R1171-Y1181 HydrophobicContact CB-CE1 4.09Å; R1171-Y1181 HydrophobicContact CG-CD1 4.21Å; R1171-Y1181 HydrophobicContact CG-CE1 3.79Å; Y1181-T1189 CarbonylContact O-C 3.6Å; Y1181-T1189 VanDerWaalsContact O-CA 3.3Å; Y1181-T1189 WeakPolarHBondContact O-CA 3.45Å; Y1181-Q1190 PolarHBondContact N-O 3.22Å; Y1181-Q1190 PolarHBondContact O-N 2.89Å; Y1181-W1191 WeakPolarHBondContact CE2-O 3.34Å; Y1181-D1192 VanDerWaalsContact CD2-C 3.42Å; Y1181-D1192 WeakPolarHBondContact CD2-O 3.3Å; Y1181-H1193 HydrophobicContact CD2-CB 4.38Å; Y1181-H1193 HydrophobicContact CE1-CB 4.17Å; Y1181-H1193 AromaticContact CE1-CD2 3.42Å; Y1181-H1193 VanDerWaalsContact CE1-CD2 3.42Å; Y1181-H1193 WeakPolarHBondContact CE1-CD2 3.16Å; Y1181-H1193 VanDerWaalsContact CE2-CA 3.44Å; Y1181-H1193 HydrophobicContact CE2-CB 3.81Å; Y1181-H1193 VanDerWaalsContact CE2-N 3.31Å; Y1181-H1193 AromaticContact CZ-CD2 3.73Å; Y1181-D1286 WeakPolarHBondContact CE1-OD2 3.41Å; Y1181-D1286 VanDerWaalsContact OH-CG 3.29Å; Y1181-D1286 PolarHBondContact OH-OD1 3.06Å; Y1181-D1286 PolarHBondContact OH-OD2 2.77Å; Y1181-D1286 VanDerWaalsContact OH-OD2 3.06Å |
| 1182 | I | 90.7 | Very high | 86.2 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 20% | 0.195 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.7 | -176.3 | -45.6 | -176.5 | 0 | 0 | 0 | 108.2 | W1169 E1170 A1172 Y1180 T1189 | W1169-I1182 CarbonylContact C-O 3.53Å; W1169-I1182 VanDerWaalsContact CA-O 3.31Å; W1169-I1182 WeakPolarHBondContact CA-O 3.35Å; E1170-I1182 PolarHBondContact N-O 3.48Å; E1170-I1182 PolarHBondContact O-N 3.39Å; A1172-I1182 HydrophobicContact CB-CD1 4.05Å; A1172-I1182 HydrophobicContact CB-CG1 4.43Å; Y1180-I1182 HydrophobicContact CD2-CG1 4.16Å; Y1180-I1182 HydrophobicContact CE2-CD1 3.92Å; Y1180-I1182 HydrophobicContact CE2-CG1 3.91Å; I1182-T1189 HydrophobicContact CG1-CG2 4.14Å; I1182-T1189 HydrophobicContact CG2-CG2 4.28Å |
| 1183 | S | 89.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 105.6 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | E1185 T1186 E1187 K1188 | S1183-E1185 PolarHBondContact O-N 2.72Å; S1183-T1186 WeakPolarHBondContact CB-OG1 3.26Å; S1183-T1186 PolarHBondContact O-N 3.2Å; S1183-T1186 PolarHBondContact OG-N 3.36Å; S1183-T1186 PolarHBondContact OG-OG1 2.82Å; S1183-E1187 WeakPolarHBondContact O-CA 3.46Å; S1183-E1187 PolarHBondContact O-N 3.07Å; S1183-K1188 PolarHBondContact N-O 2.99Å |
| 1184 | H | 86.5 | Confident | 87 | Confident | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.2 | 177.6 | -69.3 | -71.4 | 0 | 0 | 0 | 113.5 | P1168 E1170 | P1168-H1184 PolarHBondContact O-N 3.44Å; E1170-H1184 IonicContact OE2-CD2 3.78Å; E1170-H1184 IonicContact OE2-CE1 3.7Å; E1170-H1184 IonicContact OE2-NE2 3.54Å; E1170-H1184 PolarHBondContact OE2-NE2 3.04Å |
| 1185 | E | 84.3 | Confident | 87.5 | Confident | 151 Ų | 151 | 72.2 Ų | 72.2 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -24 | 174.2 | -178.5 | 175.4 | -164.5 | 0 | 0 | 113 | P1168 S1183 | P1168-E1185 HydrophobicContact CB-CB 3.63Å; P1168-E1185 HydrophobicContact CG-CB 4Å; P1168-E1185 WeakPolarHBondContact CG-OE2 3.41Å; S1183-E1185 PolarHBondContact O-N 2.72Å |
| 1186 | T | 86.6 | Confident | 88.4 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 4.3 | -175.2 | 67 | 0 | 0 | 0 | 0 | 114.5 | S1183 K1188 | S1183-T1186 WeakPolarHBondContact CB-OG1 3.26Å; S1183-T1186 PolarHBondContact O-N 3.2Å; S1183-T1186 PolarHBondContact OG-N 3.36Å; S1183-T1186 PolarHBondContact OG-OG1 2.82Å; T1186-K1188 WeakPolarHBondContact O-CG 3.29Å; T1186-K1188 PolarHBondContact O-N 3.18Å; T1186-K1188 VanDerWaalsContact O-N 3.09Å |
| 1187 | E | 85.3 | Confident | 89.2 | Confident | 188 Ų | 188 | 66.6 Ų | 66.6 | 88% | 0.879 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 23.2 | -178.2 | -59.8 | -176.9 | 170.5 | 0 | 0 | 114.3 | S1183 | S1183-E1187 WeakPolarHBondContact O-CA 3.46Å; S1183-E1187 PolarHBondContact O-N 3.07Å |
| 1188 | K | 83.9 | Confident | 89.8 | Confident | 140 Ų | 140 | 65.3 Ų | 65.3 | 61% | 0.609 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.1 | -176.3 | -77.1 | 168 | -174.9 | 178.7 | 0 | 112.1 | S1183 T1186 | S1183-K1188 PolarHBondContact N-O 2.99Å; T1186-K1188 WeakPolarHBondContact O-CG 3.29Å; T1186-K1188 PolarHBondContact O-N 3.18Å; T1186-K1188 VanDerWaalsContact O-N 3.09Å |
| 1189 | T | 88.7 | Confident | 90.1 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 144.8 | 164.1 | 58 | 0 | 0 | 0 | 0 | 110.2 | Y1180 Y1181 I1182 | Y1180-T1189 HydrophobicContact CE2-CG2 4.48Å; Y1181-T1189 CarbonylContact O-C 3.6Å; Y1181-T1189 VanDerWaalsContact O-CA 3.3Å; Y1181-T1189 WeakPolarHBondContact O-CA 3.45Å; I1182-T1189 HydrophobicContact CG1-CG2 4.14Å; I1182-T1189 HydrophobicContact CG2-CG2 4.28Å |
| 1190 | Q | 91 | Very high | 90.1 | Very high | 62 Ų | 62 | 68.2 Ų | 68.2 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.4 | 173.7 | 60.4 | 179.8 | 52.6 | 0 | 0 | 110.9 | W1169 Y1181 D1192 | W1169-Q1190 VanDerWaalsContact CH2-CD 3.49Å; W1169-Q1190 HydrophobicContact CH2-CG 4.09Å; W1169-Q1190 HydrophobicContact CZ3-CG 3.8Å; Y1181-Q1190 PolarHBondContact N-O 3.22Å; Y1181-Q1190 PolarHBondContact O-N 2.89Å; Q1190-D1192 PolarHBondContact NE2-O 2.94Å |
| 1191 | W | 91.7 | Very high | 90.1 | Very high | 117 Ų | 117 | 68.2 Ų | 68.2 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -80.3 | -19.7 | 178.8 | -60.8 | 108.3 | 0 | 0 | 0 | 113.7 | V1178 Y1181 N1290 R1300 | V1178-W1191 HydrophobicContact CB-CZ3 4.48Å; V1178-W1191 HydrophobicContact CG1-CE3 4.05Å; V1178-W1191 HydrophobicContact CG1-CZ3 3.87Å; Y1181-W1191 WeakPolarHBondContact CE2-O 3.34Å; W1191-N1290 PolarHBondContact O-ND2 3.12Å; W1191-R1300 HydrophobicContact CD2-CG 3.86Å; W1191-R1300 HydrophobicContact CE3-CG 4Å; W1191-R1300 HydrophobicContact CG-CG 4.25Å; W1191-R1300 HydrophobicContact CH2-CB 4.42Å; W1191-R1300 HydrophobicContact CZ2-CG 4.41Å; W1191-R1300 HydrophobicContact CZ3-CB 4.37Å; W1191-R1300 HydrophobicContact CZ3-CG 4.34Å |
| 1192 | D | 90.9 | Very high | 90 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -92.7 | 134.8 | -177.2 | -62.1 | -30.4 | 0 | 0 | 0 | 110.8 | Y1181 Q1190 V1197 N1290 N1294 R1300 | Y1181-D1192 VanDerWaalsContact CD2-C 3.42Å; Y1181-D1192 WeakPolarHBondContact CD2-O 3.3Å; Q1190-D1192 PolarHBondContact NE2-O 2.94Å; D1192-V1197 HydrophobicContact CB-CG2 3.64Å; D1192-N1290 WeakPolarHBondContact CA-OD1 3.33Å; D1192-N1294 PolarHBondContact OD1-ND2 3.44Å; D1192-N1294 PolarHBondContact OD1-OD1 3.03Å; D1192-R1300 IonicContact OD1-NH2 3.38Å; D1192-R1300 PolarHBondContact OD1-NH2 3.19Å |
| 1193 | H | 93.6 | Very high | 90 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.019 | 35% | 0.353 | C | S | . | . | trans | -61.4 | 136.9 | 177.6 | -176.8 | -81.4 | 0 | 0 | 0 | 109 | V1165 Y1181 K1195 M1196 V1197 L1283 D1286 L1287 N1290 | V1165-H1193 WeakPolarHBondContact CG1-NE2 3.22Å; Y1181-H1193 HydrophobicContact CD2-CB 4.38Å; Y1181-H1193 HydrophobicContact CE1-CB 4.17Å; Y1181-H1193 AromaticContact CE1-CD2 3.42Å; Y1181-H1193 VanDerWaalsContact CE1-CD2 3.42Å; Y1181-H1193 WeakPolarHBondContact CE1-CD2 3.16Å; Y1181-H1193 VanDerWaalsContact CE2-CA 3.44Å; Y1181-H1193 HydrophobicContact CE2-CB 3.81Å; Y1181-H1193 VanDerWaalsContact CE2-N 3.31Å; Y1181-H1193 AromaticContact CZ-CD2 3.73Å; H1193-K1195 WeakPolarHBondContact ND1-CB 3.15Å; H1193-K1195 PolarHBondContact ND1-N 3.42Å; H1193-K1195 VanDerWaalsContact ND1-N 3.13Å; H1193-K1195 PolarHBondContact O-N 2.96Å; H1193-K1195 VanDerWaalsContact O-N 3.13Å; H1193-M1196 HydrophobicContact CB-CB 4.02Å; H1193-M1196 WeakPolarHBondContact O-CA 3.35Å; H1193-M1196 VanDerWaalsContact O-CB 3.27Å; H1193-M1196 WeakPolarHBondContact O-CB 3.4Å; H1193-M1196 PolarHBondContact O-N 3.02Å; H1193-V1197 PolarHBondContact O-N 3.04Å; H1193-L1283 WeakPolarHBondContact CE1-CD1 3.49Å; H1193-D1286 IonicContact CD2-OD2 3.43Å; H1193-L1287 HydrophobicContact CB-CD2 4.16Å; H1193-N1290 HydrophobicContact CB-CB 4.42Å; H1193-N1290 PolarHBondContact N-OD1 2.88Å | ||
| 1194 | P | 92.7 | Very high | 89.8 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.4 | -37.2 | -174.6 | 19.6 | -32.9 | 0 | 0 | 0 | 113 | V1165 W1169 V1197 E1198 | V1165-P1194 HydrophobicContact CG1-CG 3.98Å; W1169-P1194 HydrophobicContact CB-CG 4.22Å; W1169-P1194 HydrophobicContact CD2-CB 3.88Å; W1169-P1194 HydrophobicContact CD2-CG 3.84Å; W1169-P1194 HydrophobicContact CE3-CB 4.42Å; W1169-P1194 HydrophobicContact CE3-CG 4.28Å; W1169-P1194 HydrophobicContact CG-CB 4.16Å; W1169-P1194 HydrophobicContact CG-CG 3.8Å; W1169-P1194 HydrophobicContact CZ2-CB 4.11Å; P1194-V1197 PolarHBondContact O-N 3.37Å; P1194-E1198 PolarHBondContact O-N 2.89Å |
| 1195 | K | 92.2 | Very high | 89.8 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.9 | -28.8 | 172.3 | -168.2 | 72 | -165.3 | 176.1 | 0 | 113.6 | H1193 E1198 I1199 L1283 L1287 | H1193-K1195 WeakPolarHBondContact ND1-CB 3.15Å; H1193-K1195 PolarHBondContact ND1-N 3.42Å; H1193-K1195 VanDerWaalsContact ND1-N 3.13Å; H1193-K1195 PolarHBondContact O-N 2.96Å; H1193-K1195 VanDerWaalsContact O-N 3.13Å; K1195-E1198 WeakPolarHBondContact CD-OE2 3.46Å; K1195-E1198 WeakPolarHBondContact CE-OE2 3.4Å; K1195-E1198 IonicContact NZ-OE1 3.68Å; K1195-E1198 PolarHBondContact NZ-OE1 3.01Å; K1195-E1198 IonicContact NZ-OE2 2.66Å; K1195-E1198 PolarHBondContact NZ-OE2 3.1Å; K1195-E1198 WeakPolarHBondContact O-CB 3.35Å; K1195-E1198 PolarHBondContact O-N 3.46Å; K1195-I1199 HydrophobicContact CG-CD1 4.32Å; K1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; K1195-I1199 VanDerWaalsContact O-CG1 3.22Å; K1195-I1199 WeakPolarHBondContact O-CG1 3.09Å; K1195-I1199 PolarHBondContact O-N 3.11Å; K1195-L1283 HydrophobicContact CB-CD1 4.48Å; K1195-L1287 HydrophobicContact CB-CD2 4.16Å; K1195-L1287 HydrophobicContact CG-CD1 4.29Å |
| 1196 | M | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 173.9 | -171.5 | 61 | 178.8 | 0 | 0 | 111.1 | H1193 E1198 I1199 V1200 L1223 L1287 W1291 F1357 | H1193-M1196 HydrophobicContact CB-CB 4.02Å; H1193-M1196 WeakPolarHBondContact O-CA 3.35Å; H1193-M1196 VanDerWaalsContact O-CB 3.27Å; H1193-M1196 WeakPolarHBondContact O-CB 3.4Å; H1193-M1196 PolarHBondContact O-N 3.02Å; M1196-E1198 VanDerWaalsContact C-N 3.31Å; M1196-E1198 PolarHBondContact O-N 3.25Å; M1196-I1199 PolarHBondContact O-N 2.91Å; M1196-I1199 HydrophobicContact SD-CD1 4.49Å; M1196-V1200 HydrophobicContact CE-CG2 4Å; M1196-V1200 HydrophobicContact CG-CG2 4.43Å; M1196-V1200 WeakPolarHBondContact O-CG2 3.44Å; M1196-V1200 PolarHBondContact O-N 3.15Å; M1196-V1200 HydrophobicContact SD-CG2 4.48Å; M1196-L1223 HydrophobicContact CE-CD1 4Å; M1196-L1223 HydrophobicContact SD-CD1 4.43Å; M1196-L1287 HydrophobicContact CB-CD2 3.74Å; M1196-L1287 HydrophobicContact SD-CD2 4.48Å; M1196-W1291 HydrophobicContact CE-CB 3.8Å; M1196-W1291 HydrophobicContact CE-CG 4.16Å; M1196-F1357 HydrophobicContact CE-CE1 4.13Å; M1196-F1357 HydrophobicContact CE-CZ 3.74Å |
| 1197 | V | 91.7 | Very high | 90 | Very high | 63 Ų | 63 | 70 Ų | 70 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 172.5 | -179.6 | 0 | 0 | 0 | 0 | 111 | D1192 H1193 P1194 S1201 | D1192-V1197 HydrophobicContact CB-CG2 3.64Å; H1193-V1197 PolarHBondContact O-N 3.04Å; P1194-V1197 PolarHBondContact O-N 3.37Å; V1197-S1201 VanDerWaalsContact O-CB 3.27Å; V1197-S1201 WeakPolarHBondContact O-CB 3.37Å; V1197-S1201 PolarHBondContact O-N 3.5Å |
| 1198 | E | 92.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 172.6 | -166.6 | -157.7 | 122 | 0 | 0 | 112 | P1194 K1195 M1196 V1200 S1201 N1202 | P1194-E1198 PolarHBondContact O-N 2.89Å; K1195-E1198 WeakPolarHBondContact CD-OE2 3.46Å; K1195-E1198 WeakPolarHBondContact CE-OE2 3.4Å; K1195-E1198 IonicContact NZ-OE1 3.68Å; K1195-E1198 PolarHBondContact NZ-OE1 3.01Å; K1195-E1198 IonicContact NZ-OE2 2.66Å; K1195-E1198 PolarHBondContact NZ-OE2 3.1Å; K1195-E1198 WeakPolarHBondContact O-CB 3.35Å; K1195-E1198 PolarHBondContact O-N 3.46Å; M1196-E1198 VanDerWaalsContact C-N 3.31Å; M1196-E1198 PolarHBondContact O-N 3.25Å; E1198-V1200 PolarHBondContact O-N 2.85Å; E1198-S1201 WeakPolarHBondContact O-CB 3.37Å; E1198-S1201 PolarHBondContact O-N 2.87Å; E1198-N1202 PolarHBondContact O-N 3.02Å; E1198-N1202 PolarHBondContact O-ND2 2.88Å |
| 1199 | I | 92.6 | Very high | 90 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58 | -50.8 | 177.9 | -69.2 | 158 | 0 | 0 | 0 | 110.6 | K1195 M1196 S1201 N1202 L1203 L1223 N1226 L1287 | K1195-I1199 HydrophobicContact CG-CD1 4.32Å; K1195-I1199 WeakPolarHBondContact O-CD1 3.49Å; K1195-I1199 VanDerWaalsContact O-CG1 3.22Å; K1195-I1199 WeakPolarHBondContact O-CG1 3.09Å; K1195-I1199 PolarHBondContact O-N 3.11Å; M1196-I1199 PolarHBondContact O-N 2.91Å; M1196-I1199 HydrophobicContact SD-CD1 4.49Å; I1199-S1201 VanDerWaalsContact C-N 3.34Å; I1199-S1201 PolarHBondContact O-N 3.35Å; I1199-N1202 PolarHBondContact O-N 3.05Å; I1199-L1203 WeakPolarHBondContact O-CG 3.43Å; I1199-L1203 PolarHBondContact O-N 3.49Å; I1199-L1223 HydrophobicContact CG2-CD1 3.91Å; I1199-N1226 HydrophobicContact CD1-CB 3.8Å; I1199-N1226 HydrophobicContact CG1-CB 3.98Å; I1199-N1226 HydrophobicContact CG2-CB 4.04Å; I1199-L1287 HydrophobicContact CD1-CD1 4.15Å; I1199-L1287 HydrophobicContact CD1-CD2 4.19Å |
| 1200 | V | 89.7 | Confident | 89.8 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.376 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.6 | M1196 E1198 L1203 F1357 | M1196-V1200 HydrophobicContact CE-CG2 4Å; M1196-V1200 HydrophobicContact CG-CG2 4.43Å; M1196-V1200 WeakPolarHBondContact O-CG2 3.44Å; M1196-V1200 PolarHBondContact O-N 3.15Å; M1196-V1200 HydrophobicContact SD-CG2 4.48Å; E1198-V1200 PolarHBondContact O-N 2.85Å; V1200-L1203 WeakPolarHBondContact O-CB 3.36Å; V1200-L1203 PolarHBondContact O-N 3.45Å; V1200-F1357 HydrophobicContact CG2-CE1 4.45Å; V1200-F1357 HydrophobicContact CG2-CZ 3.88Å |
| 1201 | S | 90.6 | Very high | 89.5 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 172.5 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | V1197 E1198 I1199 L1203 S1204 | V1197-S1201 VanDerWaalsContact O-CB 3.27Å; V1197-S1201 WeakPolarHBondContact O-CB 3.37Å; V1197-S1201 PolarHBondContact O-N 3.5Å; E1198-S1201 WeakPolarHBondContact O-CB 3.37Å; E1198-S1201 PolarHBondContact O-N 2.87Å; I1199-S1201 VanDerWaalsContact C-N 3.34Å; I1199-S1201 PolarHBondContact O-N 3.35Å; S1201-L1203 VanDerWaalsContact C-N 3.26Å; S1201-L1203 PolarHBondContact O-N 2.66Å; S1201-S1204 WeakPolarHBondContact O-CB 3.42Å; S1201-S1204 PolarHBondContact O-N 2.8Å; S1201-S1204 PolarHBondContact O-OG 3.07Å |
| 1202 | N | 91.8 | Very high | 89.3 | Confident | 70 Ų | 70 | 58 Ų | 58 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -26.7 | 177.8 | -63.8 | -20.8 | 0 | 0 | 0 | 112.7 | E1198 I1199 S1204 E1205 | E1198-N1202 PolarHBondContact O-N 3.02Å; E1198-N1202 PolarHBondContact O-ND2 2.88Å; I1199-N1202 PolarHBondContact O-N 3.05Å; N1202-S1204 PolarHBondContact O-N 3.39Å; N1202-S1204 VanDerWaalsContact O-N 3.17Å; N1202-E1205 PolarHBondContact O-N 3.48Å |
| 1203 | L | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.5 | -15.1 | 172.3 | -60.1 | -169.2 | 0 | 0 | 0 | 113.4 | I1199 V1200 S1201 E1205 F1206 K1219 L1223 L1358 | I1199-L1203 WeakPolarHBondContact O-CG 3.43Å; I1199-L1203 PolarHBondContact O-N 3.49Å; V1200-L1203 WeakPolarHBondContact O-CB 3.36Å; V1200-L1203 PolarHBondContact O-N 3.45Å; S1201-L1203 VanDerWaalsContact C-N 3.26Å; S1201-L1203 PolarHBondContact O-N 2.66Å; L1203-E1205 VanDerWaalsContact C-N 3.34Å; L1203-F1206 HydrophobicContact CD2-CD2 4.39Å; L1203-F1206 HydrophobicContact CD2-CE2 4.11Å; L1203-K1219 HydrophobicContact CB-CG 4.23Å; L1203-K1219 HydrophobicContact CD1-CB 4.39Å; L1203-K1219 VanDerWaalsContact O-CE 3.29Å; L1203-K1219 WeakPolarHBondContact O-CE 3.5Å; L1203-L1223 HydrophobicContact CD1-CB 4.42Å; L1203-L1358 HydrophobicContact CD1-CD2 3.65Å |
| 1204 | S | 85.8 | Confident | 89 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -71.2 | -24.4 | 178.5 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | S1201 N1202 F1206 N1207 | S1201-S1204 WeakPolarHBondContact O-CB 3.42Å; S1201-S1204 PolarHBondContact O-N 2.8Å; S1201-S1204 PolarHBondContact O-OG 3.07Å; N1202-S1204 PolarHBondContact O-N 3.39Å; N1202-S1204 VanDerWaalsContact O-N 3.17Å; S1204-F1206 PolarHBondContact O-N 3.13Å; S1204-N1207 WeakPolarHBondContact O-CB 3.46Å; S1204-N1207 PolarHBondContact O-N 3.22Å; S1204-N1207 PolarHBondContact O-ND2 3.31Å; S1204-N1207 VanDerWaalsContact O-ND2 3.15Å |
| 1205 | E | 86.8 | Confident | 89 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -57.7 | -34.6 | 176.1 | -63.8 | -169.5 | 163.4 | 0 | 0 | 111.9 | N1202 L1203 N1207 E1208 | N1202-E1205 PolarHBondContact O-N 3.48Å; L1203-E1205 VanDerWaalsContact C-N 3.34Å; E1205-N1207 PolarHBondContact O-N 3.3Å; E1205-N1207 VanDerWaalsContact O-N 3.13Å; E1205-E1208 PolarHBondContact O-N 3.5Å |
| 1206 | F | 89.9 | Confident | 89 | Confident | 51 Ų | 51 | 53 Ų | 53 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -69.1 | -8.4 | 179.2 | -54.8 | -53.4 | 0 | 0 | 0 | 113.6 | L1203 S1204 E1208 I1209 R1215 I1218 K1219 | L1203-F1206 HydrophobicContact CD2-CD2 4.39Å; L1203-F1206 HydrophobicContact CD2-CE2 4.11Å; S1204-F1206 PolarHBondContact O-N 3.13Å; F1206-E1208 PolarHBondContact O-N 2.71Å; F1206-E1208 VanDerWaalsContact O-N 3.15Å; F1206-I1209 HydrophobicContact CB-CD1 4.13Å; F1206-I1209 HydrophobicContact CD1-CD1 4.4Å; F1206-I1209 WeakPolarHBondContact O-CB 3.47Å; F1206-I1209 WeakPolarHBondContact O-CG1 3.4Å; F1206-I1209 PolarHBondContact O-N 3.3Å; F1206-R1215 WeakPolarHBondContact O-CD 3.2Å; F1206-R1215 WeakPolarHBondContact O-CG 3.5Å; F1206-I1218 HydrophobicContact CD1-CG2 3.42Å; F1206-I1218 VanDerWaalsContact CD1-CG2 3.42Å; F1206-I1218 HydrophobicContact CD2-CG2 4.11Å; F1206-I1218 HydrophobicContact CE1-CG2 3.48Å; F1206-I1218 VanDerWaalsContact CE1-CG2 3.48Å; F1206-I1218 HydrophobicContact CE2-CG2 4.16Å; F1206-I1218 HydrophobicContact CG-CG2 3.76Å; F1206-I1218 HydrophobicContact CZ-CG2 3.86Å; F1206-K1219 HydrophobicContact CB-CG 4.06Å; F1206-K1219 HydrophobicContact CD2-CG 4.01Å; F1206-K1219 HydrophobicContact CG-CG 4.48Å |
| 1207 | N | 85.8 | Confident | 89 | Confident | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -62.4 | -16.5 | 174.7 | -66.1 | -25.3 | 0 | 0 | 0 | 113.5 | S1204 E1205 I1209 K1219 | S1204-N1207 WeakPolarHBondContact O-CB 3.46Å; S1204-N1207 PolarHBondContact O-N 3.22Å; S1204-N1207 PolarHBondContact O-ND2 3.31Å; S1204-N1207 VanDerWaalsContact O-ND2 3.15Å; E1205-N1207 PolarHBondContact O-N 3.3Å; E1205-N1207 VanDerWaalsContact O-N 3.13Å; N1207-I1209 PolarHBondContact O-N 2.93Å; N1207-K1219 VanDerWaalsContact OD1-CE 3.28Å; N1207-K1219 WeakPolarHBondContact OD1-CE 3.49Å; N1207-K1219 PolarHBondContact OD1-NZ 3.07Å |
| 1208 | E | 82 | Confident | 89 | Confident | 140 Ų | 140 | 51.3 Ų | 51.3 | 65% | 0.654 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -61.7 | -31.1 | 170.3 | -69.6 | -151.7 | 153.8 | 0 | 0 | 113.4 | E1205 F1206 K1210 | E1205-E1208 PolarHBondContact O-N 3.5Å; F1206-E1208 PolarHBondContact O-N 2.71Å; F1206-E1208 VanDerWaalsContact O-N 3.15Å; E1208-K1210 WeakPolarHBondContact O-CD 3.48Å; E1208-K1210 VanDerWaalsContact O-CE 3.29Å; E1208-K1210 WeakPolarHBondContact O-CE 3.4Å; E1208-K1210 PolarHBondContact O-N 3.25Å; E1208-K1210 PolarHBondContact O-NZ 2.8Å |
| 1209 | I | 86.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | trans | -64.8 | 119.2 | -175.6 | -62.8 | 167.1 | 0 | 0 | 0 | 109.7 | F1206 N1207 F1211 R1215 I1218 F1452 | F1206-I1209 HydrophobicContact CB-CD1 4.13Å; F1206-I1209 HydrophobicContact CD1-CD1 4.4Å; F1206-I1209 WeakPolarHBondContact O-CB 3.47Å; F1206-I1209 WeakPolarHBondContact O-CG1 3.4Å; F1206-I1209 PolarHBondContact O-N 3.3Å; N1207-I1209 PolarHBondContact O-N 2.93Å; I1209-F1211 VanDerWaalsContact C-N 3.34Å; I1209-F1211 PolarHBondContact O-N 3.19Å; I1209-R1215 HydrophobicContact CB-CB 3.94Å; I1209-R1215 HydrophobicContact CB-CG 4.35Å; I1209-R1215 HydrophobicContact CG2-CB 3.88Å; I1209-R1215 PolarHBondContact O-NH1 3.06Å; I1209-I1218 HydrophobicContact CD1-CB 4.35Å; I1209-I1218 HydrophobicContact CD1-CD1 3.87Å; I1209-F1452 HydrophobicContact CG1-CB 4.31Å; I1209-F1452 HydrophobicContact CG2-CB 4.06Å; I1209-F1452 HydrophobicContact CG2-CG 4.25Å | ||
| 1210 | K | 83.8 | Confident | 89.1 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -79.5 | -10.3 | -172.4 | -57.7 | -52.5 | 178 | -158.5 | 0 | 115.1 | E1208 F1452 Q1454 | E1208-K1210 WeakPolarHBondContact O-CD 3.48Å; E1208-K1210 VanDerWaalsContact O-CE 3.29Å; E1208-K1210 WeakPolarHBondContact O-CE 3.4Å; E1208-K1210 PolarHBondContact O-N 3.25Å; E1208-K1210 PolarHBondContact O-NZ 2.8Å; K1210-F1452 PolarHBondContact N-O 3.5Å; K1210-Q1454 HydrophobicContact CB-CG 4.09Å; K1210-Q1454 HydrophobicContact CG-CG 4.34Å |
| 1211 | F | 84.6 | Confident | 89.3 | Confident | 47 Ų | 47 | 46 Ų | 46 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | trans | -109.1 | 115.4 | 179.1 | -59.3 | -82.8 | 0 | 0 | 0 | 110.3 | I1209 A1213 Y1214 R1215 F1451 Q1454 | I1209-F1211 VanDerWaalsContact C-N 3.34Å; I1209-F1211 PolarHBondContact O-N 3.19Å; F1211-A1213 PolarHBondContact O-N 2.96Å; F1211-Y1214 HydrophobicContact CB-CD2 3.72Å; F1211-Y1214 HydrophobicContact CB-CE2 4.45Å; F1211-Y1214 HydrophobicContact CG-CD2 4.45Å; F1211-Y1214 PolarHBondContact O-N 3.14Å; F1211-R1215 PolarHBondContact O-N 3.39Å; F1211-F1451 HydrophobicContact CD2-CE1 4.41Å; F1211-F1451 HydrophobicContact CE2-CD1 4.37Å; F1211-F1451 HydrophobicContact CE2-CE1 4.05Å; F1211-F1451 HydrophobicContact CE2-CZ 4.23Å; F1211-F1451 WeakPolarHBondContact CE2-O 3.42Å; F1211-F1451 HydrophobicContact CZ-CE1 4.43Å; F1211-F1451 HydrophobicContact CZ-CZ 4.19Å; F1211-Q1454 HydrophobicContact CE2-CG 3.75Å; F1211-Q1454 HydrophobicContact CZ-CG 3.96Å; F1211-Q1454 VanDerWaalsContact CZ-NE2 3.29Å | ||
| 1212 | S | 87.6 | Confident | 89.5 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56 | -43.3 | -173 | 50 | 0 | 0 | 0 | 0 | 114.2 | Y1214 R1215 T1216 A1363 | S1212-Y1214 PolarHBondContact O-N 2.87Å; S1212-R1215 PolarHBondContact O-N 3.07Å; S1212-T1216 WeakPolarHBondContact O-CB 3.4Å; S1212-T1216 PolarHBondContact O-N 3.37Å; S1212-T1216 PolarHBondContact O-OG1 2.95Å; S1212-A1363 VanDerWaalsContact CB-CB 3.44Å |
| 1213 | A | 88 | Confident | 89.6 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1211 A1217 F1364 V1403 V1407 | F1211-A1213 PolarHBondContact O-N 2.96Å; A1213-A1217 WeakPolarHBondContact O-CB 3.34Å; A1213-A1217 PolarHBondContact O-N 3.12Å; A1213-F1364 HydrophobicContact CB-CE1 4.22Å; A1213-V1403 HydrophobicContact CB-CG1 4.32Å; A1213-V1407 HydrophobicContact CB-CG2 4.07Å |
| 1214 | Y | 90.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -37.3 | 175.7 | -61.9 | -88.1 | 0 | 0 | 0 | 112.4 | F1211 S1212 A1217 I1218 V1407 I1411 L1434 Y1436 F1452 E1468 | F1211-Y1214 HydrophobicContact CB-CD2 3.72Å; F1211-Y1214 HydrophobicContact CB-CE2 4.45Å; F1211-Y1214 HydrophobicContact CG-CD2 4.45Å; F1211-Y1214 PolarHBondContact O-N 3.14Å; S1212-Y1214 PolarHBondContact O-N 2.87Å; Y1214-A1217 PolarHBondContact O-N 3.07Å; Y1214-I1218 WeakPolarHBondContact O-CB 3.27Å; Y1214-I1218 WeakPolarHBondContact O-CG1 3.5Å; Y1214-I1218 PolarHBondContact O-N 3.37Å; Y1214-V1407 HydrophobicContact CD1-CG1 3.41Å; Y1214-V1407 VanDerWaalsContact CD1-CG1 3.41Å; Y1214-V1407 HydrophobicContact CE1-CG1 3.76Å; Y1214-V1407 HydrophobicContact CG-CG1 3.86Å; Y1214-I1411 HydrophobicContact CD1-CD1 4.29Å; Y1214-L1434 HydrophobicContact CD1-CD1 4.35Å; Y1214-L1434 HydrophobicContact CE1-CD1 4.01Å; Y1214-Y1436 VanDerWaalsContact CE1-OH 3.24Å; Y1214-Y1436 WeakPolarHBondContact CE1-OH 3.42Å; Y1214-F1452 HydrophobicContact CD1-CD1 4.41Å; Y1214-F1452 AromaticContact CD1-CE1 3.34Å; Y1214-F1452 HydrophobicContact CD1-CE1 3.34Å; Y1214-F1452 AromaticContact CD1-CZ 3.61Å; Y1214-F1452 HydrophobicContact CD1-CZ 3.61Å; Y1214-F1452 HydrophobicContact CD2-CE1 4.21Å; Y1214-F1452 AromaticContact CE1-CE1 3.9Å; Y1214-F1452 HydrophobicContact CE1-CE1 3.9Å; Y1214-F1452 HydrophobicContact CE1-CZ 4.35Å; Y1214-F1452 HydrophobicContact CG-CD1 4.19Å; Y1214-F1452 AromaticContact CG-CE1 3.51Å; Y1214-F1452 HydrophobicContact CG-CE1 3.51Å; Y1214-F1452 HydrophobicContact CG-CZ 4.04Å; Y1214-E1468 VanDerWaalsContact CE1-OE2 3.26Å; Y1214-E1468 WeakPolarHBondContact CE1-OE2 3.46Å; Y1214-E1468 VanDerWaalsContact CZ-OE2 3.32Å; Y1214-E1468 PolarHBondContact OH-OE2 3.17Å |
| 1215 | R | 91.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 175.6 | -179.3 | 169.6 | 62.3 | -127.3 | 5.9 | 111.4 | F1206 I1209 F1211 S1212 I1218 K1219 E1360 | F1206-R1215 WeakPolarHBondContact O-CD 3.2Å; F1206-R1215 WeakPolarHBondContact O-CG 3.5Å; I1209-R1215 HydrophobicContact CB-CB 3.94Å; I1209-R1215 HydrophobicContact CB-CG 4.35Å; I1209-R1215 HydrophobicContact CG2-CB 3.88Å; I1209-R1215 PolarHBondContact O-NH1 3.06Å; F1211-R1215 PolarHBondContact O-N 3.39Å; S1212-R1215 PolarHBondContact O-N 3.07Å; R1215-I1218 PolarHBondContact O-N 2.94Å; R1215-K1219 HydrophobicContact CG-CD 4.44Å; R1215-K1219 WeakPolarHBondContact O-CG 3.31Å; R1215-K1219 PolarHBondContact O-N 3.18Å; R1215-E1360 VanDerWaalsContact CD-OE1 3.31Å; R1215-E1360 WeakPolarHBondContact CD-OE1 3.43Å; R1215-E1360 WeakPolarHBondContact CG-OE1 3.33Å; R1215-E1360 IonicContact CZ-OE1 3.32Å; R1215-E1360 IonicContact CZ-OE2 2.87Å; R1215-E1360 VanDerWaalsContact CZ-OE2 3.27Å; R1215-E1360 VanDerWaalsContact NE-CD 3.27Å; R1215-E1360 IonicContact NE-OE1 2.7Å; R1215-E1360 PolarHBondContact NE-OE1 2.91Å; R1215-E1360 IonicContact NE-OE2 2.65Å; R1215-E1360 PolarHBondContact NE-OE2 2.86Å; R1215-E1360 IonicContact NH2-OE1 3.64Å; R1215-E1360 IonicContact NH2-OE2 3.7Å; R1215-E1360 PolarHBondContact NH2-OE2 3.13Å |
| 1216 | T | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.7 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | S1212 I1218 K1219 L1220 L1358 E1360 F1364 W1404 | S1212-T1216 WeakPolarHBondContact O-CB 3.4Å; S1212-T1216 PolarHBondContact O-N 3.37Å; S1212-T1216 PolarHBondContact O-OG1 2.95Å; T1216-I1218 PolarHBondContact O-N 3.47Å; T1216-K1219 PolarHBondContact O-N 2.87Å; T1216-L1220 HydrophobicContact CG2-CD1 4.15Å; T1216-L1220 WeakPolarHBondContact O-CB 3.21Å; T1216-L1220 WeakPolarHBondContact O-CG 3.41Å; T1216-L1220 PolarHBondContact O-N 2.95Å; T1216-L1358 HydrophobicContact CG2-CD1 4.06Å; T1216-E1360 HydrophobicContact CG2-CB 4.27Å; T1216-E1360 HydrophobicContact CG2-CG 4.33Å; T1216-E1360 WeakPolarHBondContact OG1-CB 3.27Å; T1216-E1360 WeakPolarHBondContact OG1-CG 3.37Å; T1216-F1364 HydrophobicContact CG2-CE2 3.87Å; T1216-F1364 HydrophobicContact CG2-CZ 4.15Å; T1216-F1364 VanDerWaalsContact OG1-CE2 3.28Å; T1216-F1364 WeakPolarHBondContact OG1-CE2 3.28Å; T1216-F1364 VanDerWaalsContact OG1-CZ 3.28Å; T1216-F1364 WeakPolarHBondContact OG1-CZ 3.31Å; T1216-W1404 HydrophobicContact CG2-CB 4.08Å; T1216-W1404 HydrophobicContact CG2-CG 4.41Å |
| 1217 | A | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1213 Y1214 R1221 V1407 M1408 I1411 | A1213-A1217 WeakPolarHBondContact O-CB 3.34Å; A1213-A1217 PolarHBondContact O-N 3.12Å; Y1214-A1217 PolarHBondContact O-N 3.07Å; A1217-R1221 WeakPolarHBondContact O-CB 3.36Å; A1217-R1221 PolarHBondContact O-N 3.2Å; A1217-V1407 HydrophobicContact CB-CB 4.06Å; A1217-V1407 HydrophobicContact CB-CG1 3.69Å; A1217-M1408 HydrophobicContact CB-CB 3.92Å; A1217-I1411 HydrophobicContact CB-CD1 3.74Å |
| 1218 | I | 92.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.7 | -39.9 | 175.2 | -68.6 | -177 | 0 | 0 | 0 | 111.4 | F1206 I1209 Y1214 R1215 T1216 L1220 R1221 S1222 I1411 F1452 | F1206-I1218 HydrophobicContact CD1-CG2 3.42Å; F1206-I1218 VanDerWaalsContact CD1-CG2 3.42Å; F1206-I1218 HydrophobicContact CD2-CG2 4.11Å; F1206-I1218 HydrophobicContact CE1-CG2 3.48Å; F1206-I1218 VanDerWaalsContact CE1-CG2 3.48Å; F1206-I1218 HydrophobicContact CE2-CG2 4.16Å; F1206-I1218 HydrophobicContact CG-CG2 3.76Å; F1206-I1218 HydrophobicContact CZ-CG2 3.86Å; I1209-I1218 HydrophobicContact CD1-CB 4.35Å; I1209-I1218 HydrophobicContact CD1-CD1 3.87Å; Y1214-I1218 WeakPolarHBondContact O-CB 3.27Å; Y1214-I1218 WeakPolarHBondContact O-CG1 3.5Å; Y1214-I1218 PolarHBondContact O-N 3.37Å; R1215-I1218 PolarHBondContact O-N 2.94Å; T1216-I1218 PolarHBondContact O-N 3.47Å; I1218-L1220 VanDerWaalsContact C-N 3.32Å; I1218-L1220 PolarHBondContact O-N 3.14Å; I1218-R1221 PolarHBondContact O-N 2.98Å; I1218-S1222 WeakPolarHBondContact O-CB 3.32Å; I1218-S1222 PolarHBondContact O-N 3.41Å; I1218-I1411 HydrophobicContact CD1-CD1 4.27Å; I1218-I1411 HydrophobicContact CG1-CD1 3.69Å; I1218-F1452 HydrophobicContact CD1-CD2 4.31Å; I1218-F1452 HydrophobicContact CD1-CE2 3.67Å; I1218-F1452 HydrophobicContact CD1-CZ 4.41Å |
| 1219 | K | 94.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.057 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 170.4 | -75.6 | 178.9 | 172 | 176.6 | 0 | 111.1 | L1203 F1206 N1207 R1215 T1216 S1222 L1223 L1358 E1360 | L1203-K1219 HydrophobicContact CB-CG 4.23Å; L1203-K1219 HydrophobicContact CD1-CB 4.39Å; L1203-K1219 VanDerWaalsContact O-CE 3.29Å; L1203-K1219 WeakPolarHBondContact O-CE 3.5Å; F1206-K1219 HydrophobicContact CB-CG 4.06Å; F1206-K1219 HydrophobicContact CD2-CG 4.01Å; F1206-K1219 HydrophobicContact CG-CG 4.48Å; N1207-K1219 VanDerWaalsContact OD1-CE 3.28Å; N1207-K1219 WeakPolarHBondContact OD1-CE 3.49Å; N1207-K1219 PolarHBondContact OD1-NZ 3.07Å; R1215-K1219 HydrophobicContact CG-CD 4.44Å; R1215-K1219 WeakPolarHBondContact O-CG 3.31Å; R1215-K1219 PolarHBondContact O-N 3.18Å; T1216-K1219 PolarHBondContact O-N 2.87Å; K1219-S1222 PolarHBondContact O-N 3.27Å; K1219-L1223 WeakPolarHBondContact O-CB 3.46Å; K1219-L1223 PolarHBondContact O-N 3.31Å; K1219-L1358 HydrophobicContact CB-CD1 3.85Å; K1219-L1358 HydrophobicContact CB-CD2 4.34Å; K1219-E1360 IonicContact NZ-OE1 2.8Å; K1219-E1360 PolarHBondContact NZ-OE1 2.89Å |
| 1220 | L | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.9 | -70.8 | 171 | 0 | 0 | 0 | 112.8 | T1216 I1218 S1222 L1223 Q1224 V1354 L1358 W1404 M1408 | T1216-L1220 HydrophobicContact CG2-CD1 4.15Å; T1216-L1220 WeakPolarHBondContact O-CB 3.21Å; T1216-L1220 WeakPolarHBondContact O-CG 3.41Å; T1216-L1220 PolarHBondContact O-N 2.95Å; I1218-L1220 VanDerWaalsContact C-N 3.32Å; I1218-L1220 PolarHBondContact O-N 3.14Å; L1220-S1222 VanDerWaalsContact C-N 3.29Å; L1220-S1222 PolarHBondContact O-N 3.11Å; L1220-L1223 PolarHBondContact O-N 3.49Å; L1220-Q1224 VanDerWaalsContact O-CB 3.25Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.4Å; L1220-Q1224 PolarHBondContact O-N 3.01Å; L1220-V1354 HydrophobicContact CD1-CG1 4.38Å; L1220-V1354 HydrophobicContact CD2-CG1 3.51Å; L1220-L1358 HydrophobicContact CD1-CD1 4.48Å; L1220-L1358 HydrophobicContact CD2-CD1 3.57Å; L1220-L1358 HydrophobicContact CG-CD1 3.61Å; L1220-W1404 HydrophobicContact CD1-CD2 4.17Å; L1220-W1404 HydrophobicContact CD1-CE3 3.29Å; L1220-W1404 HydrophobicContact CD1-CZ3 3.64Å; L1220-M1408 HydrophobicContact CB-CE 4.32Å; L1220-M1408 HydrophobicContact CB-SD 3.62Å; L1220-M1408 HydrophobicContact CD1-SD 4.39Å |
| 1221 | R | 93.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 11% | 0.109 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | 176.1 | -178.5 | 55.4 | 172.7 | 157.6 | 2.2 | 112.7 | A1217 I1218 Q1224 K1225 D1230 E1415 | A1217-R1221 WeakPolarHBondContact O-CB 3.36Å; A1217-R1221 PolarHBondContact O-N 3.2Å; I1218-R1221 PolarHBondContact O-N 2.98Å; R1221-Q1224 VanDerWaalsContact CD-OE1 3.24Å; R1221-K1225 PolarHBondContact O-N 3.39Å; R1221-D1230 IonicContact CZ-OD2 3.05Å; R1221-D1230 VanDerWaalsContact NH1-CG 3.35Å; R1221-D1230 IonicContact NH1-OD2 2.78Å; R1221-D1230 PolarHBondContact NH1-OD2 3.5Å; R1221-D1230 IonicContact NH2-OD2 3.99Å; R1221-D1230 PolarHBondContact NH2-OD2 3.22Å; R1221-E1415 IonicContact CZ-OE2 3.37Å; R1221-E1415 IonicContact NE-OE2 2.63Å; R1221-E1415 PolarHBondContact NE-OE2 2.98Å; R1221-E1415 IonicContact NH2-OE2 2.69Å; R1221-E1415 PolarHBondContact NH2-OE2 3.43Å |
| 1222 | S | 94.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 22 Ų | 22 | 21% | 0.21 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.4 | -47 | 172 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | I1218 K1219 L1220 K1225 N1226 | I1218-S1222 WeakPolarHBondContact O-CB 3.32Å; I1218-S1222 PolarHBondContact O-N 3.41Å; K1219-S1222 PolarHBondContact O-N 3.27Å; L1220-S1222 VanDerWaalsContact C-N 3.29Å; L1220-S1222 PolarHBondContact O-N 3.11Å; S1222-K1225 PolarHBondContact O-N 2.84Å; S1222-N1226 PolarHBondContact O-N 3.12Å; S1222-N1226 VanDerWaalsContact O-N 3.11Å; S1222-N1226 PolarHBondContact O-ND2 3.29Å |
| 1223 | L | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 177.5 | -177.9 | 59.2 | 0 | 0 | 0 | 112.2 | M1196 I1199 L1203 K1219 L1220 K1225 N1226 L1227 F1357 | M1196-L1223 HydrophobicContact CE-CD1 4Å; M1196-L1223 HydrophobicContact SD-CD1 4.43Å; I1199-L1223 HydrophobicContact CG2-CD1 3.91Å; L1203-L1223 HydrophobicContact CD1-CB 4.42Å; K1219-L1223 WeakPolarHBondContact O-CB 3.46Å; K1219-L1223 PolarHBondContact O-N 3.31Å; L1220-L1223 PolarHBondContact O-N 3.49Å; L1223-K1225 VanDerWaalsContact C-N 3.27Å; L1223-K1225 PolarHBondContact O-N 2.68Å; L1223-N1226 PolarHBondContact O-N 2.66Å; L1223-L1227 HydrophobicContact CD1-CD1 3.95Å; L1223-L1227 HydrophobicContact CD1-CG 4.02Å; L1223-L1227 HydrophobicContact CG-CD1 4.03Å; L1223-L1227 HydrophobicContact CG-CG 4.42Å; L1223-L1227 WeakPolarHBondContact O-CG 3.26Å; L1223-L1227 PolarHBondContact O-N 2.86Å; L1223-F1357 HydrophobicContact CD2-CE1 4.31Å |
| 1224 | Q | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -50.6 | -46.3 | 176.3 | -164.2 | -164.5 | 15.8 | 0 | 0 | 111.8 | L1220 R1221 L1227 Y1228 L1229 D1230 L1316 C1317 M1408 | L1220-Q1224 VanDerWaalsContact O-CB 3.25Å; L1220-Q1224 WeakPolarHBondContact O-CB 3.4Å; L1220-Q1224 PolarHBondContact O-N 3.01Å; R1221-Q1224 VanDerWaalsContact CD-OE1 3.24Å; Q1224-L1227 PolarHBondContact O-N 3.21Å; Q1224-Y1228 PolarHBondContact O-N 2.97Å; Q1224-Y1228 VanDerWaalsContact O-N 3.15Å; Q1224-L1229 HydrophobicContact CG-CB 4.46Å; Q1224-L1229 PolarHBondContact O-N 3.33Å; Q1224-D1230 HydrophobicContact CG-CB 3.87Å; Q1224-L1316 HydrophobicContact CB-CD2 4.43Å; Q1224-L1316 HydrophobicContact CG-CB 4.34Å; Q1224-L1316 HydrophobicContact CG-CD2 4.43Å; Q1224-L1316 WeakPolarHBondContact CG-O 3.38Å; Q1224-L1316 PolarHBondContact NE2-O 3.31Å; Q1224-C1317 PolarHBondContact NE2-O 2.85Å; Q1224-M1408 HydrophobicContact CB-CE 4.05Å; Q1224-M1408 VanDerWaalsContact CD-CE 3.46Å; Q1224-M1408 HydrophobicContact CG-CE 4.08Å |
| 1225 | K | 93 | Very high | 93.3 | Very high | 76 Ų | 76 | 30.2 Ų | 30.2 | 33% | 0.33 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -69.3 | -38.3 | 177.4 | -75.4 | -177.2 | 178.6 | -176.4 | 0 | 113.7 | R1221 S1222 L1223 L1227 Y1228 D1230 E1415 | R1221-K1225 PolarHBondContact O-N 3.39Å; S1222-K1225 PolarHBondContact O-N 2.84Å; L1223-K1225 VanDerWaalsContact C-N 3.27Å; L1223-K1225 PolarHBondContact O-N 2.68Å; K1225-L1227 VanDerWaalsContact C-N 3.29Å; K1225-L1227 PolarHBondContact O-N 3.33Å; K1225-Y1228 PolarHBondContact O-N 3.01Å; K1225-D1230 WeakPolarHBondContact CG-OD2 3.26Å; K1225-E1415 IonicContact NZ-OE1 3.62Å; K1225-E1415 PolarHBondContact NZ-OE1 2.67Å; K1225-E1415 IonicContact NZ-OE2 2.77Å; K1225-E1415 PolarHBondContact NZ-OE2 3.11Å |
| 1226 | N | 93.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 32% | 0.321 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -72.1 | -24.1 | 178 | -77.7 | -86.9 | 0 | 0 | 0 | 112.7 | I1199 S1222 L1223 | I1199-N1226 HydrophobicContact CD1-CB 3.8Å; I1199-N1226 HydrophobicContact CG1-CB 3.98Å; I1199-N1226 HydrophobicContact CG2-CB 4.04Å; S1222-N1226 PolarHBondContact O-N 3.12Å; S1222-N1226 VanDerWaalsContact O-N 3.11Å; S1222-N1226 PolarHBondContact O-ND2 3.29Å; L1223-N1226 PolarHBondContact O-N 2.66Å |
| 1227 | L | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.6 | 171.8 | -60.3 | -179.2 | 0 | 0 | 0 | 113.2 | L1223 Q1224 K1225 L1229 Y1267 L1287 W1291 L1316 | L1223-L1227 HydrophobicContact CD1-CD1 3.95Å; L1223-L1227 HydrophobicContact CD1-CG 4.02Å; L1223-L1227 HydrophobicContact CG-CD1 4.03Å; L1223-L1227 HydrophobicContact CG-CG 4.42Å; L1223-L1227 WeakPolarHBondContact O-CG 3.26Å; L1223-L1227 PolarHBondContact O-N 2.86Å; Q1224-L1227 PolarHBondContact O-N 3.21Å; K1225-L1227 VanDerWaalsContact C-N 3.29Å; K1225-L1227 PolarHBondContact O-N 3.33Å; L1227-L1229 HydrophobicContact CB-CD1 4.1Å; L1227-L1229 HydrophobicContact CB-CG 4.02Å; L1227-L1229 HydrophobicContact CD1-CD1 4.27Å; L1227-L1229 PolarHBondContact O-N 3.46Å; L1227-L1229 VanDerWaalsContact O-N 3.09Å; L1227-Y1267 WeakPolarHBondContact O-CE1 3.25Å; L1227-Y1267 PolarHBondContact O-OH 3.43Å; L1227-L1287 HydrophobicContact CD2-CB 3.84Å; L1227-W1291 HydrophobicContact CD1-CB 3.94Å; L1227-W1291 HydrophobicContact CD1-CD2 3.78Å; L1227-W1291 HydrophobicContact CD1-CE3 3.83Å; L1227-W1291 HydrophobicContact CD1-CG 3.82Å; L1227-L1316 HydrophobicContact CD1-CD1 4.37Å |
| 1228 | Y | 94.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 15.8 | -175 | -55.5 | -91.4 | 0 | 0 | 0 | 115.5 | Q1224 K1225 D1230 L1231 L1277 L1278 A1284 | Q1224-Y1228 PolarHBondContact O-N 2.97Å; Q1224-Y1228 VanDerWaalsContact O-N 3.15Å; K1225-Y1228 PolarHBondContact O-N 3.01Å; Y1228-D1230 PolarHBondContact O-N 3.45Å; Y1228-L1231 HydrophobicContact CD1-CD1 3.98Å; Y1228-L1231 WeakPolarHBondContact O-CB 3.3Å; Y1228-L1231 PolarHBondContact O-N 3.36Å; Y1228-L1231 VanDerWaalsContact O-N 3.16Å; Y1228-L1277 HydrophobicContact CE1-CB 4.12Å; Y1228-L1277 VanDerWaalsContact CE1-O 3.31Å; Y1228-L1277 WeakPolarHBondContact CE1-O 3.49Å; Y1228-L1277 PolarHBondContact OH-O 3.41Å; Y1228-L1278 HydrophobicContact CD1-CB 4.48Å; Y1228-L1278 HydrophobicContact CD2-CD1 4.12Å; Y1228-L1278 HydrophobicContact CE1-CB 4.38Å; Y1228-L1278 HydrophobicContact CE2-CD1 3.95Å; Y1228-A1284 HydrophobicContact CD2-CB 4.12Å; Y1228-A1284 HydrophobicContact CE2-CB 4.42Å |
| 1229 | L | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -73.8 | -11.8 | -177.8 | -66.2 | 175.2 | 0 | 0 | 0 | 112.6 | Q1224 L1227 L1231 I1232 Y1267 W1291 L1313 L1316 C1317 D1318 | Q1224-L1229 HydrophobicContact CG-CB 4.46Å; Q1224-L1229 PolarHBondContact O-N 3.33Å; L1227-L1229 HydrophobicContact CB-CD1 4.1Å; L1227-L1229 HydrophobicContact CB-CG 4.02Å; L1227-L1229 HydrophobicContact CD1-CD1 4.27Å; L1227-L1229 PolarHBondContact O-N 3.46Å; L1227-L1229 VanDerWaalsContact O-N 3.09Å; L1229-L1231 PolarHBondContact O-N 3.22Å; L1229-I1232 HydrophobicContact CD2-CG2 4.45Å; L1229-Y1267 WeakPolarHBondContact CD2-OH 3.25Å; L1229-W1291 HydrophobicContact CD1-CZ3 4.44Å; L1229-L1313 HydrophobicContact CD1-CD2 4.22Å; L1229-L1313 HydrophobicContact CD2-CD2 4.03Å; L1229-L1316 CarbonylContact C-O 3.57Å; L1229-L1316 HydrophobicContact CB-CB 4.03Å; L1229-L1316 HydrophobicContact CD1-CB 3.73Å; L1229-L1316 HydrophobicContact CD1-CD1 3.92Å; L1229-L1316 HydrophobicContact CD1-CG 4.47Å; L1229-C1317 CarbonylContact O-C 3.55Å; L1229-C1317 VanDerWaalsContact O-CA 3.29Å; L1229-C1317 WeakPolarHBondContact O-CA 3.31Å; L1229-D1318 PolarHBondContact O-N 3.14Å |
| 1230 | D | 92.8 | Very high | 93 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -80 | 9.4 | 168.8 | 74.2 | -41.4 | 0 | 0 | 0 | 114.6 | R1221 Q1224 K1225 Y1228 | R1221-D1230 IonicContact CZ-OD2 3.05Å; R1221-D1230 VanDerWaalsContact NH1-CG 3.35Å; R1221-D1230 IonicContact NH1-OD2 2.78Å; R1221-D1230 PolarHBondContact NH1-OD2 3.5Å; R1221-D1230 IonicContact NH2-OD2 3.99Å; R1221-D1230 PolarHBondContact NH2-OD2 3.22Å; Q1224-D1230 HydrophobicContact CG-CB 3.87Å; K1225-D1230 WeakPolarHBondContact CG-OD2 3.26Å; Y1228-D1230 PolarHBondContact O-N 3.45Å |
| 1231 | L | 93 | Very high | 92.9 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -111.5 | -2 | 176.3 | -56.8 | -178.8 | 0 | 0 | 0 | 114.2 | Y1228 L1229 I1270 N1274 L1277 | Y1228-L1231 HydrophobicContact CD1-CD1 3.98Å; Y1228-L1231 WeakPolarHBondContact O-CB 3.3Å; Y1228-L1231 PolarHBondContact O-N 3.36Å; Y1228-L1231 VanDerWaalsContact O-N 3.16Å; L1229-L1231 PolarHBondContact O-N 3.22Å; L1231-I1270 HydrophobicContact CB-CG2 3.96Å; L1231-I1270 HydrophobicContact CD1-CG2 3.99Å; L1231-N1274 HydrophobicContact CD1-CB 4Å; L1231-L1277 HydrophobicContact CD1-CB 4.49Å; L1231-L1277 HydrophobicContact CD1-CD1 3.88Å; L1231-L1277 HydrophobicContact CD2-CD1 4.31Å |
| 1232 | I | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -115 | 135.1 | 178.2 | -171.4 | 164.8 | 0 | 0 | 0 | 111.4 | L1229 D1236 L1237 I1266 I1270 C1317 D1318 | L1229-I1232 HydrophobicContact CD2-CG2 4.45Å; I1232-D1236 HydrophobicContact CD1-CB 4.12Å; I1232-D1236 HydrophobicContact CG1-CB 3.92Å; I1232-L1237 HydrophobicContact CD1-CD2 3.77Å; I1232-L1237 HydrophobicContact CD1-CG 3.89Å; I1232-L1237 HydrophobicContact CG1-CG 4.15Å; I1232-L1237 HydrophobicContact CG2-CD1 4.39Å; I1232-L1237 HydrophobicContact CG2-CG 4.45Å; I1232-I1266 HydrophobicContact CD1-CB 4.36Å; I1232-I1266 HydrophobicContact CD1-CG1 4.24Å; I1232-I1266 HydrophobicContact CD1-CG2 3.81Å; I1232-I1270 HydrophobicContact CB-CD1 4.03Å; I1232-I1270 HydrophobicContact CB-CG1 4.04Å; I1232-I1270 HydrophobicContact CG2-CD1 4.26Å; I1232-C1317 HydrophobicContact CG2-CB 4.45Å; I1232-D1318 PolarHBondContact O-N 3.22Å |
| 1233 | Q | 93.3 | Very high | 92.1 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 40% | 0.402 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -83.3 | 163 | 178.7 | -57.9 | -66.2 | -59.6 | 0 | 0 | 111.4 | D1235 D1236 D1318 | Q1233-D1235 VanDerWaalsContact C-N 3.34Å; Q1233-D1235 PolarHBondContact O-N 3.2Å; Q1233-D1236 WeakPolarHBondContact CB-OD2 3.37Å; Q1233-D1236 PolarHBondContact N-OD2 2.78Å; Q1233-D1318 WeakPolarHBondContact CA-O 3.49Å; Q1233-D1318 PolarHBondContact NE2-OD2 3.19Å |
| 1234 | I | 92.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -33.6 | -180 | -172.6 | 160.3 | 0 | 0 | 0 | 113.7 | I1238 I1314 D1318 A1319 | I1234-I1238 HydrophobicContact CG1-CD1 4.01Å; I1234-I1238 WeakPolarHBondContact O-CG1 3.46Å; I1234-I1238 PolarHBondContact O-N 3.45Å; I1234-I1314 HydrophobicContact CD1-CD1 4.04Å; I1234-I1314 HydrophobicContact CD1-CG2 4.18Å; I1234-I1314 HydrophobicContact CG1-CD1 3.75Å; I1234-D1318 PolarHBondContact N-O 2.83Å; I1234-A1319 HydrophobicContact CB-CB 3.85Å; I1234-A1319 HydrophobicContact CD1-CB 4.49Å; I1234-A1319 HydrophobicContact CG2-CB 3.82Å |
| 1235 | D | 92.2 | Very high | 90.8 | Very high | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.9 | -39.4 | -178.1 | -65.3 | -39.1 | 0 | 0 | 0 | 111.9 | Q1233 L1237 I1238 D1239 | Q1233-D1235 VanDerWaalsContact C-N 3.34Å; Q1233-D1235 PolarHBondContact O-N 3.2Å; D1235-L1237 VanDerWaalsContact C-N 3.35Å; D1235-L1237 PolarHBondContact O-N 3.24Å; D1235-I1238 WeakPolarHBondContact O-CB 3.32Å; D1235-I1238 PolarHBondContact O-N 3Å; D1235-I1238 VanDerWaalsContact O-N 3.13Å; D1235-D1239 PolarHBondContact O-N 2.97Å |
| 1236 | D | 92.9 | Very high | 90.2 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.7 | -56.1 | -56.2 | 0 | 0 | 0 | 111.9 | I1232 Q1233 I1238 D1239 I1240 L1269 | I1232-D1236 HydrophobicContact CD1-CB 4.12Å; I1232-D1236 HydrophobicContact CG1-CB 3.92Å; Q1233-D1236 WeakPolarHBondContact CB-OD2 3.37Å; Q1233-D1236 PolarHBondContact N-OD2 2.78Å; D1236-I1238 VanDerWaalsContact C-N 3.33Å; D1236-I1238 PolarHBondContact O-N 3.47Å; D1236-D1239 PolarHBondContact O-N 2.94Å; D1236-I1240 WeakPolarHBondContact O-CG1 3.38Å; D1236-I1240 PolarHBondContact O-N 3.37Å; D1236-L1269 HydrophobicContact CB-CD2 3.78Å |
| 1237 | L | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.6 | -75.5 | 173.4 | 0 | 0 | 0 | 111.2 | I1232 D1235 I1240 F1241 I1266 L1313 I1314 C1317 | I1232-L1237 HydrophobicContact CD1-CD2 3.77Å; I1232-L1237 HydrophobicContact CD1-CG 3.89Å; I1232-L1237 HydrophobicContact CG1-CG 4.15Å; I1232-L1237 HydrophobicContact CG2-CD1 4.39Å; I1232-L1237 HydrophobicContact CG2-CG 4.45Å; D1235-L1237 VanDerWaalsContact C-N 3.35Å; D1235-L1237 PolarHBondContact O-N 3.24Å; L1237-I1240 PolarHBondContact O-N 2.86Å; L1237-F1241 HydrophobicContact CB-CE2 4.08Å; L1237-F1241 HydrophobicContact CB-CZ 4.12Å; L1237-F1241 HydrophobicContact CD2-CE1 4.45Å; L1237-F1241 HydrophobicContact CD2-CZ 4.15Å; L1237-F1241 WeakPolarHBondContact O-CB 3.38Å; L1237-F1241 WeakPolarHBondContact O-CD1 3.43Å; L1237-F1241 VanDerWaalsContact O-CD2 3.27Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.29Å; L1237-F1241 WeakPolarHBondContact O-CG 3.08Å; L1237-F1241 PolarHBondContact O-N 3.49Å; L1237-I1266 HydrophobicContact CD2-CD1 3.51Å; L1237-I1266 HydrophobicContact CD2-CG1 3.95Å; L1237-L1313 HydrophobicContact CD1-CB 4.31Å; L1237-L1313 HydrophobicContact CD2-CB 4.47Å; L1237-L1313 HydrophobicContact CD2-CD1 4.45Å; L1237-I1314 HydrophobicContact CB-CD1 4.47Å; L1237-I1314 HydrophobicContact CD1-CD1 4.19Å; L1237-C1317 HydrophobicContact CD1-CB 3.56Å |
| 1238 | I | 90.2 | Very high | 87.9 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 179.2 | -75.8 | 168.9 | 0 | 0 | 0 | 111.1 | I1234 D1235 D1236 F1241 N1242 Y1327 | I1234-I1238 HydrophobicContact CG1-CD1 4.01Å; I1234-I1238 WeakPolarHBondContact O-CG1 3.46Å; I1234-I1238 PolarHBondContact O-N 3.45Å; D1235-I1238 WeakPolarHBondContact O-CB 3.32Å; D1235-I1238 PolarHBondContact O-N 3Å; D1235-I1238 VanDerWaalsContact O-N 3.13Å; D1236-I1238 VanDerWaalsContact C-N 3.33Å; D1236-I1238 PolarHBondContact O-N 3.47Å; I1238-F1241 PolarHBondContact O-N 3.35Å; I1238-N1242 PolarHBondContact O-N 3.3Å; I1238-N1242 PolarHBondContact O-ND2 3.34Å; I1238-N1242 VanDerWaalsContact O-ND2 3.17Å; I1238-Y1327 HydrophobicContact CD1-CD2 3.74Å; I1238-Y1327 HydrophobicContact CD1-CE2 3.78Å; I1238-Y1327 HydrophobicContact CG1-CD2 4.15Å; I1238-Y1327 HydrophobicContact CG1-CE2 3.67Å |
| 1239 | D | 91.2 | Very high | 86.6 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.1 | -32.5 | 179 | -86.5 | -10.2 | 0 | 0 | 0 | 113.2 | D1235 D1236 N1242 Q1243 | D1235-D1239 PolarHBondContact O-N 2.97Å; D1236-D1239 PolarHBondContact O-N 2.94Å; D1239-N1242 PolarHBondContact O-N 3.4Å; D1239-N1242 PolarHBondContact OD1-ND2 3.37Å; D1239-Q1243 VanDerWaalsContact O-CG 3.24Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.38Å; D1239-Q1243 PolarHBondContact O-N 3.13Å; D1239-Q1243 PolarHBondContact O-NE2 2.63Å |
| 1240 | I | 90.7 | Very high | 85.3 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 171.7 | -66.6 | 169.1 | 0 | 0 | 0 | 111.2 | D1236 L1237 Q1243 N1244 T1262 P1265 I1266 | D1236-I1240 WeakPolarHBondContact O-CG1 3.38Å; D1236-I1240 PolarHBondContact O-N 3.37Å; L1237-I1240 PolarHBondContact O-N 2.86Å; I1240-Q1243 PolarHBondContact O-N 3.47Å; I1240-N1244 PolarHBondContact O-N 2.9Å; I1240-N1244 PolarHBondContact O-ND2 3.38Å; I1240-T1262 HydrophobicContact CG2-CG2 4.24Å; I1240-P1265 HydrophobicContact CD1-CB 4.38Å; I1240-P1265 HydrophobicContact CG2-CB 4.5Å; I1240-P1265 HydrophobicContact CG2-CG 3.83Å; I1240-I1266 HydrophobicContact CD1-CB 4.46Å; I1240-I1266 HydrophobicContact CD1-CG1 3.66Å; I1240-I1266 HydrophobicContact CG2-CD1 4.46Å; I1240-I1266 HydrophobicContact CG2-CG1 4.12Å |
| 1241 | F | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 172.7 | -60 | -22.2 | 0 | 0 | 0 | 112 | L1237 I1238 K1245 L1246 T1262 I1266 F1309 K1310 L1313 I1314 | L1237-F1241 HydrophobicContact CB-CE2 4.08Å; L1237-F1241 HydrophobicContact CB-CZ 4.12Å; L1237-F1241 HydrophobicContact CD2-CE1 4.45Å; L1237-F1241 HydrophobicContact CD2-CZ 4.15Å; L1237-F1241 WeakPolarHBondContact O-CB 3.38Å; L1237-F1241 WeakPolarHBondContact O-CD1 3.43Å; L1237-F1241 VanDerWaalsContact O-CD2 3.27Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.29Å; L1237-F1241 WeakPolarHBondContact O-CG 3.08Å; L1237-F1241 PolarHBondContact O-N 3.49Å; I1238-F1241 PolarHBondContact O-N 3.35Å; F1241-K1245 PolarHBondContact O-N 3.35Å; F1241-K1245 VanDerWaalsContact O-N 3.15Å; F1241-L1246 HydrophobicContact CB-CB 4.31Å; F1241-L1246 HydrophobicContact CD1-CD1 4.37Å; F1241-L1246 PolarHBondContact O-N 2.98Å; F1241-T1262 HydrophobicContact CD1-CG2 4.14Å; F1241-T1262 HydrophobicContact CE1-CG2 4.31Å; F1241-I1266 HydrophobicContact CE1-CD1 4.5Å; F1241-F1309 HydrophobicContact CE1-CD1 4.36Å; F1241-F1309 AromaticContact CE1-CE1 3.89Å; F1241-F1309 HydrophobicContact CE1-CE1 3.89Å; F1241-K1310 HydrophobicContact CD2-CD 4.19Å; F1241-K1310 HydrophobicContact CD2-CG 3.96Å; F1241-K1310 HydrophobicContact CE2-CB 4.3Å; F1241-K1310 HydrophobicContact CE2-CG 3.87Å; F1241-K1310 HydrophobicContact CG-CG 4.39Å; F1241-K1310 HydrophobicContact CZ-CG 4.23Å; F1241-L1313 HydrophobicContact CE1-CD1 3.98Å; F1241-L1313 HydrophobicContact CZ-CB 4.34Å; F1241-L1313 HydrophobicContact CZ-CD1 3.87Å; F1241-I1314 HydrophobicContact CE2-CD1 4.41Å; F1241-I1314 HydrophobicContact CE2-CG1 4.42Å |
| 1242 | N | 86.8 | Confident | 83.5 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 172.8 | -67.8 | -32.3 | 0 | 0 | 0 | 110.9 | I1238 D1239 N1244 K1245 Q1247 | I1238-N1242 PolarHBondContact O-N 3.3Å; I1238-N1242 PolarHBondContact O-ND2 3.34Å; I1238-N1242 VanDerWaalsContact O-ND2 3.17Å; D1239-N1242 PolarHBondContact O-N 3.4Å; D1239-N1242 PolarHBondContact OD1-ND2 3.37Å; N1242-N1244 VanDerWaalsContact C-N 3.35Å; N1242-N1244 PolarHBondContact O-N 3.02Å; N1242-K1245 PolarHBondContact O-N 2.9Å; N1242-K1245 VanDerWaalsContact O-N 3.1Å; N1242-Q1247 WeakPolarHBondContact OD1-CB 3.5Å; N1242-Q1247 WeakPolarHBondContact OD1-CG 3.33Å; N1242-Q1247 PolarHBondContact OD1-NE2 3.25Å |
| 1243 | Q | 85.8 | Confident | 82.9 | Confident | 143 Ų | 143 | 67.6 Ų | 67.6 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 178.7 | -74.2 | 165.5 | 60.6 | 0 | 0 | 112.6 | D1239 I1240 K1245 | D1239-Q1243 VanDerWaalsContact O-CG 3.24Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.38Å; D1239-Q1243 PolarHBondContact O-N 3.13Å; D1239-Q1243 PolarHBondContact O-NE2 2.63Å; I1240-Q1243 PolarHBondContact O-N 3.47Å; Q1243-K1245 VanDerWaalsContact C-N 3.27Å; Q1243-K1245 PolarHBondContact O-N 3.4Å |
| 1244 | N | 81.5 | Confident | 82.6 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 11.8 | 176.6 | -65.8 | -70.5 | 0 | 0 | 0 | 113.7 | I1240 N1242 L1246 | I1240-N1244 PolarHBondContact O-N 2.9Å; I1240-N1244 PolarHBondContact O-ND2 3.38Å; N1242-N1244 VanDerWaalsContact C-N 3.35Å; N1242-N1244 PolarHBondContact O-N 3.02Å; N1244-L1246 HydrophobicContact CB-CD1 4.27Å; N1244-L1246 HydrophobicContact CB-CG 4.18Å; N1244-L1246 PolarHBondContact O-N 3.24Å |
| 1245 | K | 80 | Confident | 82.3 | Confident | 179 Ų | 179 | 65.1 Ų | 65.1 | 78% | 0.778 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 13.3 | 177.5 | -52.2 | 178.4 | -177.7 | 174.7 | 0 | 116.4 | F1241 N1242 Q1243 Q1247 | F1241-K1245 PolarHBondContact O-N 3.35Å; F1241-K1245 VanDerWaalsContact O-N 3.15Å; N1242-K1245 PolarHBondContact O-N 2.9Å; N1242-K1245 VanDerWaalsContact O-N 3.1Å; Q1243-K1245 VanDerWaalsContact C-N 3.27Å; Q1243-K1245 PolarHBondContact O-N 3.4Å; K1245-Q1247 VanDerWaalsContact C-N 3.34Å; K1245-Q1247 PolarHBondContact O-N 2.86Å |
| 1246 | L | 79.7 | Confident | 82.1 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | trans | -80.6 | -6.2 | -173.8 | -58.7 | 176.7 | 0 | 0 | 0 | 114.7 | F1241 N1244 M1254 T1262 F1309 K1310 | F1241-L1246 HydrophobicContact CB-CB 4.31Å; F1241-L1246 HydrophobicContact CD1-CD1 4.37Å; F1241-L1246 PolarHBondContact O-N 2.98Å; N1244-L1246 HydrophobicContact CB-CD1 4.27Å; N1244-L1246 HydrophobicContact CB-CG 4.18Å; N1244-L1246 PolarHBondContact O-N 3.24Å; L1246-M1254 HydrophobicContact CD1-CE 3.51Å; L1246-M1254 HydrophobicContact CD1-SD 3.81Å; L1246-M1254 HydrophobicContact CD2-CE 3.91Å; L1246-M1254 HydrophobicContact CD2-CG 4.07Å; L1246-M1254 HydrophobicContact CD2-SD 3.7Å; L1246-M1254 HydrophobicContact CG-CE 4.36Å; L1246-M1254 HydrophobicContact CG-SD 4.37Å; L1246-T1262 HydrophobicContact CD1-CG2 3.81Å; L1246-F1309 HydrophobicContact CD1-CE1 4.42Å; L1246-K1310 WeakPolarHBondContact O-CE 3.4Å; L1246-K1310 PolarHBondContact O-NZ 2.91Å | ||
| 1247 | Q | 70.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 15% | 0.15 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -62.7 | -51 | -164.2 | -177.5 | 71.4 | -76.7 | 0 | 0 | 114.2 | N1242 K1245 K1310 Y1327 | N1242-Q1247 WeakPolarHBondContact OD1-CB 3.5Å; N1242-Q1247 WeakPolarHBondContact OD1-CG 3.33Å; N1242-Q1247 PolarHBondContact OD1-NE2 3.25Å; K1245-Q1247 VanDerWaalsContact C-N 3.34Å; K1245-Q1247 PolarHBondContact O-N 2.86Å; Q1247-K1310 PolarHBondContact O-NZ 3.02Å; Q1247-Y1327 PolarHBondContact OE1-OH 3.12Å |
| 1248 | D | 68 | Low | 81.4 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -95.8 | -8 | -177.2 | -70.5 | -51.3 | 0 | 0 | 0 | 113.6 | K1336 | D1248-K1336 WeakPolarHBondContact OD1-CE 3.45Å; D1248-K1336 IonicContact OD1-NZ 3.9Å; D1248-K1336 PolarHBondContact OD1-NZ 3.18Å; D1248-K1336 IonicContact OD2-NZ 2.67Å |
| 1249 | V | 67.9 | Low | 81.4 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | trans | -73.3 | 129 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | D1252 A1306 K1310 | V1249-D1252 HydrophobicContact CG1-CB 3.45Å; V1249-D1252 VanDerWaalsContact CG1-CB 3.45Å; V1249-D1252 WeakPolarHBondContact CG1-OD2 3.37Å; V1249-A1306 HydrophobicContact CB-CB 4.32Å; V1249-A1306 HydrophobicContact CG1-CB 3.77Å; V1249-K1310 WeakPolarHBondContact O-CE 3.41Å; V1249-K1310 PolarHBondContact O-NZ 3.43Å | ||
| 1250 | T | 66.9 | Low | 81.3 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | trans | -128.2 | -52 | -176 | 39.7 | 0 | 0 | 0 | 0 | 113.5 | L1307 Q1331 | T1250-L1307 WeakPolarHBondContact O-CB 3.29Å; T1250-L1307 PolarHBondContact O-N 3.11Å; T1250-Q1331 WeakPolarHBondContact CG2-O 3.49Å | ||
| 1251 | D | 69.9 | Low | 81.2 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -93 | -15.4 | -176.9 | -68.4 | -39.6 | 0 | 0 | 0 | 114.3 | ||
| 1252 | D | 78 | Confident | 81.2 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -61.6 | 144.2 | 175.8 | -49.9 | 9.8 | 0 | 0 | 0 | 111.5 | V1249 R1305 A1306 | V1249-D1252 HydrophobicContact CG1-CB 3.45Å; V1249-D1252 VanDerWaalsContact CG1-CB 3.45Å; V1249-D1252 WeakPolarHBondContact CG1-OD2 3.37Å; D1252-R1305 WeakPolarHBondContact O-CA 3.49Å; D1252-A1306 PolarHBondContact O-N 3.11Å |
| 1253 | Q | 81.5 | Confident | 81.5 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.9 | 175.8 | -62.7 | -59 | -35.3 | 0 | 0 | 110.2 | S1303 I1304 | Q1253-S1303 PolarHBondContact OE1-OG 3.14Å; Q1253-I1304 VanDerWaalsContact OE1-C 3.32Å |
| 1254 | M | 85.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 134.2 | 164.7 | -67.6 | 178.8 | 64.1 | 0 | 0 | 109.4 | L1246 E1258 M1259 S1303 I1304 A1306 F1309 | L1246-M1254 HydrophobicContact CD1-CE 3.51Å; L1246-M1254 HydrophobicContact CD1-SD 3.81Å; L1246-M1254 HydrophobicContact CD2-CE 3.91Å; L1246-M1254 HydrophobicContact CD2-CG 4.07Å; L1246-M1254 HydrophobicContact CD2-SD 3.7Å; L1246-M1254 HydrophobicContact CG-CE 4.36Å; L1246-M1254 HydrophobicContact CG-SD 4.37Å; M1254-E1258 WeakPolarHBondContact CA-OE2 3.37Å; M1254-E1258 HydrophobicContact CE-CB 4.39Å; M1254-M1259 HydrophobicContact CB-CG 4.37Å; M1254-M1259 HydrophobicContact CE-CG 4.22Å; M1254-M1259 VanDerWaalsContact O-CE 3.32Å; M1254-M1259 WeakPolarHBondContact O-CE 3.29Å; M1254-S1303 WeakPolarHBondContact O-CA 3.36Å; M1254-S1303 WeakPolarHBondContact O-CB 3.22Å; M1254-I1304 PolarHBondContact N-O 2.98Å; M1254-I1304 PolarHBondContact O-N 2.95Å; M1254-I1304 VanDerWaalsContact O-N 3.13Å; M1254-A1306 HydrophobicContact CG-CB 4.04Å; M1254-A1306 HydrophobicContact SD-CB 4.04Å; M1254-F1309 HydrophobicContact CE-CD1 4.05Å; M1254-F1309 HydrophobicContact CE-CD2 4.45Å; M1254-F1309 HydrophobicContact CE-CE1 4.17Å; M1254-F1309 HydrophobicContact CE-CG 4.2Å; M1254-F1309 HydrophobicContact CE-CZ 4.42Å; M1254-F1309 HydrophobicContact SD-CB 3.96Å; M1254-F1309 HydrophobicContact SD-CD1 3.97Å; M1254-F1309 HydrophobicContact SD-CG 3.95Å |
| 1255 | D | 86.9 | Confident | 82.2 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 166.8 | 173.2 | 106.7 | -20.4 | 0 | 0 | 0 | 112.7 | R1177 S1257 E1258 M1259 | R1177-D1255 WeakPolarHBondContact CD-OD2 3.46Å; R1177-D1255 IonicContact CZ-OD2 2.86Å; R1177-D1255 IonicContact NE-OD2 3.2Å; R1177-D1255 IonicContact NH1-OD1 3.95Å; R1177-D1255 IonicContact NH1-OD2 2.72Å; R1177-D1255 PolarHBondContact NH1-OD2 3.46Å; D1255-S1257 VanDerWaalsContact C-N 3.28Å; D1255-S1257 PolarHBondContact O-N 3.39Å; D1255-S1257 VanDerWaalsContact OD1-CA 3.27Å; D1255-S1257 WeakPolarHBondContact OD1-CA 3.27Å; D1255-S1257 VanDerWaalsContact OD1-CB 3.31Å; D1255-S1257 WeakPolarHBondContact OD1-CB 3.41Å; D1255-S1257 PolarHBondContact OD1-N 2.89Å; D1255-E1258 PolarHBondContact N-OE2 2.97Å; D1255-E1258 PolarHBondContact O-N 3.28Å; D1255-E1258 PolarHBondContact OD1-N 3.22Å; D1255-M1259 WeakPolarHBondContact O-CG 3.48Å; D1255-M1259 PolarHBondContact O-N 2.87Å |
| 1256 | V | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -33.8 | -178.8 | -174.3 | 0 | 0 | 0 | 0 | 113.2 | R1177 V1178 M1259 V1260 L1289 G1302 | R1177-V1256 HydrophobicContact CB-CB 4.05Å; R1177-V1256 HydrophobicContact CB-CG2 4.48Å; R1177-V1256 WeakPolarHBondContact O-CB 3.43Å; R1177-V1256 VanDerWaalsContact O-CG1 3.23Å; R1177-V1256 WeakPolarHBondContact O-CG1 3.46Å; V1178-V1256 HydrophobicContact CG2-CG2 4.11Å; V1256-M1259 HydrophobicContact CG2-CE 4.45Å; V1256-M1259 PolarHBondContact O-N 3.35Å; V1256-V1260 VanDerWaalsContact O-CG2 3.3Å; V1256-V1260 WeakPolarHBondContact O-CG2 3.33Å; V1256-V1260 PolarHBondContact O-N 3.13Å; V1256-L1289 HydrophobicContact CG1-CD1 4Å; V1256-L1289 HydrophobicContact CG1-CD2 3.72Å; V1256-L1289 HydrophobicContact CG1-CG 4.42Å; V1256-G1302 WeakPolarHBondContact CG2-O 3.46Å; V1256-G1302 PolarHBondContact N-O 2.93Å |
| 1257 | S | 85.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.9 | -37 | 176.2 | -78.7 | 0 | 0 | 0 | 0 | 111.6 | S1156 D1255 V1260 M1261 | S1156-S1257 PolarHBondContact O-OG 3.32Å; D1255-S1257 VanDerWaalsContact C-N 3.28Å; D1255-S1257 PolarHBondContact O-N 3.39Å; D1255-S1257 VanDerWaalsContact OD1-CA 3.27Å; D1255-S1257 WeakPolarHBondContact OD1-CA 3.27Å; D1255-S1257 VanDerWaalsContact OD1-CB 3.31Å; D1255-S1257 WeakPolarHBondContact OD1-CB 3.41Å; D1255-S1257 PolarHBondContact OD1-N 2.89Å; S1257-V1260 PolarHBondContact O-N 3.33Å; S1257-M1261 WeakPolarHBondContact O-CB 3.35Å; S1257-M1261 WeakPolarHBondContact O-CG 3.46Å; S1257-M1261 PolarHBondContact O-N 3.44Å |
| 1258 | E | 85.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 44 Ų | 44 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 172.9 | -66 | 175.5 | 138.6 | 0 | 0 | 112 | M1254 D1255 M1261 T1262 | M1254-E1258 WeakPolarHBondContact CA-OE2 3.37Å; M1254-E1258 HydrophobicContact CE-CB 4.39Å; D1255-E1258 PolarHBondContact N-OE2 2.97Å; D1255-E1258 PolarHBondContact O-N 3.28Å; D1255-E1258 PolarHBondContact OD1-N 3.22Å; E1258-M1261 PolarHBondContact O-N 3.45Å; E1258-T1262 WeakPolarHBondContact O-CB 3.48Å; E1258-T1262 PolarHBondContact O-N 2.83Å; E1258-T1262 PolarHBondContact O-OG1 2.93Å |
| 1259 | M | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 169.9 | -68 | -176.9 | -122.6 | 0 | 0 | 111.3 | M1254 D1255 V1256 T1262 L1263 L1289 L1293 I1304 F1309 | M1254-M1259 HydrophobicContact CB-CG 4.37Å; M1254-M1259 HydrophobicContact CE-CG 4.22Å; M1254-M1259 VanDerWaalsContact O-CE 3.32Å; M1254-M1259 WeakPolarHBondContact O-CE 3.29Å; D1255-M1259 WeakPolarHBondContact O-CG 3.48Å; D1255-M1259 PolarHBondContact O-N 2.87Å; V1256-M1259 HydrophobicContact CG2-CE 4.45Å; V1256-M1259 PolarHBondContact O-N 3.35Å; M1259-T1262 PolarHBondContact O-N 3.26Å; M1259-L1263 WeakPolarHBondContact O-CB 3.31Å; M1259-L1263 VanDerWaalsContact O-CG 3.27Å; M1259-L1263 WeakPolarHBondContact O-CG 3.4Å; M1259-L1263 PolarHBondContact O-N 3.11Å; M1259-L1289 HydrophobicContact CB-CD1 4.1Å; M1259-L1289 HydrophobicContact SD-CD1 4.01Å; M1259-L1293 HydrophobicContact CE-CD2 4.32Å; M1259-L1293 HydrophobicContact SD-CD2 4.48Å; M1259-I1304 HydrophobicContact CE-CB 4.49Å; M1259-I1304 HydrophobicContact CE-CD1 4.38Å; M1259-I1304 HydrophobicContact CE-CG1 3.78Å; M1259-I1304 HydrophobicContact SD-CD1 3.93Å; M1259-I1304 HydrophobicContact SD-CG1 3.95Å; M1259-F1309 HydrophobicContact CB-CD2 4.36Å; M1259-F1309 HydrophobicContact CB-CE2 3.88Å; M1259-F1309 HydrophobicContact CG-CD2 3.79Å; M1259-F1309 HydrophobicContact CG-CE2 3.84Å; M1259-F1309 HydrophobicContact SD-CD2 4.24Å |
| 1260 | V | 89.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.1 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | Q1158 F1160 L1161 V1256 S1257 T1262 L1263 L1264 L1289 | Q1158-V1260 HydrophobicContact CG-CG2 4.46Å; F1160-V1260 HydrophobicContact CE1-CG1 3.97Å; F1160-V1260 HydrophobicContact CZ-CG1 3.85Å; L1161-V1260 HydrophobicContact CD1-CG1 3.88Å; L1161-V1260 HydrophobicContact CD1-CG2 3.82Å; V1256-V1260 VanDerWaalsContact O-CG2 3.3Å; V1256-V1260 WeakPolarHBondContact O-CG2 3.33Å; V1256-V1260 PolarHBondContact O-N 3.13Å; S1257-V1260 PolarHBondContact O-N 3.33Å; V1260-T1262 PolarHBondContact O-N 3.14Å; V1260-L1263 PolarHBondContact O-N 2.91Å; V1260-L1264 WeakPolarHBondContact O-CB 3.32Å; V1260-L1264 PolarHBondContact O-N 2.95Å; V1260-L1289 HydrophobicContact CG2-CD2 3.78Å |
| 1261 | M | 87.5 | Confident | 87.9 | Confident | 98 Ų | 98 | 39.8 Ų | 39.8 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.4 | -28.3 | 177.4 | -71.3 | -64.7 | -67.9 | 0 | 0 | 112.5 | S1257 E1258 P1265 | S1257-M1261 WeakPolarHBondContact O-CB 3.35Å; S1257-M1261 WeakPolarHBondContact O-CG 3.46Å; S1257-M1261 PolarHBondContact O-N 3.44Å; E1258-M1261 PolarHBondContact O-N 3.45Å; M1261-P1265 WeakPolarHBondContact O-CD 3.24Å |
| 1262 | T | 89.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82.2 | -35.5 | 174.5 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | I1240 F1241 L1246 E1258 M1259 V1260 P1265 I1266 F1309 | I1240-T1262 HydrophobicContact CG2-CG2 4.24Å; F1241-T1262 HydrophobicContact CD1-CG2 4.14Å; F1241-T1262 HydrophobicContact CE1-CG2 4.31Å; L1246-T1262 HydrophobicContact CD1-CG2 3.81Å; E1258-T1262 WeakPolarHBondContact O-CB 3.48Å; E1258-T1262 PolarHBondContact O-N 2.83Å; E1258-T1262 PolarHBondContact O-OG1 2.93Å; M1259-T1262 PolarHBondContact O-N 3.26Å; V1260-T1262 PolarHBondContact O-N 3.14Å; T1262-P1265 WeakPolarHBondContact O-CD 3.34Å; T1262-P1265 WeakPolarHBondContact O-CG 3.47Å; T1262-I1266 WeakPolarHBondContact O-CD1 3.42Å; T1262-F1309 HydrophobicContact CG2-CE1 3.67Å; T1262-F1309 HydrophobicContact CG2-CZ 3.93Å |
| 1263 | L | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.7 | -28.2 | 177.6 | -70.8 | 173.5 | 0 | 0 | 0 | 113.4 | M1259 V1260 I1266 Y1267 I1285 L1289 L1292 F1309 L1313 | M1259-L1263 WeakPolarHBondContact O-CB 3.31Å; M1259-L1263 VanDerWaalsContact O-CG 3.27Å; M1259-L1263 WeakPolarHBondContact O-CG 3.4Å; M1259-L1263 PolarHBondContact O-N 3.11Å; V1260-L1263 PolarHBondContact O-N 2.91Å; L1263-I1266 HydrophobicContact CD2-CD1 4.36Å; L1263-I1266 WeakPolarHBondContact O-CB 3.46Å; L1263-I1266 PolarHBondContact O-N 3.29Å; L1263-Y1267 HydrophobicContact CB-CD2 4.46Å; L1263-Y1267 HydrophobicContact CD2-CE2 4.29Å; L1263-Y1267 WeakPolarHBondContact O-CD2 3.48Å; L1263-Y1267 PolarHBondContact O-N 3.46Å; L1263-I1285 HydrophobicContact CB-CG1 4.49Å; L1263-I1285 HydrophobicContact CB-CG2 4.04Å; L1263-I1285 HydrophobicContact CD1-CG2 4.4Å; L1263-L1289 HydrophobicContact CD1-CB 4.08Å; L1263-L1292 HydrophobicContact CD1-CD1 4.13Å; L1263-L1292 HydrophobicContact CD2-CD1 4.42Å; L1263-F1309 HydrophobicContact CD1-CE2 4.47Å; L1263-F1309 HydrophobicContact CD2-CE2 4.3Å; L1263-F1309 HydrophobicContact CD2-CZ 4.05Å; L1263-F1309 HydrophobicContact CG-CE2 4.17Å; L1263-F1309 HydrophobicContact CG-CZ 4.04Å; L1263-L1313 HydrophobicContact CD2-CD1 4.28Å; L1263-L1313 HydrophobicContact CD2-CD2 4.29Å |
| 1264 | L | 91.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -55.8 | 178.6 | 178.3 | 59.3 | 0 | 0 | 0 | 113.5 | F1160 V1260 I1266 Y1267 E1268 V1281 I1285 | F1160-L1264 HydrophobicContact CE2-CD1 3.99Å; F1160-L1264 HydrophobicContact CZ-CD1 4.2Å; F1160-L1264 HydrophobicContact CZ-CD2 4.21Å; V1260-L1264 WeakPolarHBondContact O-CB 3.32Å; V1260-L1264 PolarHBondContact O-N 2.95Å; L1264-I1266 VanDerWaalsContact C-N 3.26Å; L1264-I1266 PolarHBondContact O-N 3.05Å; L1264-Y1267 PolarHBondContact O-N 3.46Å; L1264-E1268 HydrophobicContact CD1-CG 4.16Å; L1264-E1268 PolarHBondContact O-N 2.9Å; L1264-V1281 HydrophobicContact CD1-CG1 4.21Å; L1264-I1285 HydrophobicContact CB-CD1 4.23Å; L1264-I1285 HydrophobicContact CD1-CD1 3.71Å |
| 1265 | P | 91.2 | Very high | 89.3 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -29.9 | 177.4 | 24.8 | -34.3 | 0 | 0 | 0 | 113.1 | I1240 M1261 T1262 L1269 | I1240-P1265 HydrophobicContact CD1-CB 4.38Å; I1240-P1265 HydrophobicContact CG2-CB 4.5Å; I1240-P1265 HydrophobicContact CG2-CG 3.83Å; M1261-P1265 WeakPolarHBondContact O-CD 3.24Å; T1262-P1265 WeakPolarHBondContact O-CD 3.34Å; T1262-P1265 WeakPolarHBondContact O-CG 3.47Å; P1265-L1269 WeakPolarHBondContact O-CB 3.34Å; P1265-L1269 PolarHBondContact O-N 3.4Å |
| 1266 | I | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -53.8 | 173.6 | -73.7 | 168.2 | 0 | 0 | 0 | 110.3 | I1232 L1237 I1240 F1241 T1262 L1263 L1264 L1269 I1270 L1313 | I1232-I1266 HydrophobicContact CD1-CB 4.36Å; I1232-I1266 HydrophobicContact CD1-CG1 4.24Å; I1232-I1266 HydrophobicContact CD1-CG2 3.81Å; L1237-I1266 HydrophobicContact CD2-CD1 3.51Å; L1237-I1266 HydrophobicContact CD2-CG1 3.95Å; I1240-I1266 HydrophobicContact CD1-CB 4.46Å; I1240-I1266 HydrophobicContact CD1-CG1 3.66Å; I1240-I1266 HydrophobicContact CG2-CD1 4.46Å; I1240-I1266 HydrophobicContact CG2-CG1 4.12Å; F1241-I1266 HydrophobicContact CE1-CD1 4.5Å; T1262-I1266 WeakPolarHBondContact O-CD1 3.42Å; L1263-I1266 HydrophobicContact CD2-CD1 4.36Å; L1263-I1266 WeakPolarHBondContact O-CB 3.46Å; L1263-I1266 PolarHBondContact O-N 3.29Å; L1264-I1266 VanDerWaalsContact C-N 3.26Å; L1264-I1266 PolarHBondContact O-N 3.05Å; I1266-L1269 PolarHBondContact O-N 3.24Å; I1266-I1270 HydrophobicContact CG2-CD1 3.97Å; I1266-I1270 WeakPolarHBondContact O-CG1 3.46Å; I1266-I1270 PolarHBondContact O-N 2.66Å; I1266-I1270 VanDerWaalsContact O-N 3.08Å; I1266-L1313 HydrophobicContact CD1-CD1 4.16Å |
| 1267 | Y | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.8 | -26.7 | -177 | -77.6 | -70.5 | 0 | 0 | 0 | 113.5 | L1227 L1229 L1263 L1264 I1270 Q1271 L1278 V1281 A1284 I1285 C1288 | L1227-Y1267 WeakPolarHBondContact O-CE1 3.25Å; L1227-Y1267 PolarHBondContact O-OH 3.43Å; L1229-Y1267 WeakPolarHBondContact CD2-OH 3.25Å; L1263-Y1267 HydrophobicContact CB-CD2 4.46Å; L1263-Y1267 HydrophobicContact CD2-CE2 4.29Å; L1263-Y1267 WeakPolarHBondContact O-CD2 3.48Å; L1263-Y1267 PolarHBondContact O-N 3.46Å; L1264-Y1267 PolarHBondContact O-N 3.46Å; Y1267-I1270 HydrophobicContact CD1-CD1 3.87Å; Y1267-I1270 HydrophobicContact CE1-CD1 3.93Å; Y1267-Q1271 WeakPolarHBondContact O-CB 3.5Å; Y1267-Q1271 PolarHBondContact O-N 2.85Å; Y1267-L1278 HydrophobicContact CD1-CD2 3.86Å; Y1267-L1278 WeakPolarHBondContact O-CD2 3.45Å; Y1267-V1281 WeakPolarHBondContact O-CG2 3.26Å; Y1267-A1284 HydrophobicContact CD1-CB 3.54Å; Y1267-A1284 HydrophobicContact CE1-CB 3.62Å; Y1267-A1284 HydrophobicContact CG-CB 4.12Å; Y1267-I1285 HydrophobicContact CD2-CB 4.33Å; Y1267-I1285 HydrophobicContact CD2-CG1 3.61Å; Y1267-I1285 HydrophobicContact CG-CG1 4.03Å; Y1267-C1288 HydrophobicContact CE2-CB 3.69Å; Y1267-C1288 VanDerWaalsContact OH-CB 3.25Å; Y1267-C1288 WeakPolarHBondContact OH-CB 3.46Å; Y1267-C1288 PolarHBondContact OH-SG 3.47Å; Y1267-C1288 VanDerWaalsContact OH-SG 3.33Å |
| 1268 | E | 90.9 | Very high | 89.2 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 166.6 | -79.2 | -165.3 | -150.6 | 0 | 0 | 112.3 | L1264 Q1271 R1272 | L1264-E1268 HydrophobicContact CD1-CG 4.16Å; L1264-E1268 PolarHBondContact O-N 2.9Å; E1268-Q1271 PolarHBondContact O-N 2.92Å; E1268-R1272 WeakPolarHBondContact O-CD 3.31Å; E1268-R1272 WeakPolarHBondContact O-CG 3.44Å; E1268-R1272 PolarHBondContact O-N 3.05Å; E1268-R1272 IonicContact OE2-CZ 2.67Å; E1268-R1272 IonicContact OE2-NE 3.2Å; E1268-R1272 IonicContact OE2-NH2 3.15Å; E1268-R1272 PolarHBondContact OE2-NH2 2.93Å |
| 1269 | L | 92.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 176.4 | -178.1 | 62.4 | 0 | 0 | 0 | 110.9 | D1236 P1265 I1266 Q1271 R1272 E1273 | D1236-L1269 HydrophobicContact CB-CD2 3.78Å; P1265-L1269 WeakPolarHBondContact O-CB 3.34Å; P1265-L1269 PolarHBondContact O-N 3.4Å; I1266-L1269 PolarHBondContact O-N 3.24Å; L1269-Q1271 VanDerWaalsContact C-N 3.27Å; L1269-Q1271 PolarHBondContact O-N 3.25Å; L1269-R1272 PolarHBondContact O-N 3.43Å; L1269-E1273 PolarHBondContact O-N 3.39Å |
| 1270 | I | 92 | Very high | 89.1 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -42.1 | 176 | -63.9 | 163.8 | 0 | 0 | 0 | 110.8 | L1231 I1232 I1266 Y1267 N1274 L1278 | L1231-I1270 HydrophobicContact CB-CG2 3.96Å; L1231-I1270 HydrophobicContact CD1-CG2 3.99Å; I1232-I1270 HydrophobicContact CB-CD1 4.03Å; I1232-I1270 HydrophobicContact CB-CG1 4.04Å; I1232-I1270 HydrophobicContact CG2-CD1 4.26Å; I1266-I1270 HydrophobicContact CG2-CD1 3.97Å; I1266-I1270 WeakPolarHBondContact O-CG1 3.46Å; I1266-I1270 PolarHBondContact O-N 2.66Å; I1266-I1270 VanDerWaalsContact O-N 3.08Å; Y1267-I1270 HydrophobicContact CD1-CD1 3.87Å; Y1267-I1270 HydrophobicContact CE1-CD1 3.93Å; I1270-N1274 WeakPolarHBondContact O-CA 3.26Å; I1270-N1274 WeakPolarHBondContact O-CB 3.34Å; I1270-N1274 PolarHBondContact O-N 3.29Å; I1270-L1278 HydrophobicContact CB-CD2 3.99Å; I1270-L1278 HydrophobicContact CG2-CD2 3.7Å |
| 1271 | Q | 92.4 | Very high | 89.2 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 179.1 | -179.9 | 169.5 | 73.8 | 0 | 0 | 112.3 | Y1267 E1268 L1269 E1273 N1274 V1275 L1278 V1281 | Y1267-Q1271 WeakPolarHBondContact O-CB 3.5Å; Y1267-Q1271 PolarHBondContact O-N 2.85Å; E1268-Q1271 PolarHBondContact O-N 2.92Å; L1269-Q1271 VanDerWaalsContact C-N 3.27Å; L1269-Q1271 PolarHBondContact O-N 3.25Å; Q1271-E1273 PolarHBondContact O-N 3.37Å; Q1271-N1274 CarbonylContact O-C 3.52Å; Q1271-N1274 PolarHBondContact O-N 3.23Å; Q1271-V1275 WeakPolarHBondContact O-CA 3.46Å; Q1271-V1275 WeakPolarHBondContact O-CG2 3.47Å; Q1271-V1275 PolarHBondContact O-N 3.15Å; Q1271-L1278 HydrophobicContact CB-CD2 3.96Å; Q1271-L1278 HydrophobicContact CB-CG 4.15Å; Q1271-L1278 PolarHBondContact NE2-O 3.29Å; Q1271-V1281 HydrophobicContact CB-CG2 3.62Å; Q1271-V1281 HydrophobicContact CG-CG2 4.15Å |
| 1272 | R | 89.2 | Confident | 89.4 | Confident | 172 Ų | 172 | 58.4 Ų | 58.4 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.7 | -36.7 | -179.2 | -72 | 161.8 | -167.2 | -174.4 | 5.2 | 111.9 | E1268 L1269 | E1268-R1272 WeakPolarHBondContact O-CD 3.31Å; E1268-R1272 WeakPolarHBondContact O-CG 3.44Å; E1268-R1272 PolarHBondContact O-N 3.05Å; E1268-R1272 IonicContact OE2-CZ 2.67Å; E1268-R1272 IonicContact OE2-NE 3.2Å; E1268-R1272 IonicContact OE2-NH2 3.15Å; E1268-R1272 PolarHBondContact OE2-NH2 2.93Å; L1269-R1272 PolarHBondContact O-N 3.43Å |
| 1273 | E | 86.2 | Confident | 89.5 | Confident | 145 Ų | 145 | 60.7 Ų | 60.7 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -86.7 | -36.4 | 177.3 | -58.3 | -159.7 | 152.6 | 0 | 0 | 113.3 | L1269 Q1271 | L1269-E1273 PolarHBondContact O-N 3.39Å; Q1271-E1273 PolarHBondContact O-N 3.37Å |
| 1274 | N | 85.9 | Confident | 89.5 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | trans | -119.9 | 41.3 | -169.6 | -65.1 | -84.5 | 0 | 0 | 0 | 113.6 | L1231 I1270 Q1271 T1276 L1277 L1278 | L1231-N1274 HydrophobicContact CD1-CB 4Å; I1270-N1274 WeakPolarHBondContact O-CA 3.26Å; I1270-N1274 WeakPolarHBondContact O-CB 3.34Å; I1270-N1274 PolarHBondContact O-N 3.29Å; Q1271-N1274 CarbonylContact O-C 3.52Å; Q1271-N1274 PolarHBondContact O-N 3.23Å; N1274-T1276 PolarHBondContact O-N 2.9Å; N1274-L1277 HydrophobicContact CB-CB 4.41Å; N1274-L1277 HydrophobicContact CB-CD1 4.34Å; N1274-L1277 PolarHBondContact O-N 2.64Å; N1274-L1278 PolarHBondContact O-N 2.81Å | ||
| 1275 | V | 83 | Confident | 89.7 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 56% | 0.564 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -34.6 | -177.8 | -174.4 | 0 | 0 | 0 | 0 | 114 | Q1271 | Q1271-V1275 WeakPolarHBondContact O-CA 3.46Å; Q1271-V1275 WeakPolarHBondContact O-CG2 3.47Å; Q1271-V1275 PolarHBondContact O-N 3.15Å |
| 1276 | T | 83.1 | Confident | 89.8 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 74% | 0.742 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -25.7 | -179 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | N1274 | N1274-T1276 PolarHBondContact O-N 2.9Š|
| 1277 | L | 86.4 | Confident | 89.9 | Confident | 88 Ų | 88 | 57 Ų | 57 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -48.7 | -180 | -61 | 177.9 | 0 | 0 | 0 | 111.3 | Y1228 L1231 N1274 R1279 | Y1228-L1277 HydrophobicContact CE1-CB 4.12Å; Y1228-L1277 VanDerWaalsContact CE1-O 3.31Å; Y1228-L1277 WeakPolarHBondContact CE1-O 3.49Å; Y1228-L1277 PolarHBondContact OH-O 3.41Å; L1231-L1277 HydrophobicContact CD1-CB 4.49Å; L1231-L1277 HydrophobicContact CD1-CD1 3.88Å; L1231-L1277 HydrophobicContact CD2-CD1 4.31Å; N1274-L1277 HydrophobicContact CB-CB 4.41Å; N1274-L1277 HydrophobicContact CB-CD1 4.34Å; N1274-L1277 PolarHBondContact O-N 2.64Å; L1277-R1279 PolarHBondContact O-N 3.13Å |
| 1278 | L | 87.3 | Confident | 89.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -97.8 | 87.5 | -176.3 | 179.7 | 51.8 | 0 | 0 | 0 | 111.4 | Y1228 Y1267 I1270 Q1271 N1274 S1280 V1281 A1284 | Y1228-L1278 HydrophobicContact CD1-CB 4.48Å; Y1228-L1278 HydrophobicContact CD2-CD1 4.12Å; Y1228-L1278 HydrophobicContact CE1-CB 4.38Å; Y1228-L1278 HydrophobicContact CE2-CD1 3.95Å; Y1267-L1278 HydrophobicContact CD1-CD2 3.86Å; Y1267-L1278 WeakPolarHBondContact O-CD2 3.45Å; I1270-L1278 HydrophobicContact CB-CD2 3.99Å; I1270-L1278 HydrophobicContact CG2-CD2 3.7Å; Q1271-L1278 HydrophobicContact CB-CD2 3.96Å; Q1271-L1278 HydrophobicContact CB-CG 4.15Å; Q1271-L1278 PolarHBondContact NE2-O 3.29Å; N1274-L1278 PolarHBondContact O-N 2.81Å; L1278-S1280 WeakPolarHBondContact CD1-O 3.46Å; L1278-V1281 HydrophobicContact CD2-CG2 4.17Å; L1278-V1281 HydrophobicContact CG-CG2 4.32Å; L1278-A1284 HydrophobicContact CD1-CB 3.52Å | ||
| 1279 | R | 85.5 | Confident | 90.1 | Very high | 215 Ų | 215 | 53.8 Ų | 53.8 | 81% | 0.811 | 26% | 0.264 | S | S | * | . | trans | -81.4 | -24.9 | -177.8 | -62 | -174.7 | -175.6 | -175.1 | 1.4 | 114.8 | L1277 | L1277-R1279 PolarHBondContact O-N 3.13Š| ||
| 1280 | S | 89.2 | Confident | 90.2 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | trans | -135.9 | 104.4 | 179.4 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | L1278 L1283 A1284 | L1278-S1280 WeakPolarHBondContact CD1-O 3.46Å; S1280-L1283 PolarHBondContact O-N 2.86Å; S1280-L1283 PolarHBondContact OG-N 3.39Å; S1280-A1284 PolarHBondContact O-N 3.07Å | ||
| 1281 | V | 90.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 171 | 163.2 | 0 | 0 | 0 | 0 | 111.6 | L1264 Y1267 Q1271 L1278 L1283 A1284 I1285 | L1264-V1281 HydrophobicContact CD1-CG1 4.21Å; Y1267-V1281 WeakPolarHBondContact O-CG2 3.26Å; Q1271-V1281 HydrophobicContact CB-CG2 3.62Å; Q1271-V1281 HydrophobicContact CG-CG2 4.15Å; L1278-V1281 HydrophobicContact CD2-CG2 4.17Å; L1278-V1281 HydrophobicContact CG-CG2 4.32Å; V1281-L1283 VanDerWaalsContact C-N 3.34Å; V1281-L1283 PolarHBondContact O-N 3.4Å; V1281-A1284 PolarHBondContact O-N 3.39Å; V1281-A1284 VanDerWaalsContact O-N 3.16Å; V1281-I1285 HydrophobicContact CG1-CD1 3.49Å; V1281-I1285 VanDerWaalsContact CG1-CD1 3.49Å; V1281-I1285 HydrophobicContact CG1-CG1 4.17Å; V1281-I1285 WeakPolarHBondContact O-CG1 3.24Å; V1281-I1285 PolarHBondContact O-N 2.97Å |
| 1282 | P | 91.7 | Very high | 90.4 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.6 | -45.3 | 174.4 | -30.4 | 37.4 | 0 | 0 | 0 | 114.1 | F1160 L1161 A1284 D1286 | F1160-P1282 HydrophobicContact CD2-CG 4.5Å; L1161-P1282 HydrophobicContact CD2-CB 4.12Å; P1282-A1284 PolarHBondContact O-N 3.43Å; P1282-D1286 VanDerWaalsContact O-CB 3.3Å; P1282-D1286 WeakPolarHBondContact O-CB 3.26Å; P1282-D1286 PolarHBondContact O-N 2.91Å; P1282-D1286 VanDerWaalsContact O-N 3.08Å |
| 1283 | L | 92.9 | Very high | 90.6 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -41 | 177.9 | 173.4 | 61 | 0 | 0 | 0 | 112.4 | H1193 K1195 S1280 V1281 D1286 L1287 | H1193-L1283 WeakPolarHBondContact CE1-CD1 3.49Å; K1195-L1283 HydrophobicContact CB-CD1 4.48Å; S1280-L1283 PolarHBondContact O-N 2.86Å; S1280-L1283 PolarHBondContact OG-N 3.39Å; V1281-L1283 VanDerWaalsContact C-N 3.34Å; V1281-L1283 PolarHBondContact O-N 3.4Å; L1283-D1286 PolarHBondContact O-N 3.38Å; L1283-L1287 HydrophobicContact CD1-CD1 3.81Å; L1283-L1287 HydrophobicContact CD1-CG 3.91Å; L1283-L1287 HydrophobicContact CG-CD1 4Å; L1283-L1287 HydrophobicContact CG-CG 4.47Å; L1283-L1287 WeakPolarHBondContact O-CB 3.34Å; L1283-L1287 VanDerWaalsContact O-CG 3.28Å; L1283-L1287 WeakPolarHBondContact O-CG 3.47Å; L1283-L1287 PolarHBondContact O-N 3.26Å |
| 1284 | A | 93.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.2 | -39 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1228 Y1267 L1278 S1280 V1281 P1282 D1286 C1288 | Y1228-A1284 HydrophobicContact CD2-CB 4.12Å; Y1228-A1284 HydrophobicContact CE2-CB 4.42Å; Y1267-A1284 HydrophobicContact CD1-CB 3.54Å; Y1267-A1284 HydrophobicContact CE1-CB 3.62Å; Y1267-A1284 HydrophobicContact CG-CB 4.12Å; L1278-A1284 HydrophobicContact CD1-CB 3.52Å; S1280-A1284 PolarHBondContact O-N 3.07Å; V1281-A1284 PolarHBondContact O-N 3.39Å; V1281-A1284 VanDerWaalsContact O-N 3.16Å; P1282-A1284 PolarHBondContact O-N 3.43Å; A1284-D1286 VanDerWaalsContact C-N 3.34Å; A1284-C1288 VanDerWaalsContact O-CB 3.26Å; A1284-C1288 WeakPolarHBondContact O-CB 3.24Å; A1284-C1288 PolarHBondContact O-N 3.45Å |
| 1285 | I | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 170.6 | -67.2 | 163.7 | 0 | 0 | 0 | 109.8 | F1160 L1161 L1263 L1264 Y1267 V1281 C1288 L1289 | F1160-I1285 HydrophobicContact CE2-CD1 3.96Å; F1160-I1285 HydrophobicContact CZ-CD1 4.34Å; L1161-I1285 HydrophobicContact CD1-CG2 4.13Å; L1161-I1285 HydrophobicContact CD2-CB 3.99Å; L1161-I1285 HydrophobicContact CD2-CD1 4.21Å; L1161-I1285 HydrophobicContact CD2-CG2 3.89Å; L1263-I1285 HydrophobicContact CB-CG1 4.49Å; L1263-I1285 HydrophobicContact CB-CG2 4.04Å; L1263-I1285 HydrophobicContact CD1-CG2 4.4Å; L1264-I1285 HydrophobicContact CB-CD1 4.23Å; L1264-I1285 HydrophobicContact CD1-CD1 3.71Å; Y1267-I1285 HydrophobicContact CD2-CB 4.33Å; Y1267-I1285 HydrophobicContact CD2-CG1 3.61Å; Y1267-I1285 HydrophobicContact CG-CG1 4.03Å; V1281-I1285 HydrophobicContact CG1-CD1 3.49Å; V1281-I1285 VanDerWaalsContact CG1-CD1 3.49Å; V1281-I1285 HydrophobicContact CG1-CG1 4.17Å; V1281-I1285 WeakPolarHBondContact O-CG1 3.24Å; V1281-I1285 PolarHBondContact O-N 2.97Å; I1285-C1288 PolarHBondContact O-N 3.2Å; I1285-L1289 WeakPolarHBondContact O-CB 3.16Å; I1285-L1289 PolarHBondContact O-N 2.94Å |
| 1286 | D | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | -172.6 | -149.8 | 34.8 | 0 | 0 | 0 | 112.3 | S1164 R1171 Y1181 H1193 P1282 L1283 A1284 N1290 | S1164-D1286 WeakPolarHBondContact CB-OD2 3.17Å; S1164-D1286 PolarHBondContact OG-OD2 3.11Å; R1171-D1286 VanDerWaalsContact CD-OD2 3.27Å; R1171-D1286 WeakPolarHBondContact CD-OD2 3.2Å; R1171-D1286 IonicContact CZ-OD1 3.91Å; R1171-D1286 IonicContact CZ-OD2 3.42Å; R1171-D1286 IonicContact NE-OD1 3.45Å; R1171-D1286 PolarHBondContact NE-OD1 2.88Å; R1171-D1286 IonicContact NE-OD2 2.8Å; R1171-D1286 PolarHBondContact NE-OD2 3.03Å; R1171-D1286 IonicContact NH2-OD1 3.51Å; R1171-D1286 PolarHBondContact NH2-OD1 3.17Å; Y1181-D1286 WeakPolarHBondContact CE1-OD2 3.41Å; Y1181-D1286 VanDerWaalsContact OH-CG 3.29Å; Y1181-D1286 PolarHBondContact OH-OD1 3.06Å; Y1181-D1286 PolarHBondContact OH-OD2 2.77Å; Y1181-D1286 VanDerWaalsContact OH-OD2 3.06Å; H1193-D1286 IonicContact CD2-OD2 3.43Å; P1282-D1286 VanDerWaalsContact O-CB 3.3Å; P1282-D1286 WeakPolarHBondContact O-CB 3.26Å; P1282-D1286 PolarHBondContact O-N 2.91Å; P1282-D1286 VanDerWaalsContact O-N 3.08Å; L1283-D1286 PolarHBondContact O-N 3.38Å; A1284-D1286 VanDerWaalsContact C-N 3.34Å; D1286-N1290 WeakPolarHBondContact O-CB 3.41Å; D1286-N1290 PolarHBondContact O-N 3.33Å |
| 1287 | L | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 170.1 | -78.3 | 175.3 | 0 | 0 | 0 | 112.6 | H1193 K1195 M1196 I1199 L1227 L1283 N1290 W1291 | H1193-L1287 HydrophobicContact CB-CD2 4.16Å; K1195-L1287 HydrophobicContact CB-CD2 4.16Å; K1195-L1287 HydrophobicContact CG-CD1 4.29Å; M1196-L1287 HydrophobicContact CB-CD2 3.74Å; M1196-L1287 HydrophobicContact SD-CD2 4.48Å; I1199-L1287 HydrophobicContact CD1-CD1 4.15Å; I1199-L1287 HydrophobicContact CD1-CD2 4.19Å; L1227-L1287 HydrophobicContact CD2-CB 3.84Å; L1283-L1287 HydrophobicContact CD1-CD1 3.81Å; L1283-L1287 HydrophobicContact CD1-CG 3.91Å; L1283-L1287 HydrophobicContact CG-CD1 4Å; L1283-L1287 HydrophobicContact CG-CG 4.47Å; L1283-L1287 WeakPolarHBondContact O-CB 3.34Å; L1283-L1287 VanDerWaalsContact O-CG 3.28Å; L1283-L1287 WeakPolarHBondContact O-CG 3.47Å; L1283-L1287 PolarHBondContact O-N 3.26Å; L1287-N1290 PolarHBondContact O-N 3.08Å; L1287-W1291 PolarHBondContact O-N 3.12Å |
| 1288 | C | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 179.3 | -167 | 0 | 0 | 0 | 0 | 111.4 | Y1267 A1284 I1285 N1290 W1291 L1292 | Y1267-C1288 HydrophobicContact CE2-CB 3.69Å; Y1267-C1288 VanDerWaalsContact OH-CB 3.25Å; Y1267-C1288 WeakPolarHBondContact OH-CB 3.46Å; Y1267-C1288 PolarHBondContact OH-SG 3.47Å; Y1267-C1288 VanDerWaalsContact OH-SG 3.33Å; A1284-C1288 VanDerWaalsContact O-CB 3.26Å; A1284-C1288 WeakPolarHBondContact O-CB 3.24Å; A1284-C1288 PolarHBondContact O-N 3.45Å; I1285-C1288 PolarHBondContact O-N 3.2Å; C1288-N1290 VanDerWaalsContact C-N 3.34Å; C1288-N1290 PolarHBondContact O-N 3.31Å; C1288-W1291 PolarHBondContact O-N 3.23Å; C1288-L1292 VanDerWaalsContact O-CG 3.28Å; C1288-L1292 WeakPolarHBondContact O-CG 3.17Å; C1288-L1292 PolarHBondContact O-N 3.29Å |
| 1289 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 171.9 | 175.8 | 64 | 0 | 0 | 0 | 111.5 | P1179 V1256 M1259 V1260 L1263 I1285 W1291 L1292 L1293 | P1179-L1289 HydrophobicContact CG-CD2 3.95Å; V1256-L1289 HydrophobicContact CG1-CD1 4Å; V1256-L1289 HydrophobicContact CG1-CD2 3.72Å; V1256-L1289 HydrophobicContact CG1-CG 4.42Å; M1259-L1289 HydrophobicContact CB-CD1 4.1Å; M1259-L1289 HydrophobicContact SD-CD1 4.01Å; V1260-L1289 HydrophobicContact CG2-CD2 3.78Å; L1263-L1289 HydrophobicContact CD1-CB 4.08Å; I1285-L1289 WeakPolarHBondContact O-CB 3.16Å; I1285-L1289 PolarHBondContact O-N 2.94Å; L1289-W1291 VanDerWaalsContact C-N 3.34Å; L1289-W1291 PolarHBondContact O-N 3.48Å; L1289-L1292 PolarHBondContact O-N 2.97Å; L1289-L1293 HydrophobicContact CD1-CD1 3.95Å; L1289-L1293 HydrophobicContact CD1-CG 4.08Å; L1289-L1293 HydrophobicContact CG-CD1 3.99Å; L1289-L1293 HydrophobicContact CG-CG 4.49Å; L1289-L1293 WeakPolarHBondContact O-CG 3.25Å; L1289-L1293 PolarHBondContact O-N 3.42Å |
| 1290 | N | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 178.7 | -165.7 | -124.1 | 0 | 0 | 0 | 111.3 | W1191 D1192 H1193 D1286 L1287 C1288 N1294 | W1191-N1290 PolarHBondContact O-ND2 3.12Å; D1192-N1290 WeakPolarHBondContact CA-OD1 3.33Å; H1193-N1290 HydrophobicContact CB-CB 4.42Å; H1193-N1290 PolarHBondContact N-OD1 2.88Å; D1286-N1290 WeakPolarHBondContact O-CB 3.41Å; D1286-N1290 PolarHBondContact O-N 3.33Å; L1287-N1290 PolarHBondContact O-N 3.08Å; C1288-N1290 VanDerWaalsContact C-N 3.34Å; C1288-N1290 PolarHBondContact O-N 3.31Å; N1290-N1294 VanDerWaalsContact O-CB 3.29Å; N1290-N1294 WeakPolarHBondContact O-CB 3.35Å; N1290-N1294 PolarHBondContact O-N 3.37Å; N1290-N1294 PolarHBondContact O-OD1 3.47Å |
| 1291 | W | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 172.3 | 174.8 | 62.5 | 0 | 0 | 0 | 113.1 | M1196 L1227 L1229 L1287 C1288 L1289 L1293 N1294 V1295 A1312 L1316 V1354 F1357 | M1196-W1291 HydrophobicContact CE-CB 3.8Å; M1196-W1291 HydrophobicContact CE-CG 4.16Å; L1227-W1291 HydrophobicContact CD1-CB 3.94Å; L1227-W1291 HydrophobicContact CD1-CD2 3.78Å; L1227-W1291 HydrophobicContact CD1-CE3 3.83Å; L1227-W1291 HydrophobicContact CD1-CG 3.82Å; L1229-W1291 HydrophobicContact CD1-CZ3 4.44Å; L1287-W1291 PolarHBondContact O-N 3.12Å; C1288-W1291 PolarHBondContact O-N 3.23Å; L1289-W1291 VanDerWaalsContact C-N 3.34Å; L1289-W1291 PolarHBondContact O-N 3.48Å; W1291-L1293 PolarHBondContact O-N 2.86Å; W1291-N1294 PolarHBondContact O-N 2.7Å; W1291-V1295 HydrophobicContact CZ2-CG2 4.2Å; W1291-V1295 WeakPolarHBondContact O-CG2 3.42Å; W1291-V1295 PolarHBondContact O-N 2.95Å; W1291-V1295 VanDerWaalsContact O-N 3.1Å; W1291-A1312 HydrophobicContact CH2-CB 3.92Å; W1291-A1312 HydrophobicContact CZ3-CB 3.95Å; W1291-L1316 HydrophobicContact CE3-CD1 4.26Å; W1291-L1316 HydrophobicContact CH2-CD1 3.36Å; W1291-L1316 HydrophobicContact CH2-CG 3.89Å; W1291-L1316 HydrophobicContact CZ2-CD1 3.65Å; W1291-L1316 HydrophobicContact CZ2-CG 4.36Å; W1291-L1316 HydrophobicContact CZ3-CD1 3.71Å; W1291-L1316 HydrophobicContact CZ3-CG 4.45Å; W1291-V1354 HydrophobicContact CZ2-CG2 4.2Å; W1291-F1357 AromaticContact CD1-CE1 3.78Å; W1291-F1357 AromaticContact NE1-CD1 3.94Å |
| 1292 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 178.6 | -74.1 | 165.3 | 0 | 0 | 0 | 111.6 | L1263 C1288 L1289 N1294 V1295 Y1296 F1309 A1312 | L1263-L1292 HydrophobicContact CD1-CD1 4.13Å; L1263-L1292 HydrophobicContact CD2-CD1 4.42Å; C1288-L1292 VanDerWaalsContact O-CG 3.28Å; C1288-L1292 WeakPolarHBondContact O-CG 3.17Å; C1288-L1292 PolarHBondContact O-N 3.29Å; L1289-L1292 PolarHBondContact O-N 2.97Å; L1292-N1294 VanDerWaalsContact C-N 3.32Å; L1292-N1294 PolarHBondContact O-N 2.74Å; L1292-V1295 PolarHBondContact O-N 3.03Å; L1292-Y1296 PolarHBondContact O-N 3.4Å; L1292-F1309 HydrophobicContact CD1-CD2 3.88Å; L1292-F1309 HydrophobicContact CD1-CE2 3.71Å; L1292-A1312 HydrophobicContact CD2-CB 3.31Å |
| 1293 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 176.1 | -63.3 | 171.3 | 0 | 0 | 0 | 110.9 | V1178 P1179 M1259 L1289 W1291 V1295 D1297 | V1178-L1293 HydrophobicContact CG1-CD1 4.34Å; P1179-L1293 HydrophobicContact CG-CD1 4.37Å; M1259-L1293 HydrophobicContact CE-CD2 4.32Å; M1259-L1293 HydrophobicContact SD-CD2 4.48Å; L1289-L1293 HydrophobicContact CD1-CD1 3.95Å; L1289-L1293 HydrophobicContact CD1-CG 4.08Å; L1289-L1293 HydrophobicContact CG-CD1 3.99Å; L1289-L1293 HydrophobicContact CG-CG 4.49Å; L1289-L1293 WeakPolarHBondContact O-CG 3.25Å; L1289-L1293 PolarHBondContact O-N 3.42Å; W1291-L1293 PolarHBondContact O-N 2.86Å; L1293-V1295 PolarHBondContact O-N 3.46Å; L1293-D1297 HydrophobicContact CD2-CB 3.9Å; L1293-D1297 CarbonylContact O-C 3.56Å; L1293-D1297 VanDerWaalsContact O-CA 3.28Å; L1293-D1297 WeakPolarHBondContact O-CA 3.42Å; L1293-D1297 PolarHBondContact O-N 3.2Å |
| 1294 | N | 91.9 | Very high | 90.8 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.9 | -20.7 | 178 | -71.7 | 13 | 0 | 0 | 0 | 114.5 | D1192 N1290 W1291 L1292 R1300 F1357 | D1192-N1294 PolarHBondContact OD1-ND2 3.44Å; D1192-N1294 PolarHBondContact OD1-OD1 3.03Å; N1290-N1294 VanDerWaalsContact O-CB 3.29Å; N1290-N1294 WeakPolarHBondContact O-CB 3.35Å; N1290-N1294 PolarHBondContact O-N 3.37Å; N1290-N1294 PolarHBondContact O-OD1 3.47Å; W1291-N1294 PolarHBondContact O-N 2.7Å; L1292-N1294 VanDerWaalsContact C-N 3.32Å; L1292-N1294 PolarHBondContact O-N 2.74Å; N1294-R1300 PolarHBondContact OD1-NH1 2.76Å; N1294-R1300 PolarHBondContact OD1-NH2 2.72Å; N1294-F1357 HydrophobicContact CB-CD2 4.02Å; N1294-F1357 HydrophobicContact CB-CE2 3.68Å; N1294-F1357 HydrophobicContact CB-CZ 4.48Å |
| 1295 | V | 92.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -95.5 | -40.8 | 178 | 178.7 | 0 | 0 | 0 | 0 | 112 | W1291 L1292 L1293 Q1353 V1354 F1357 | W1291-V1295 HydrophobicContact CZ2-CG2 4.2Å; W1291-V1295 WeakPolarHBondContact O-CG2 3.42Å; W1291-V1295 PolarHBondContact O-N 2.95Å; W1291-V1295 VanDerWaalsContact O-N 3.1Å; L1292-V1295 PolarHBondContact O-N 3.03Å; L1293-V1295 PolarHBondContact O-N 3.46Å; V1295-Q1353 HydrophobicContact CG1-CB 3.54Å; V1295-V1354 HydrophobicContact CG1-CG2 3.92Å; V1295-F1357 HydrophobicContact CG2-CB 3.91Å; V1295-F1357 HydrophobicContact CG2-CD1 4.29Å; V1295-F1357 HydrophobicContact CG2-CD2 4.45Å; V1295-F1357 HydrophobicContact CG2-CG 3.95Å |
| 1296 | Y | 92.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -118.3 | -16.1 | -169.1 | -59.2 | -82.1 | 0 | 0 | 0 | 115.3 | L1292 P1298 C1308 A1312 E1350 Q1353 | L1292-Y1296 PolarHBondContact O-N 3.4Å; Y1296-P1298 VanDerWaalsContact C-CD 3.42Å; Y1296-C1308 HydrophobicContact CD1-CB 3.58Å; Y1296-C1308 HydrophobicContact CD2-CB 4.41Å; Y1296-C1308 HydrophobicContact CE1-CB 4.02Å; Y1296-C1308 HydrophobicContact CG-CB 3.79Å; Y1296-A1312 HydrophobicContact CD2-CB 4.45Å; Y1296-A1312 HydrophobicContact CE2-CB 3.56Å; Y1296-E1350 HydrophobicContact CE1-CB 4.11Å; Y1296-Q1353 HydrophobicContact CD1-CG 4.37Å; Y1296-Q1353 HydrophobicContact CE1-CB 4.31Å; Y1296-Q1353 HydrophobicContact CE1-CG 4.27Å |
| 1297 | D | 90 | Very high | 90 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | trans | -128.9 | 62.2 | 171.1 | -176.1 | 20.8 | 0 | 0 | 0 | 111.5 | L1293 T1299 R1300 C1301 G1302 I1304 | L1293-D1297 HydrophobicContact CD2-CB 3.9Å; L1293-D1297 CarbonylContact O-C 3.56Å; L1293-D1297 VanDerWaalsContact O-CA 3.28Å; L1293-D1297 WeakPolarHBondContact O-CA 3.42Å; L1293-D1297 PolarHBondContact O-N 3.2Å; D1297-T1299 PolarHBondContact O-N 3.06Å; D1297-T1299 PolarHBondContact OD1-OG1 3.23Å; D1297-R1300 PolarHBondContact O-N 2.9Å; D1297-R1300 VanDerWaalsContact O-N 3.14Å; D1297-R1300 WeakPolarHBondContact OD1-CA 3.25Å; D1297-R1300 PolarHBondContact OD1-N 3.26Å; D1297-R1300 VanDerWaalsContact OD2-C 3.27Å; D1297-R1300 VanDerWaalsContact OD2-CA 3.26Å; D1297-R1300 WeakPolarHBondContact OD2-CA 3.48Å; D1297-C1301 PolarHBondContact OD1-N 3.34Å; D1297-C1301 PolarHBondContact OD2-N 2.97Å; D1297-G1302 PolarHBondContact OD2-N 3.32Å; D1297-I1304 HydrophobicContact CB-CG2 3.71Å | ||
| 1298 | P | 85.1 | Confident | 89.9 | Confident | 91 Ų | 91 | 22.4 Ų | 22.4 | 59% | 0.591 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.6 | 175 | 29.9 | -36.4 | 0 | 0 | 0 | 112.3 | Y1296 | Y1296-P1298 VanDerWaalsContact C-CD 3.42Š|
| 1299 | T | 84.2 | Confident | 89.8 | Confident | 105 Ų | 105 | 22.4 Ų | 22.4 | 64% | 0.644 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -17.5 | 175.7 | 30.9 | 0 | 0 | 0 | 0 | 114.4 | D1297 C1301 | D1297-T1299 PolarHBondContact O-N 3.06Å; D1297-T1299 PolarHBondContact OD1-OG1 3.23Å; T1299-C1301 VanDerWaalsContact C-N 3.31Å; T1299-C1301 PolarHBondContact O-N 3.49Å; T1299-C1301 PolarHBondContact OG1-SG 3.49Å |
| 1300 | R | 87.4 | Confident | 89.6 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 13% | 0.125 | 13% | 0.131 | C | C | . | . | trans | 58.3 | 38.1 | -173.6 | -48.2 | -55.7 | -172.1 | -172.7 | 5 | 113.4 | N1176 V1178 W1191 D1192 N1294 D1297 G1302 | N1176-R1300 PolarHBondContact ND2-O 3.26Å; V1178-R1300 HydrophobicContact CG1-CB 4.29Å; W1191-R1300 HydrophobicContact CD2-CG 3.86Å; W1191-R1300 HydrophobicContact CE3-CG 4Å; W1191-R1300 HydrophobicContact CG-CG 4.25Å; W1191-R1300 HydrophobicContact CH2-CB 4.42Å; W1191-R1300 HydrophobicContact CZ2-CG 4.41Å; W1191-R1300 HydrophobicContact CZ3-CB 4.37Å; W1191-R1300 HydrophobicContact CZ3-CG 4.34Å; D1192-R1300 IonicContact OD1-NH2 3.38Å; D1192-R1300 PolarHBondContact OD1-NH2 3.19Å; N1294-R1300 PolarHBondContact OD1-NH1 2.76Å; N1294-R1300 PolarHBondContact OD1-NH2 2.72Å; D1297-R1300 PolarHBondContact O-N 2.9Å; D1297-R1300 VanDerWaalsContact O-N 3.14Å; D1297-R1300 WeakPolarHBondContact OD1-CA 3.25Å; D1297-R1300 PolarHBondContact OD1-N 3.26Å; D1297-R1300 VanDerWaalsContact OD2-C 3.27Å; D1297-R1300 VanDerWaalsContact OD2-CA 3.26Å; D1297-R1300 WeakPolarHBondContact OD2-CA 3.48Å; R1300-G1302 VanDerWaalsContact C-N 3.26Å; R1300-G1302 PolarHBondContact O-N 3.03Å | ||
| 1301 | C | 84.2 | Confident | 89.5 | Confident | 78 Ų | 78 | 22.3 Ų | 22.3 | 53% | 0.527 | 13% | 0.131 | S | C | . | . | trans | -64.6 | -23.5 | 173.2 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | N1176 D1297 T1299 | N1176-C1301 PolarHBondContact ND2-O 2.92Å; D1297-C1301 PolarHBondContact OD1-N 3.34Å; D1297-C1301 PolarHBondContact OD2-N 2.97Å; T1299-C1301 VanDerWaalsContact C-N 3.31Å; T1299-C1301 PolarHBondContact O-N 3.49Å; T1299-C1301 PolarHBondContact OG1-SG 3.49Å | ||
| 1302 | G | 81.6 | Confident | 89.4 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 5% | 0.052 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 85 | 10.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1256 D1297 R1300 | V1256-G1302 WeakPolarHBondContact CG2-O 3.46Å; V1256-G1302 PolarHBondContact N-O 2.93Å; D1297-G1302 PolarHBondContact OD2-N 3.32Å; R1300-G1302 VanDerWaalsContact C-N 3.26Å; R1300-G1302 PolarHBondContact O-N 3.03Å |
| 1303 | S | 86.7 | Confident | 89.3 | Confident | 38 Ų | 38 | 22.3 Ų | 22.3 | 27% | 0.266 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154 | 167.6 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | Q1253 M1254 | Q1253-S1303 PolarHBondContact OE1-OG 3.14Å; M1254-S1303 WeakPolarHBondContact O-CA 3.36Å; M1254-S1303 WeakPolarHBondContact O-CB 3.22Å |
| 1304 | I | 89.3 | Confident | 89.4 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.1 | 167.1 | 66.2 | -178.8 | 0 | 0 | 0 | 109.1 | Q1253 M1254 M1259 D1297 A1306 C1308 F1309 | Q1253-I1304 VanDerWaalsContact OE1-C 3.32Å; M1254-I1304 PolarHBondContact N-O 2.98Å; M1254-I1304 PolarHBondContact O-N 2.95Å; M1254-I1304 VanDerWaalsContact O-N 3.13Å; M1259-I1304 HydrophobicContact CE-CB 4.49Å; M1259-I1304 HydrophobicContact CE-CD1 4.38Å; M1259-I1304 HydrophobicContact CE-CG1 3.78Å; M1259-I1304 HydrophobicContact SD-CD1 3.93Å; M1259-I1304 HydrophobicContact SD-CG1 3.95Å; D1297-I1304 HydrophobicContact CB-CG2 3.71Å; I1304-A1306 PolarHBondContact O-N 3.5Å; I1304-C1308 HydrophobicContact CB-CB 4.42Å; I1304-C1308 HydrophobicContact CD1-CB 4.34Å; I1304-F1309 HydrophobicContact CD1-CB 3.97Å; I1304-F1309 HydrophobicContact CD1-CD2 4.35Å; I1304-F1309 HydrophobicContact CG1-CB 4.36Å |
| 1305 | R | 88.4 | Confident | 89.4 | Confident | 42 Ų | 42 | 21.2 Ų | 21.2 | 16% | 0.158 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 140.5 | 173.1 | -72.1 | -179.9 | -76.8 | 125.2 | 2.9 | 110.7 | D1252 L1307 C1308 F1309 E1350 | D1252-R1305 WeakPolarHBondContact O-CA 3.49Å; R1305-L1307 PolarHBondContact O-N 3.42Å; R1305-L1307 VanDerWaalsContact O-N 3.11Å; R1305-C1308 WeakPolarHBondContact O-CB 3.41Å; R1305-C1308 PolarHBondContact O-N 3.28Å; R1305-F1309 PolarHBondContact O-N 2.77Å; R1305-E1350 IonicContact CZ-OE1 2.7Å; R1305-E1350 IonicContact NH1-OE1 3.42Å; R1305-E1350 PolarHBondContact NH1-OE1 3.06Å; R1305-E1350 IonicContact NH2-OE1 3.74Å; R1305-E1350 PolarHBondContact NH2-OE1 2.95Å; R1305-E1350 IonicContact NH2-OE2 2.61Å |
| 1306 | A | 87.5 | Confident | 89.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -31.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1249 D1252 M1254 I1304 K1310 | V1249-A1306 HydrophobicContact CB-CB 4.32Å; V1249-A1306 HydrophobicContact CG1-CB 3.77Å; D1252-A1306 PolarHBondContact O-N 3.11Å; M1254-A1306 HydrophobicContact CG-CB 4.04Å; M1254-A1306 HydrophobicContact SD-CB 4.04Å; I1304-A1306 PolarHBondContact O-N 3.5Å; A1306-K1310 WeakPolarHBondContact O-CE 3.44Å; A1306-K1310 WeakPolarHBondContact O-CG 3.43Å; A1306-K1310 PolarHBondContact O-N 2.77Å; A1306-K1310 VanDerWaalsContact O-N 3.13Å |
| 1307 | L | 88.2 | Confident | 89.5 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 171 | -178.9 | 63.2 | 0 | 0 | 0 | 112.6 | T1250 R1305 K1310 V1311 Q1331 V1332 L1346 | T1250-L1307 WeakPolarHBondContact O-CB 3.29Å; T1250-L1307 PolarHBondContact O-N 3.11Å; R1305-L1307 PolarHBondContact O-N 3.42Å; R1305-L1307 VanDerWaalsContact O-N 3.11Å; L1307-K1310 PolarHBondContact O-N 2.86Å; L1307-V1311 HydrophobicContact CD1-CG2 3.91Å; L1307-V1311 HydrophobicContact CG-CG2 4.25Å; L1307-V1311 WeakPolarHBondContact O-CB 3.48Å; L1307-V1311 VanDerWaalsContact O-CG2 3.23Å; L1307-V1311 WeakPolarHBondContact O-CG2 3.41Å; L1307-V1311 PolarHBondContact O-N 2.89Å; L1307-Q1331 HydrophobicContact CD1-CB 3.98Å; L1307-V1332 HydrophobicContact CD1-CG1 4.04Å; L1307-V1332 HydrophobicContact CD2-CG1 3.92Å; L1307-L1346 HydrophobicContact CD2-CD2 3.85Å; L1307-L1346 HydrophobicContact CD2-CG 4.18Å |
| 1308 | C | 91.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | -178.4 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | Y1296 I1304 R1305 K1310 V1311 A1312 E1350 | Y1296-C1308 HydrophobicContact CD1-CB 3.58Å; Y1296-C1308 HydrophobicContact CD2-CB 4.41Å; Y1296-C1308 HydrophobicContact CE1-CB 4.02Å; Y1296-C1308 HydrophobicContact CG-CB 3.79Å; I1304-C1308 HydrophobicContact CB-CB 4.42Å; I1304-C1308 HydrophobicContact CD1-CB 4.34Å; R1305-C1308 WeakPolarHBondContact O-CB 3.41Å; R1305-C1308 PolarHBondContact O-N 3.28Å; C1308-K1310 PolarHBondContact O-N 2.92Å; C1308-V1311 PolarHBondContact O-N 3.46Å; C1308-A1312 WeakPolarHBondContact O-CB 2.96Å; C1308-A1312 PolarHBondContact O-N 3.36Å; C1308-E1350 PolarHBondContact SG-OE2 3.12Å |
| 1309 | F | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 176.7 | -175.5 | -95.5 | 0 | 0 | 0 | 111.8 | F1241 L1246 M1254 M1259 T1262 L1263 L1292 I1304 R1305 L1313 | F1241-F1309 HydrophobicContact CE1-CD1 4.36Å; F1241-F1309 AromaticContact CE1-CE1 3.89Å; F1241-F1309 HydrophobicContact CE1-CE1 3.89Å; L1246-F1309 HydrophobicContact CD1-CE1 4.42Å; M1254-F1309 HydrophobicContact CE-CD1 4.05Å; M1254-F1309 HydrophobicContact CE-CD2 4.45Å; M1254-F1309 HydrophobicContact CE-CE1 4.17Å; M1254-F1309 HydrophobicContact CE-CG 4.2Å; M1254-F1309 HydrophobicContact CE-CZ 4.42Å; M1254-F1309 HydrophobicContact SD-CB 3.96Å; M1254-F1309 HydrophobicContact SD-CD1 3.97Å; M1254-F1309 HydrophobicContact SD-CG 3.95Å; M1259-F1309 HydrophobicContact CB-CD2 4.36Å; M1259-F1309 HydrophobicContact CB-CE2 3.88Å; M1259-F1309 HydrophobicContact CG-CD2 3.79Å; M1259-F1309 HydrophobicContact CG-CE2 3.84Å; M1259-F1309 HydrophobicContact SD-CD2 4.24Å; T1262-F1309 HydrophobicContact CG2-CE1 3.67Å; T1262-F1309 HydrophobicContact CG2-CZ 3.93Å; L1263-F1309 HydrophobicContact CD1-CE2 4.47Å; L1263-F1309 HydrophobicContact CD2-CE2 4.3Å; L1263-F1309 HydrophobicContact CD2-CZ 4.05Å; L1263-F1309 HydrophobicContact CG-CE2 4.17Å; L1263-F1309 HydrophobicContact CG-CZ 4.04Å; L1292-F1309 HydrophobicContact CD1-CD2 3.88Å; L1292-F1309 HydrophobicContact CD1-CE2 3.71Å; I1304-F1309 HydrophobicContact CD1-CB 3.97Å; I1304-F1309 HydrophobicContact CD1-CD2 4.35Å; I1304-F1309 HydrophobicContact CG1-CB 4.36Å; R1305-F1309 PolarHBondContact O-N 2.77Å; F1309-L1313 HydrophobicContact CD1-CD1 4.12Å; F1309-L1313 HydrophobicContact CE1-CD1 3.62Å; F1309-L1313 HydrophobicContact CE2-CD1 4.39Å; F1309-L1313 HydrophobicContact CZ-CD1 3.77Å; F1309-L1313 PolarHBondContact O-N 3.39Å |
| 1310 | K | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 178.8 | -72 | -178.7 | -71.1 | 178 | 0 | 112.8 | F1241 L1246 Q1247 V1249 A1306 L1307 C1308 A1312 I1314 | F1241-K1310 HydrophobicContact CD2-CD 4.19Å; F1241-K1310 HydrophobicContact CD2-CG 3.96Å; F1241-K1310 HydrophobicContact CE2-CB 4.3Å; F1241-K1310 HydrophobicContact CE2-CG 3.87Å; F1241-K1310 HydrophobicContact CG-CG 4.39Å; F1241-K1310 HydrophobicContact CZ-CG 4.23Å; L1246-K1310 WeakPolarHBondContact O-CE 3.4Å; L1246-K1310 PolarHBondContact O-NZ 2.91Å; Q1247-K1310 PolarHBondContact O-NZ 3.02Å; V1249-K1310 WeakPolarHBondContact O-CE 3.41Å; V1249-K1310 PolarHBondContact O-NZ 3.43Å; A1306-K1310 WeakPolarHBondContact O-CE 3.44Å; A1306-K1310 WeakPolarHBondContact O-CG 3.43Å; A1306-K1310 PolarHBondContact O-N 2.77Å; A1306-K1310 VanDerWaalsContact O-N 3.13Å; L1307-K1310 PolarHBondContact O-N 2.86Å; C1308-K1310 PolarHBondContact O-N 2.92Å; K1310-A1312 VanDerWaalsContact C-N 3.32Å; K1310-A1312 PolarHBondContact O-N 3.37Å; K1310-I1314 WeakPolarHBondContact O-CB 3Å; K1310-I1314 WeakPolarHBondContact O-CG1 3.26Å; K1310-I1314 PolarHBondContact O-N 3.16Å; K1310-I1314 VanDerWaalsContact O-N 3.14Å |
| 1311 | V | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.9 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | L1307 C1308 I1314 L1315 L1328 L1347 E1350 | L1307-V1311 HydrophobicContact CD1-CG2 3.91Å; L1307-V1311 HydrophobicContact CG-CG2 4.25Å; L1307-V1311 WeakPolarHBondContact O-CB 3.48Å; L1307-V1311 VanDerWaalsContact O-CG2 3.23Å; L1307-V1311 WeakPolarHBondContact O-CG2 3.41Å; L1307-V1311 PolarHBondContact O-N 2.89Å; C1308-V1311 PolarHBondContact O-N 3.46Å; V1311-I1314 PolarHBondContact O-N 3.24Å; V1311-L1315 HydrophobicContact CG1-CD1 3.78Å; V1311-L1315 HydrophobicContact CG1-CG 4.34Å; V1311-L1315 WeakPolarHBondContact O-CB 3.37Å; V1311-L1315 VanDerWaalsContact O-CG 3.25Å; V1311-L1315 WeakPolarHBondContact O-CG 3.38Å; V1311-L1315 PolarHBondContact O-N 2.95Å; V1311-L1328 HydrophobicContact CB-CD2 4.23Å; V1311-L1328 HydrophobicContact CG1-CD2 4.01Å; V1311-L1328 HydrophobicContact CG2-CD2 3.89Å; V1311-L1347 HydrophobicContact CG2-CD1 4.17Å; V1311-E1350 HydrophobicContact CG1-CB 4.14Å |
| 1312 | A | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -50.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1291 L1292 Y1296 C1308 K1310 L1315 L1316 | W1291-A1312 HydrophobicContact CH2-CB 3.92Å; W1291-A1312 HydrophobicContact CZ3-CB 3.95Å; L1292-A1312 HydrophobicContact CD2-CB 3.31Å; Y1296-A1312 HydrophobicContact CD2-CB 4.45Å; Y1296-A1312 HydrophobicContact CE2-CB 3.56Å; C1308-A1312 WeakPolarHBondContact O-CB 2.96Å; C1308-A1312 PolarHBondContact O-N 3.36Å; K1310-A1312 VanDerWaalsContact C-N 3.32Å; K1310-A1312 PolarHBondContact O-N 3.37Å; A1312-L1315 PolarHBondContact O-N 2.94Å; A1312-L1316 PolarHBondContact O-N 3.47Å |
| 1313 | L | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | -178.6 | -65.9 | 174 | 0 | 0 | 0 | 111.5 | L1229 L1237 F1241 L1263 I1266 F1309 L1315 L1316 C1317 | L1229-L1313 HydrophobicContact CD1-CD2 4.22Å; L1229-L1313 HydrophobicContact CD2-CD2 4.03Å; L1237-L1313 HydrophobicContact CD1-CB 4.31Å; L1237-L1313 HydrophobicContact CD2-CB 4.47Å; L1237-L1313 HydrophobicContact CD2-CD1 4.45Å; F1241-L1313 HydrophobicContact CE1-CD1 3.98Å; F1241-L1313 HydrophobicContact CZ-CB 4.34Å; F1241-L1313 HydrophobicContact CZ-CD1 3.87Å; L1263-L1313 HydrophobicContact CD2-CD1 4.28Å; L1263-L1313 HydrophobicContact CD2-CD2 4.29Å; I1266-L1313 HydrophobicContact CD1-CD1 4.16Å; F1309-L1313 HydrophobicContact CD1-CD1 4.12Å; F1309-L1313 HydrophobicContact CE1-CD1 3.62Å; F1309-L1313 HydrophobicContact CE2-CD1 4.39Å; F1309-L1313 HydrophobicContact CZ-CD1 3.77Å; F1309-L1313 PolarHBondContact O-N 3.39Å; L1313-L1315 PolarHBondContact O-N 3.2Å; L1313-L1316 CarbonylContact O-C 3.52Å; L1313-L1316 PolarHBondContact O-N 2.99Å; L1313-C1317 PolarHBondContact O-N 3.25Å |
| 1314 | I | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71 | -30.4 | 179.7 | -63.2 | -77.2 | 0 | 0 | 0 | 112.3 | I1234 L1237 F1241 K1310 V1311 L1316 C1317 K1324 Y1327 L1328 | I1234-I1314 HydrophobicContact CD1-CD1 4.04Å; I1234-I1314 HydrophobicContact CD1-CG2 4.18Å; I1234-I1314 HydrophobicContact CG1-CD1 3.75Å; L1237-I1314 HydrophobicContact CB-CD1 4.47Å; L1237-I1314 HydrophobicContact CD1-CD1 4.19Å; F1241-I1314 HydrophobicContact CE2-CD1 4.41Å; F1241-I1314 HydrophobicContact CE2-CG1 4.42Å; K1310-I1314 WeakPolarHBondContact O-CB 3Å; K1310-I1314 WeakPolarHBondContact O-CG1 3.26Å; K1310-I1314 PolarHBondContact O-N 3.16Å; K1310-I1314 VanDerWaalsContact O-N 3.14Å; V1311-I1314 PolarHBondContact O-N 3.24Å; I1314-L1316 VanDerWaalsContact C-N 3.3Å; I1314-L1316 PolarHBondContact O-N 3.28Å; I1314-C1317 PolarHBondContact O-SG 3.24Å; I1314-C1317 VanDerWaalsContact O-SG 3.36Å; I1314-K1324 HydrophobicContact CG2-CB 4.48Å; I1314-K1324 HydrophobicContact CG2-CG 4.41Å; I1314-K1324 VanDerWaalsContact O-CD 3.27Å; I1314-K1324 WeakPolarHBondContact O-CD 3.05Å; I1314-K1324 WeakPolarHBondContact O-CE 3.42Å; I1314-Y1327 HydrophobicContact CB-CD1 4.21Å; I1314-Y1327 HydrophobicContact CB-CE1 4.5Å; I1314-Y1327 HydrophobicContact CD1-CD1 3.99Å; I1314-Y1327 HydrophobicContact CD1-CE1 3.98Å; I1314-Y1327 HydrophobicContact CD1-CG 4.33Å; I1314-Y1327 HydrophobicContact CG1-CD1 3.72Å; I1314-Y1327 HydrophobicContact CG1-CE1 3.62Å; I1314-Y1327 HydrophobicContact CG2-CD1 3.83Å; I1314-Y1327 HydrophobicContact CG2-CG 4.32Å; I1314-L1328 HydrophobicContact CG2-CD2 4.44Å; I1314-L1328 HydrophobicContact CG2-CG 4.47Å |
| 1315 | L | 93.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 171.2 | -76.2 | 168.9 | 0 | 0 | 0 | 111.4 | V1311 A1312 L1313 K1324 L1328 V1354 W1404 L1405 | V1311-L1315 HydrophobicContact CG1-CD1 3.78Å; V1311-L1315 HydrophobicContact CG1-CG 4.34Å; V1311-L1315 WeakPolarHBondContact O-CB 3.37Å; V1311-L1315 VanDerWaalsContact O-CG 3.25Å; V1311-L1315 WeakPolarHBondContact O-CG 3.38Å; V1311-L1315 PolarHBondContact O-N 2.95Å; A1312-L1315 PolarHBondContact O-N 2.94Å; L1313-L1315 PolarHBondContact O-N 3.2Å; L1315-K1324 PolarHBondContact O-NZ 3.35Å; L1315-L1328 HydrophobicContact CD2-CD1 3.98Å; L1315-V1354 HydrophobicContact CD1-CG2 4.37Å; L1315-W1404 HydrophobicContact CD1-CH2 4.41Å; L1315-W1404 HydrophobicContact CD2-CH2 4.16Å; L1315-L1405 HydrophobicContact CD2-CD1 4.44Å; L1315-L1405 HydrophobicContact CD2-CD2 3.78Å |
| 1316 | L | 93.4 | Very high | 92 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -100.4 | -8 | -175.3 | -67.1 | -168.8 | 0 | 0 | 0 | 116.5 | Q1224 L1227 L1229 W1291 A1312 L1313 I1314 M1408 | Q1224-L1316 HydrophobicContact CB-CD2 4.43Å; Q1224-L1316 HydrophobicContact CG-CB 4.34Å; Q1224-L1316 HydrophobicContact CG-CD2 4.43Å; Q1224-L1316 WeakPolarHBondContact CG-O 3.38Å; Q1224-L1316 PolarHBondContact NE2-O 3.31Å; L1227-L1316 HydrophobicContact CD1-CD1 4.37Å; L1229-L1316 CarbonylContact C-O 3.57Å; L1229-L1316 HydrophobicContact CB-CB 4.03Å; L1229-L1316 HydrophobicContact CD1-CB 3.73Å; L1229-L1316 HydrophobicContact CD1-CD1 3.92Å; L1229-L1316 HydrophobicContact CD1-CG 4.47Å; W1291-L1316 HydrophobicContact CE3-CD1 4.26Å; W1291-L1316 HydrophobicContact CH2-CD1 3.36Å; W1291-L1316 HydrophobicContact CH2-CG 3.89Å; W1291-L1316 HydrophobicContact CZ2-CD1 3.65Å; W1291-L1316 HydrophobicContact CZ2-CG 4.36Å; W1291-L1316 HydrophobicContact CZ3-CD1 3.71Å; W1291-L1316 HydrophobicContact CZ3-CG 4.45Å; A1312-L1316 PolarHBondContact O-N 3.47Å; L1313-L1316 CarbonylContact O-C 3.52Å; L1313-L1316 PolarHBondContact O-N 2.99Å; I1314-L1316 VanDerWaalsContact C-N 3.3Å; I1314-L1316 PolarHBondContact O-N 3.28Å; L1316-M1408 HydrophobicContact CD2-CE 4.15Å |
| 1317 | C | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -61.8 | 169.5 | 175.2 | 72.3 | 0 | 0 | 0 | 0 | 113 | Q1224 L1229 I1232 L1237 L1313 I1314 K1324 | Q1224-C1317 PolarHBondContact NE2-O 2.85Å; L1229-C1317 CarbonylContact O-C 3.55Å; L1229-C1317 VanDerWaalsContact O-CA 3.29Å; L1229-C1317 WeakPolarHBondContact O-CA 3.31Å; I1232-C1317 HydrophobicContact CG2-CB 4.45Å; L1237-C1317 HydrophobicContact CD1-CB 3.56Å; L1313-C1317 PolarHBondContact O-N 3.25Å; I1314-C1317 PolarHBondContact O-SG 3.24Å; I1314-C1317 VanDerWaalsContact O-SG 3.36Å; C1317-K1324 VanDerWaalsContact O-CE 3.26Å; C1317-K1324 WeakPolarHBondContact O-CE 3.28Å; C1317-K1324 PolarHBondContact O-NZ 3.49Å; C1317-K1324 VanDerWaalsContact SG-CE 3.53Å |
| 1318 | D | 92.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 20.5 Ų | 20.5 | 29% | 0.294 | 11% | 0.107 | S | C | . | . | B | Isolated β-bridge | trans | -86 | 125.1 | 161.9 | -172.6 | 39.7 | 0 | 0 | 0 | 110.4 | L1229 I1232 Q1233 I1234 | L1229-D1318 PolarHBondContact O-N 3.14Å; I1232-D1318 PolarHBondContact O-N 3.22Å; Q1233-D1318 WeakPolarHBondContact CA-O 3.49Å; Q1233-D1318 PolarHBondContact NE2-OD2 3.19Å; I1234-D1318 PolarHBondContact N-O 2.83Å |
| 1319 | A | 92.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -174.5 | 152.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1234 I1321 K1324 H1409 | I1234-A1319 HydrophobicContact CB-CB 3.85Å; I1234-A1319 HydrophobicContact CD1-CB 4.49Å; I1234-A1319 HydrophobicContact CG2-CB 3.82Å; A1319-I1321 PolarHBondContact O-N 3.4Å; A1319-K1324 HydrophobicContact CB-CG 4.08Å; A1319-H1409 PolarHBondContact O-NE2 2.72Å |
| 1320 | P | 91.4 | Very high | 92 | Very high | 68 Ų | 68 | 22.6 Ų | 22.6 | 44% | 0.442 | 12% | 0.118 | S | C | . | . | trans | -50.5 | 132.6 | 164.2 | -26 | 34.2 | 0 | 0 | 0 | 112.3 | A1322 E1323 K1324 | P1320-A1322 PolarHBondContact O-N 3.25Å; P1320-E1323 VanDerWaalsContact CD-OE2 3.27Å; P1320-E1323 WeakPolarHBondContact CD-OE2 3.32Å; P1320-E1323 WeakPolarHBondContact CG-OE2 3.34Å; P1320-E1323 PolarHBondContact O-N 3.14Å; P1320-K1324 PolarHBondContact O-N 3.37Å | ||
| 1321 | I | 90.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 23.4 Ų | 23.4 | 23% | 0.226 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.1 | -29.5 | -177.1 | -161.8 | 176.9 | 0 | 0 | 0 | 113.2 | A1319 E1323 Y1325 L1405 A1406 H1409 | A1319-I1321 PolarHBondContact O-N 3.4Å; I1321-E1323 VanDerWaalsContact C-N 3.35Å; I1321-E1323 PolarHBondContact O-N 3.4Å; I1321-Y1325 HydrophobicContact CD1-CE1 4.5Å; I1321-Y1325 HydrophobicContact CD1-CE2 3.74Å; I1321-Y1325 WeakPolarHBondContact CD1-OH 3.48Å; I1321-Y1325 HydrophobicContact CG1-CD2 4.07Å; I1321-Y1325 HydrophobicContact CG1-CE1 4.33Å; I1321-Y1325 HydrophobicContact CG1-CE2 3.64Å; I1321-Y1325 WeakPolarHBondContact O-CB 3.2Å; I1321-Y1325 VanDerWaalsContact O-CD2 3.28Å; I1321-Y1325 WeakPolarHBondContact O-CD2 3.38Å; I1321-Y1325 VanDerWaalsContact O-CG 3.26Å; I1321-Y1325 PolarHBondContact O-N 3.26Å; I1321-L1405 HydrophobicContact CD1-CG 4.28Å; I1321-A1406 HydrophobicContact CD1-CB 4.28Å; I1321-H1409 HydrophobicContact CB-CB 4.39Å; I1321-H1409 HydrophobicContact CD1-CB 4.21Å |
| 1322 | A | 91.2 | Very high | 91.4 | Very high | 40 Ų | 40 | 23.8 Ų | 23.8 | 33% | 0.331 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -69 | -28.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1320 R1326 F1392 | P1320-A1322 PolarHBondContact O-N 3.25Å; A1322-R1326 WeakPolarHBondContact O-CB 3.49Å; A1322-R1326 PolarHBondContact O-N 3Å; A1322-R1326 VanDerWaalsContact O-N 3.15Å; A1322-F1392 HydrophobicContact CB-CE1 4.15Å; A1322-F1392 VanDerWaalsContact O-CZ 3.3Å; A1322-F1392 WeakPolarHBondContact O-CZ 3.44Å |
| 1323 | E | 92.5 | Very high | 91 | Very high | 79 Ų | 79 | 24.3 Ų | 24.3 | 37% | 0.369 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -78 | -41.6 | 175.1 | -79.2 | 141.8 | -138 | 0 | 0 | 111.1 | P1320 I1321 Y1325 R1326 Y1327 | P1320-E1323 VanDerWaalsContact CD-OE2 3.27Å; P1320-E1323 WeakPolarHBondContact CD-OE2 3.32Å; P1320-E1323 WeakPolarHBondContact CG-OE2 3.34Å; P1320-E1323 PolarHBondContact O-N 3.14Å; I1321-E1323 VanDerWaalsContact C-N 3.35Å; I1321-E1323 PolarHBondContact O-N 3.4Å; E1323-Y1325 PolarHBondContact O-N 3.17Å; E1323-R1326 PolarHBondContact O-N 3.41Å; E1323-R1326 VanDerWaalsContact O-N 3.13Å; E1323-Y1327 PolarHBondContact O-N 3.26Å |
| 1324 | K | 92.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.2 | -51 | 169.3 | -64.9 | -174 | 172.4 | -172.6 | 0 | 111.6 | I1314 L1315 C1317 A1319 P1320 R1326 Y1327 L1328 H1409 | I1314-K1324 HydrophobicContact CG2-CB 4.48Å; I1314-K1324 HydrophobicContact CG2-CG 4.41Å; I1314-K1324 VanDerWaalsContact O-CD 3.27Å; I1314-K1324 WeakPolarHBondContact O-CD 3.05Å; I1314-K1324 WeakPolarHBondContact O-CE 3.42Å; L1315-K1324 PolarHBondContact O-NZ 3.35Å; C1317-K1324 VanDerWaalsContact O-CE 3.26Å; C1317-K1324 WeakPolarHBondContact O-CE 3.28Å; C1317-K1324 PolarHBondContact O-NZ 3.49Å; C1317-K1324 VanDerWaalsContact SG-CE 3.53Å; A1319-K1324 HydrophobicContact CB-CG 4.08Å; P1320-K1324 PolarHBondContact O-N 3.37Å; K1324-R1326 VanDerWaalsContact C-N 3.3Å; K1324-R1326 PolarHBondContact O-N 3.12Å; K1324-Y1327 PolarHBondContact O-N 3.37Å; K1324-L1328 WeakPolarHBondContact O-CB 3.46Å; K1324-L1328 VanDerWaalsContact O-CG 3.24Å; K1324-L1328 WeakPolarHBondContact O-CG 3.32Å; K1324-L1328 PolarHBondContact O-N 3.05Å; K1324-H1409 WeakPolarHBondContact CE-NE2 3.24Å; K1324-H1409 PolarHBondContact NZ-NE2 2.86Å |
| 1325 | Y | 92.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -36.9 | 177.1 | -70.6 | -34.1 | 0 | 0 | 0 | 113.3 | I1321 E1323 F1329 F1392 L1395 I1402 L1405 | I1321-Y1325 HydrophobicContact CD1-CE1 4.5Å; I1321-Y1325 HydrophobicContact CD1-CE2 3.74Å; I1321-Y1325 WeakPolarHBondContact CD1-OH 3.48Å; I1321-Y1325 HydrophobicContact CG1-CD2 4.07Å; I1321-Y1325 HydrophobicContact CG1-CE1 4.33Å; I1321-Y1325 HydrophobicContact CG1-CE2 3.64Å; I1321-Y1325 WeakPolarHBondContact O-CB 3.2Å; I1321-Y1325 VanDerWaalsContact O-CD2 3.28Å; I1321-Y1325 WeakPolarHBondContact O-CD2 3.38Å; I1321-Y1325 VanDerWaalsContact O-CG 3.26Å; I1321-Y1325 PolarHBondContact O-N 3.26Å; E1323-Y1325 PolarHBondContact O-N 3.17Å; Y1325-F1329 PolarHBondContact O-N 2.88Å; Y1325-F1329 VanDerWaalsContact O-N 3.14Å; Y1325-F1392 HydrophobicContact CD2-CE1 4.28Å; Y1325-L1395 HydrophobicContact CD1-CD1 3.58Å; Y1325-L1395 HydrophobicContact CD1-CD2 4.46Å; Y1325-L1395 HydrophobicContact CD2-CB 4.47Å; Y1325-L1395 HydrophobicContact CD2-CD1 3.8Å; Y1325-L1395 HydrophobicContact CE1-CD1 3.88Å; Y1325-L1395 HydrophobicContact CE1-CD2 3.97Å; Y1325-L1395 HydrophobicContact CE1-CG 4.45Å; Y1325-L1395 HydrophobicContact CE2-CB 4.14Å; Y1325-L1395 HydrophobicContact CE2-CD1 4.08Å; Y1325-L1395 HydrophobicContact CG-CD1 3.53Å; Y1325-I1402 HydrophobicContact CE1-CD1 4.25Å; Y1325-L1405 HydrophobicContact CE1-CD2 3.9Å |
| 1326 | R | 92.4 | Very high | 87.4 | Confident | 103 Ų | 103 | 41.1 Ų | 41.1 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68 | -44.5 | 175.4 | -173.9 | -179.5 | -59.5 | 108.6 | 4.3 | 112.3 | A1322 E1323 K1324 F1329 N1330 L1388 F1392 | A1322-R1326 WeakPolarHBondContact O-CB 3.49Å; A1322-R1326 PolarHBondContact O-N 3Å; A1322-R1326 VanDerWaalsContact O-N 3.15Å; E1323-R1326 PolarHBondContact O-N 3.41Å; E1323-R1326 VanDerWaalsContact O-N 3.13Å; K1324-R1326 VanDerWaalsContact C-N 3.3Å; K1324-R1326 PolarHBondContact O-N 3.12Å; R1326-F1329 PolarHBondContact O-N 3.02Å; R1326-N1330 WeakPolarHBondContact O-CB 3.49Å; R1326-N1330 PolarHBondContact O-N 3.27Å; R1326-N1330 PolarHBondContact O-OD1 3.29Å; R1326-L1388 HydrophobicContact CG-CD1 4.45Å; R1326-L1388 HydrophobicContact CG-CD2 4.1Å; R1326-F1392 HydrophobicContact CB-CZ 4.23Å |
| 1327 | Y | 90.7 | Very high | 86.7 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 178.4 | -173.7 | -89.7 | 0 | 0 | 0 | 111.2 | I1238 Q1247 I1314 E1323 K1324 F1329 N1330 Q1331 | I1238-Y1327 HydrophobicContact CD1-CD2 3.74Å; I1238-Y1327 HydrophobicContact CD1-CE2 3.78Å; I1238-Y1327 HydrophobicContact CG1-CD2 4.15Å; I1238-Y1327 HydrophobicContact CG1-CE2 3.67Å; Q1247-Y1327 PolarHBondContact OE1-OH 3.12Å; I1314-Y1327 HydrophobicContact CB-CD1 4.21Å; I1314-Y1327 HydrophobicContact CB-CE1 4.5Å; I1314-Y1327 HydrophobicContact CD1-CD1 3.99Å; I1314-Y1327 HydrophobicContact CD1-CE1 3.98Å; I1314-Y1327 HydrophobicContact CD1-CG 4.33Å; I1314-Y1327 HydrophobicContact CG1-CD1 3.72Å; I1314-Y1327 HydrophobicContact CG1-CE1 3.62Å; I1314-Y1327 HydrophobicContact CG2-CD1 3.83Å; I1314-Y1327 HydrophobicContact CG2-CG 4.32Å; E1323-Y1327 PolarHBondContact O-N 3.26Å; K1324-Y1327 PolarHBondContact O-N 3.37Å; Y1327-F1329 VanDerWaalsContact C-N 3.34Å; Y1327-F1329 PolarHBondContact O-N 2.85Å; Y1327-N1330 PolarHBondContact O-N 2.92Å; Y1327-N1330 VanDerWaalsContact O-N 3.09Å; Y1327-Q1331 HydrophobicContact CD1-CG 3.8Å; Y1327-Q1331 HydrophobicContact CE1-CG 3.37Å; Y1327-Q1331 HydrophobicContact CE2-CG 4.49Å; Y1327-Q1331 VanDerWaalsContact CZ-NE2 3.27Å; Y1327-Q1331 WeakPolarHBondContact O-CG 3.42Å; Y1327-Q1331 PolarHBondContact O-N 3.4Å; Y1327-Q1331 PolarHBondContact OH-NE2 3.47Å; Y1327-Q1331 VanDerWaalsContact OH-NE2 3.1Å |
| 1328 | L | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 178.4 | -68.4 | 172.7 | 0 | 0 | 0 | 112 | V1311 I1314 L1315 K1324 V1332 L1347 | V1311-L1328 HydrophobicContact CB-CD2 4.23Å; V1311-L1328 HydrophobicContact CG1-CD2 4.01Å; V1311-L1328 HydrophobicContact CG2-CD2 3.89Å; I1314-L1328 HydrophobicContact CG2-CD2 4.44Å; I1314-L1328 HydrophobicContact CG2-CG 4.47Å; L1315-L1328 HydrophobicContact CD2-CD1 3.98Å; K1324-L1328 WeakPolarHBondContact O-CB 3.46Å; K1324-L1328 VanDerWaalsContact O-CG 3.24Å; K1324-L1328 WeakPolarHBondContact O-CG 3.32Å; K1324-L1328 PolarHBondContact O-N 3.05Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.41Å; L1328-L1347 HydrophobicContact CB-CD1 4.07Å; L1328-L1347 HydrophobicContact CB-CD2 4.15Å; L1328-L1347 HydrophobicContact CD2-CD1 4.12Å |
| 1329 | F | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 172.2 | -179.6 | -87.3 | 0 | 0 | 0 | 111.8 | Y1325 R1326 Y1327 Q1331 V1332 S1333 L1339 L1388 Y1391 | Y1325-F1329 PolarHBondContact O-N 2.88Å; Y1325-F1329 VanDerWaalsContact O-N 3.14Å; R1326-F1329 PolarHBondContact O-N 3.02Å; Y1327-F1329 VanDerWaalsContact C-N 3.34Å; Y1327-F1329 PolarHBondContact O-N 2.85Å; F1329-Q1331 VanDerWaalsContact C-N 3.29Å; F1329-Q1331 PolarHBondContact O-N 3.42Å; F1329-V1332 PolarHBondContact O-N 3.47Å; F1329-S1333 VanDerWaalsContact O-CB 3.27Å; F1329-S1333 WeakPolarHBondContact O-CB 3.4Å; F1329-S1333 PolarHBondContact O-N 2.84Å; F1329-S1333 PolarHBondContact O-OG 3.13Å; F1329-L1339 HydrophobicContact CD2-CB 4.34Å; F1329-L1339 HydrophobicContact CD2-CD2 3.94Å; F1329-L1339 HydrophobicContact CE2-CB 3.63Å; F1329-L1339 HydrophobicContact CE2-CD2 4.03Å; F1329-L1339 HydrophobicContact CE2-CG 4.49Å; F1329-L1339 HydrophobicContact CZ-CB 4.01Å; F1329-L1388 HydrophobicContact CB-CD1 3.77Å; F1329-L1388 HydrophobicContact CD1-CB 4.07Å; F1329-L1388 HydrophobicContact CD1-CD1 3.72Å; F1329-L1388 HydrophobicContact CD1-CG 4.42Å; F1329-L1388 HydrophobicContact CD2-CD1 4.26Å; F1329-L1388 HydrophobicContact CE1-CB 3.86Å; F1329-L1388 HydrophobicContact CE1-CD1 4.38Å; F1329-L1388 HydrophobicContact CG-CD1 3.65Å; F1329-L1388 HydrophobicContact CZ-CB 4.12Å; F1329-L1388 VanDerWaalsContact CZ-N 3.35Å; F1329-Y1391 HydrophobicContact CB-CD1 3.92Å; F1329-Y1391 HydrophobicContact CB-CE1 3.87Å; F1329-Y1391 AromaticContact CD2-CD1 3.64Å; F1329-Y1391 HydrophobicContact CD2-CD1 3.64Å; F1329-Y1391 HydrophobicContact CD2-CE1 4.23Å; F1329-Y1391 AromaticContact CD2-CG 3.8Å; F1329-Y1391 HydrophobicContact CD2-CG 3.8Å; F1329-Y1391 HydrophobicContact CE2-CG 4.42Å; F1329-Y1391 HydrophobicContact CG-CD1 4.16Å |
| 1330 | N | 89 | Confident | 85.8 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -35.2 | -175.7 | -75.3 | -3.6 | 0 | 0 | 0 | 113.1 | R1326 Y1327 V1332 S1333 | R1326-N1330 WeakPolarHBondContact O-CB 3.49Å; R1326-N1330 PolarHBondContact O-N 3.27Å; R1326-N1330 PolarHBondContact O-OD1 3.29Å; Y1327-N1330 PolarHBondContact O-N 2.92Å; Y1327-N1330 VanDerWaalsContact O-N 3.09Å; N1330-V1332 VanDerWaalsContact C-N 3.33Å; N1330-V1332 PolarHBondContact O-N 2.81Å; N1330-S1333 WeakPolarHBondContact CA-OG 3Å; N1330-S1333 PolarHBondContact O-OG 3.07Å |
| 1331 | Q | 85.2 | Confident | 85.7 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -27.2 | -179.8 | -72.5 | -64.3 | -48.5 | 0 | 0 | 113.9 | T1250 L1307 Y1327 F1329 | T1250-Q1331 WeakPolarHBondContact CG2-O 3.49Å; L1307-Q1331 HydrophobicContact CD1-CB 3.98Å; Y1327-Q1331 HydrophobicContact CD1-CG 3.8Å; Y1327-Q1331 HydrophobicContact CE1-CG 3.37Å; Y1327-Q1331 HydrophobicContact CE2-CG 4.49Å; Y1327-Q1331 VanDerWaalsContact CZ-NE2 3.27Å; Y1327-Q1331 WeakPolarHBondContact O-CG 3.42Å; Y1327-Q1331 PolarHBondContact O-N 3.4Å; Y1327-Q1331 PolarHBondContact OH-NE2 3.47Å; Y1327-Q1331 VanDerWaalsContact OH-NE2 3.1Å; F1329-Q1331 VanDerWaalsContact C-N 3.29Å; F1329-Q1331 PolarHBondContact O-N 3.42Å |
| 1332 | V | 84.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -108.9 | -16.2 | 178.3 | -71.8 | 0 | 0 | 0 | 0 | 114.1 | L1307 L1328 F1329 N1330 L1339 K1343 L1347 | L1307-V1332 HydrophobicContact CD1-CG1 4.04Å; L1307-V1332 HydrophobicContact CD2-CG1 3.92Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.41Å; F1329-V1332 PolarHBondContact O-N 3.47Å; N1330-V1332 VanDerWaalsContact C-N 3.33Å; N1330-V1332 PolarHBondContact O-N 2.81Å; V1332-L1339 HydrophobicContact CB-CD1 3.84Å; V1332-L1339 HydrophobicContact CG2-CD1 3.49Å; V1332-L1339 VanDerWaalsContact CG2-CD1 3.49Å; V1332-L1339 HydrophobicContact CG2-CD2 4.13Å; V1332-L1339 HydrophobicContact CG2-CG 4.49Å; V1332-L1339 WeakPolarHBondContact O-CD1 3.42Å; V1332-K1343 HydrophobicContact CB-CB 4.26Å; V1332-K1343 WeakPolarHBondContact O-CD 3.36Å; V1332-L1347 HydrophobicContact CG1-CB 4.1Å; V1332-L1347 HydrophobicContact CG2-CB 3.83Å; V1332-L1347 HydrophobicContact CG2-CD2 3.84Å; V1332-L1347 HydrophobicContact CG2-CG 4.28Å |
| 1333 | S | 83.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -70.1 | 140.4 | 179.6 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | F1329 N1330 N1335 K1336 S1338 | F1329-S1333 VanDerWaalsContact O-CB 3.27Å; F1329-S1333 WeakPolarHBondContact O-CB 3.4Å; F1329-S1333 PolarHBondContact O-N 2.84Å; F1329-S1333 PolarHBondContact O-OG 3.13Å; N1330-S1333 WeakPolarHBondContact CA-OG 3Å; N1330-S1333 PolarHBondContact O-OG 3.07Å; S1333-N1335 PolarHBondContact O-N 3.45Å; S1333-K1336 PolarHBondContact O-N 2.98Å; S1333-K1336 VanDerWaalsContact OG-CA 3.25Å; S1333-K1336 WeakPolarHBondContact OG-CA 3.34Å; S1333-S1338 CarbonylContact C-O 3.58Å; S1333-S1338 WeakPolarHBondContact CA-O 3.33Å; S1333-S1338 VanDerWaalsContact CB-O 3.24Å; S1333-S1338 WeakPolarHBondContact CB-O 3.35Å |
| 1334 | Y | 70.1 | Confident | 85.1 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -61.6 | 129.6 | 169.3 | -71.4 | -88.3 | 0 | 0 | 0 | 110 | K1336 R1337 S1338 D1340 K1343 | Y1334-K1336 PolarHBondContact O-N 2.8Å; Y1334-R1337 PolarHBondContact O-N 2.81Å; Y1334-S1338 PolarHBondContact N-O 2.9Å; Y1334-S1338 PolarHBondContact O-N 3.49Å; Y1334-D1340 HydrophobicContact CE2-CB 4.35Å; Y1334-K1343 HydrophobicContact CD2-CD 4.23Å; Y1334-K1343 HydrophobicContact CE2-CD 3.79Å; Y1334-K1343 HydrophobicContact CE2-CG 4.47Å; Y1334-K1343 VanDerWaalsContact CZ-NZ 3.31Å; Y1334-K1343 WeakPolarHBondContact OH-CE 3.36Å |
| 1335 | N | 67.2 | Low | 84.9 | Confident | 149 Ų | 149 | 55.4 Ų | 55.4 | 80% | 0.797 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 31.2 | 178.9 | -65.5 | -31.2 | 0 | 0 | 0 | 114.7 | S1333 R1337 | S1333-N1335 PolarHBondContact O-N 3.45Å; N1335-R1337 VanDerWaalsContact C-N 3.26Å; N1335-R1337 WeakPolarHBondContact O-CG 3.39Å; N1335-R1337 PolarHBondContact O-N 2.86Å |
| 1336 | K | 69 | Low | 84.7 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 34.3 | -178.9 | -63 | 170.2 | -174.9 | 171 | 0 | 113.2 | D1248 S1333 Y1334 | D1248-K1336 WeakPolarHBondContact OD1-CE 3.45Å; D1248-K1336 IonicContact OD1-NZ 3.9Å; D1248-K1336 PolarHBondContact OD1-NZ 3.18Å; D1248-K1336 IonicContact OD2-NZ 2.67Å; S1333-K1336 PolarHBondContact O-N 2.98Å; S1333-K1336 VanDerWaalsContact OG-CA 3.25Å; S1333-K1336 WeakPolarHBondContact OG-CA 3.34Å; Y1334-K1336 PolarHBondContact O-N 2.8Å |
| 1337 | R | 78.7 | Confident | 84.6 | Confident | 196 Ų | 196 | 52.2 Ų | 52.2 | 74% | 0.74 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -48.7 | -173.7 | -74.2 | 175.9 | -174.5 | -160.4 | 1.6 | 115.4 | Y1334 N1335 | Y1334-R1337 PolarHBondContact O-N 2.81Å; N1335-R1337 VanDerWaalsContact C-N 3.26Å; N1335-R1337 WeakPolarHBondContact O-CG 3.39Å; N1335-R1337 PolarHBondContact O-N 2.86Å |
| 1338 | S | 84.8 | Confident | 84.5 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 152.6 | -169.7 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | S1333 Y1334 E1385 I1386 | S1333-S1338 CarbonylContact C-O 3.58Å; S1333-S1338 WeakPolarHBondContact CA-O 3.33Å; S1333-S1338 VanDerWaalsContact CB-O 3.24Å; S1333-S1338 WeakPolarHBondContact CB-O 3.35Å; Y1334-S1338 PolarHBondContact N-O 2.9Å; Y1334-S1338 PolarHBondContact O-N 3.49Å; S1338-E1385 WeakPolarHBondContact CB-OE2 3.27Å; S1338-E1385 PolarHBondContact OG-OE2 3.22Å; S1338-I1386 WeakPolarHBondContact CA-O 3.24Å |
| 1339 | L | 86.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.1 | -169.3 | -172 | 66.8 | 0 | 0 | 0 | 110.4 | F1329 V1332 K1343 L1344 E1385 I1386 | F1329-L1339 HydrophobicContact CD2-CB 4.34Å; F1329-L1339 HydrophobicContact CD2-CD2 3.94Å; F1329-L1339 HydrophobicContact CE2-CB 3.63Å; F1329-L1339 HydrophobicContact CE2-CD2 4.03Å; F1329-L1339 HydrophobicContact CE2-CG 4.49Å; F1329-L1339 HydrophobicContact CZ-CB 4.01Å; V1332-L1339 HydrophobicContact CB-CD1 3.84Å; V1332-L1339 HydrophobicContact CG2-CD1 3.49Å; V1332-L1339 VanDerWaalsContact CG2-CD1 3.49Å; V1332-L1339 HydrophobicContact CG2-CD2 4.13Å; V1332-L1339 HydrophobicContact CG2-CG 4.49Å; V1332-L1339 WeakPolarHBondContact O-CD1 3.42Å; L1339-K1343 HydrophobicContact CD1-CB 3.53Å; L1339-L1344 HydrophobicContact CD2-CB 3.82Å; L1339-L1344 HydrophobicContact CD2-CD1 3.89Å; L1339-L1344 HydrophobicContact CD2-CG 4.44Å; L1339-L1344 HydrophobicContact CG-CB 4.07Å; L1339-E1385 CarbonylContact O-C 3.52Å; L1339-E1385 VanDerWaalsContact O-CA 3.28Å; L1339-E1385 WeakPolarHBondContact O-CA 3.31Å; L1339-I1386 HydrophobicContact CB-CG1 4.01Å; L1339-I1386 HydrophobicContact CD2-CD1 4.46Å; L1339-I1386 PolarHBondContact N-O 2.8Å; L1339-I1386 WeakPolarHBondContact O-CG1 3.46Å; L1339-I1386 PolarHBondContact O-N 3.23Å |
| 1340 | D | 88.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 178.3 | 177.4 | 80 | -47.9 | 0 | 0 | 0 | 111.6 | Y1334 K1342 K1343 L1344 | Y1334-D1340 HydrophobicContact CE2-CB 4.35Å; D1340-K1342 PolarHBondContact O-N 2.58Å; D1340-K1342 VanDerWaalsContact OD2-CB 3.24Å; D1340-K1342 WeakPolarHBondContact OD2-CB 3.42Å; D1340-K1342 PolarHBondContact OD2-N 3.43Å; D1340-K1342 VanDerWaalsContact OD2-N 3.11Å; D1340-K1343 WeakPolarHBondContact OD1-CB 3.28Å; D1340-K1343 VanDerWaalsContact OD1-CG 3.25Å; D1340-K1343 WeakPolarHBondContact OD1-CG 3.29Å; D1340-K1343 PolarHBondContact OD1-N 2.89Å; D1340-L1344 WeakPolarHBondContact O-CB 3.36Å; D1340-L1344 PolarHBondContact O-N 3.14Å |
| 1341 | Q | 88.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 178.7 | -66.6 | -179.5 | 14.6 | 0 | 0 | 111.9 | A1345 V1373 F1377 | Q1341-A1345 VanDerWaalsContact O-CB 3.25Å; Q1341-A1345 WeakPolarHBondContact O-CB 3.32Å; Q1341-A1345 PolarHBondContact O-N 3.23Å; Q1341-V1373 HydrophobicContact CB-CG1 4.13Å; Q1341-V1373 HydrophobicContact CG-CG1 4.34Å; Q1341-F1377 HydrophobicContact CB-CE2 4.35Å; Q1341-F1377 HydrophobicContact CB-CZ 4.32Å; Q1341-F1377 HydrophobicContact CG-CD1 3.78Å; Q1341-F1377 HydrophobicContact CG-CD2 3.84Å; Q1341-F1377 HydrophobicContact CG-CE1 3.57Å; Q1341-F1377 HydrophobicContact CG-CE2 3.63Å; Q1341-F1377 HydrophobicContact CG-CG 3.92Å; Q1341-F1377 HydrophobicContact CG-CZ 3.5Å |
| 1342 | K | 86.6 | Confident | 84.7 | Confident | 168 Ų | 168 | 50.5 Ų | 50.5 | 73% | 0.73 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.3 | -42.3 | -177.6 | -170.7 | -178.5 | 177.4 | -176.5 | 0 | 111.9 | D1340 A1345 L1346 | D1340-K1342 PolarHBondContact O-N 2.58Å; D1340-K1342 VanDerWaalsContact OD2-CB 3.24Å; D1340-K1342 WeakPolarHBondContact OD2-CB 3.42Å; D1340-K1342 PolarHBondContact OD2-N 3.43Å; D1340-K1342 VanDerWaalsContact OD2-N 3.11Å; K1342-A1345 WeakPolarHBondContact O-CB 3.11Å; K1342-A1345 PolarHBondContact O-N 2.59Å; K1342-L1346 PolarHBondContact O-N 2.89Å |
| 1343 | K | 87 | Confident | 84.9 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -81.7 | -27.1 | -179.6 | -64.9 | -169 | -175.7 | 177.7 | 0 | 113.7 | V1332 Y1334 L1339 D1340 A1345 L1347 | V1332-K1343 HydrophobicContact CB-CB 4.26Å; V1332-K1343 WeakPolarHBondContact O-CD 3.36Å; Y1334-K1343 HydrophobicContact CD2-CD 4.23Å; Y1334-K1343 HydrophobicContact CE2-CD 3.79Å; Y1334-K1343 HydrophobicContact CE2-CG 4.47Å; Y1334-K1343 VanDerWaalsContact CZ-NZ 3.31Å; Y1334-K1343 WeakPolarHBondContact OH-CE 3.36Å; L1339-K1343 HydrophobicContact CD1-CB 3.53Å; D1340-K1343 WeakPolarHBondContact OD1-CB 3.28Å; D1340-K1343 VanDerWaalsContact OD1-CG 3.25Å; D1340-K1343 WeakPolarHBondContact OD1-CG 3.29Å; D1340-K1343 PolarHBondContact OD1-N 2.89Å; K1343-A1345 VanDerWaalsContact C-N 3.31Å; K1343-L1347 PolarHBondContact O-N 3.05Å; K1343-L1347 VanDerWaalsContact O-N 3.11Å |
| 1344 | L | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 163.6 | 179 | 63.2 | 0 | 0 | 0 | 110.6 | L1339 D1340 L1347 L1348 V1373 C1376 F1377 I1386 Y1391 | L1339-L1344 HydrophobicContact CD2-CB 3.82Å; L1339-L1344 HydrophobicContact CD2-CD1 3.89Å; L1339-L1344 HydrophobicContact CD2-CG 4.44Å; L1339-L1344 HydrophobicContact CG-CB 4.07Å; D1340-L1344 WeakPolarHBondContact O-CB 3.36Å; D1340-L1344 PolarHBondContact O-N 3.14Å; L1344-L1347 PolarHBondContact O-N 3.44Å; L1344-L1348 HydrophobicContact CD1-CD1 4.11Å; L1344-L1348 HydrophobicContact CD1-CG 4.14Å; L1344-L1348 HydrophobicContact CG-CD1 4Å; L1344-L1348 HydrophobicContact CG-CG 4.41Å; L1344-L1348 WeakPolarHBondContact O-CG 3.18Å; L1344-L1348 PolarHBondContact O-N 3.48Å; L1344-V1373 HydrophobicContact CD2-CG1 4.32Å; L1344-C1376 HydrophobicContact CD2-CB 3.72Å; L1344-F1377 HydrophobicContact CB-CE2 4.38Å; L1344-F1377 HydrophobicContact CD2-CD2 4.05Å; L1344-F1377 HydrophobicContact CD2-CE2 3.73Å; L1344-I1386 HydrophobicContact CD2-CD1 3.94Å; L1344-Y1391 HydrophobicContact CD1-CD2 4.24Å; L1344-Y1391 HydrophobicContact CD1-CE2 3.8Å |
| 1345 | A | 87.7 | Confident | 86.2 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1341 K1342 K1343 L1347 L1348 H1349 I1369 V1373 | Q1341-A1345 VanDerWaalsContact O-CB 3.25Å; Q1341-A1345 WeakPolarHBondContact O-CB 3.32Å; Q1341-A1345 PolarHBondContact O-N 3.23Å; K1342-A1345 WeakPolarHBondContact O-CB 3.11Å; K1342-A1345 PolarHBondContact O-N 2.59Å; K1343-A1345 VanDerWaalsContact C-N 3.31Å; A1345-L1347 PolarHBondContact O-N 3.33Å; A1345-L1348 PolarHBondContact O-N 2.97Å; A1345-H1349 WeakPolarHBondContact O-CB 3.39Å; A1345-H1349 PolarHBondContact O-N 2.79Å; A1345-I1369 HydrophobicContact CB-CD1 3.75Å; A1345-I1369 WeakPolarHBondContact O-CD1 3.28Å; A1345-V1373 HydrophobicContact CB-CG2 3.92Å |
| 1346 | L | 87.5 | Confident | 87.3 | Confident | 46 Ų | 46 | 43 Ų | 43 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.8 | -51.9 | 176.1 | -166.9 | 65.3 | 0 | 0 | 0 | 111.9 | L1307 K1342 L1348 H1349 E1350 | L1307-L1346 HydrophobicContact CD2-CD2 3.85Å; L1307-L1346 HydrophobicContact CD2-CG 4.18Å; K1342-L1346 PolarHBondContact O-N 2.89Å; L1346-L1348 PolarHBondContact O-N 2.81Å; L1346-H1349 WeakPolarHBondContact O-CB 3.09Å; L1346-H1349 PolarHBondContact O-N 3.13Å; L1346-H1349 VanDerWaalsContact O-N 3.14Å; L1346-E1350 WeakPolarHBondContact O-CG 3.5Å; L1346-E1350 PolarHBondContact O-N 3.41Å |
| 1347 | L | 89.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 178.5 | 177.7 | 64.6 | 0 | 0 | 0 | 113.2 | V1311 L1328 V1332 K1343 L1344 A1345 H1349 E1350 C1351 | V1311-L1347 HydrophobicContact CG2-CD1 4.17Å; L1328-L1347 HydrophobicContact CB-CD1 4.07Å; L1328-L1347 HydrophobicContact CB-CD2 4.15Å; L1328-L1347 HydrophobicContact CD2-CD1 4.12Å; V1332-L1347 HydrophobicContact CG1-CB 4.1Å; V1332-L1347 HydrophobicContact CG2-CB 3.83Å; V1332-L1347 HydrophobicContact CG2-CD2 3.84Å; V1332-L1347 HydrophobicContact CG2-CG 4.28Å; K1343-L1347 PolarHBondContact O-N 3.05Å; K1343-L1347 VanDerWaalsContact O-N 3.11Å; L1344-L1347 PolarHBondContact O-N 3.44Å; A1345-L1347 PolarHBondContact O-N 3.33Å; L1347-H1349 VanDerWaalsContact C-N 3.31Å; L1347-E1350 PolarHBondContact O-N 3.15Å; L1347-C1351 PolarHBondContact O-N 3.07Å; L1347-C1351 VanDerWaalsContact O-N 3.08Å; L1347-C1351 PolarHBondContact O-SG 3.46Å |
| 1348 | L | 89.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.5 | -32.5 | 178.2 | -70.2 | 176.8 | 0 | 0 | 0 | 111.5 | L1344 A1345 L1346 C1351 M1352 I1369 V1373 W1394 | L1344-L1348 HydrophobicContact CD1-CD1 4.11Å; L1344-L1348 HydrophobicContact CD1-CG 4.14Å; L1344-L1348 HydrophobicContact CG-CD1 4Å; L1344-L1348 HydrophobicContact CG-CG 4.41Å; L1344-L1348 WeakPolarHBondContact O-CG 3.18Å; L1344-L1348 PolarHBondContact O-N 3.48Å; A1345-L1348 PolarHBondContact O-N 2.97Å; L1346-L1348 PolarHBondContact O-N 2.81Å; L1348-C1351 PolarHBondContact O-N 3.05Å; L1348-M1352 WeakPolarHBondContact O-CB 3.43Å; L1348-M1352 WeakPolarHBondContact O-CG 3.36Å; L1348-M1352 PolarHBondContact O-N 3.01Å; L1348-I1369 HydrophobicContact CB-CB 4.19Å; L1348-I1369 HydrophobicContact CB-CD1 4.29Å; L1348-I1369 HydrophobicContact CB-CG2 3.98Å; L1348-V1373 HydrophobicContact CD1-CG2 3.96Å; L1348-W1394 HydrophobicContact CD1-CH2 4.19Å; L1348-W1394 HydrophobicContact CD2-CH2 4.26Å |
| 1349 | H | 88.5 | Confident | 89 | Confident | 35 Ų | 35 | 34.3 Ų | 34.3 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 174.9 | -172.2 | -116.3 | 0 | 0 | 0 | 111.2 | A1345 L1346 L1347 M1352 Q1353 I1369 E1517 | A1345-H1349 WeakPolarHBondContact O-CB 3.39Å; A1345-H1349 PolarHBondContact O-N 2.79Å; L1346-H1349 WeakPolarHBondContact O-CB 3.09Å; L1346-H1349 PolarHBondContact O-N 3.13Å; L1346-H1349 VanDerWaalsContact O-N 3.14Å; L1347-H1349 VanDerWaalsContact C-N 3.31Å; H1349-M1352 PolarHBondContact O-N 3.37Å; H1349-Q1353 PolarHBondContact CD2-NE2 3.5Å; H1349-Q1353 PolarHBondContact CE1-NE2 2.87Å; H1349-Q1353 VanDerWaalsContact CE1-NE2 3.26Å; H1349-Q1353 PolarHBondContact NE2-NE2 3.35Å; H1349-Q1353 PolarHBondContact O-N 3.38Å; H1349-Q1353 PolarHBondContact O-NE2 2.94Å; H1349-I1369 HydrophobicContact CB-CD1 3.97Å; H1349-E1517 IonicContact CE1-OE2 2.83Å; H1349-E1517 PolarHBondContact CE1-OE2 3.38Å; H1349-E1517 IonicContact ND1-OE2 3.62Å |
| 1350 | E | 88.6 | Confident | 89 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 175.1 | -55.4 | -39.1 | 137 | 0 | 0 | 111.2 | Y1296 R1305 C1308 V1311 L1346 L1347 M1352 Q1353 | Y1296-E1350 HydrophobicContact CE1-CB 4.11Å; R1305-E1350 IonicContact CZ-OE1 2.7Å; R1305-E1350 IonicContact NH1-OE1 3.42Å; R1305-E1350 PolarHBondContact NH1-OE1 3.06Å; R1305-E1350 IonicContact NH2-OE1 3.74Å; R1305-E1350 PolarHBondContact NH2-OE1 2.95Å; R1305-E1350 IonicContact NH2-OE2 2.61Å; C1308-E1350 PolarHBondContact SG-OE2 3.12Å; V1311-E1350 HydrophobicContact CG1-CB 4.14Å; L1346-E1350 WeakPolarHBondContact O-CG 3.5Å; L1346-E1350 PolarHBondContact O-N 3.41Å; L1347-E1350 PolarHBondContact O-N 3.15Å; E1350-M1352 PolarHBondContact O-N 3.44Å; E1350-Q1353 PolarHBondContact O-N 3.02Å; E1350-Q1353 VanDerWaalsContact O-N 3.13Å |
| 1351 | C | 91.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -30.5 | 179.7 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | L1347 L1348 P1355 W1404 | L1347-C1351 PolarHBondContact O-N 3.07Å; L1347-C1351 VanDerWaalsContact O-N 3.08Å; L1347-C1351 PolarHBondContact O-SG 3.46Å; L1348-C1351 PolarHBondContact O-N 3.05Å; C1351-P1355 WeakPolarHBondContact O-CD 3.5Å; C1351-W1404 WeakPolarHBondContact O-CZ2 3.48Å |
| 1352 | M | 90.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -80.8 | -14.4 | -179.5 | -75.3 | -64.8 | -78.5 | 0 | 0 | 114.3 | L1348 H1349 E1350 V1354 P1355 K1356 V1361 F1364 G1366 I1369 | L1348-M1352 WeakPolarHBondContact O-CB 3.43Å; L1348-M1352 WeakPolarHBondContact O-CG 3.36Å; L1348-M1352 PolarHBondContact O-N 3.01Å; H1349-M1352 PolarHBondContact O-N 3.37Å; E1350-M1352 PolarHBondContact O-N 3.44Å; M1352-V1354 PolarHBondContact O-N 3.11Å; M1352-P1355 WeakPolarHBondContact O-CD 3.33Å; M1352-P1355 HydrophobicContact SD-CG 4.42Å; M1352-K1356 WeakPolarHBondContact O-CB 3.2Å; M1352-K1356 PolarHBondContact O-N 3.14Å; M1352-V1361 HydrophobicContact CE-CG2 3.62Å; M1352-F1364 HydrophobicContact CE-CB 3.98Å; M1352-F1364 HydrophobicContact SD-CB 4.44Å; M1352-G1366 WeakPolarHBondContact CE-O 3.49Å; M1352-I1369 HydrophobicContact CB-CG2 4.33Å; M1352-I1369 HydrophobicContact CG-CG2 3.77Å |
| 1353 | Q | 90.1 | Very high | 88.2 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -29.8 | 171.3 | -51.2 | -48.3 | -49.5 | 0 | 0 | 111.6 | V1295 Y1296 H1349 E1350 K1356 F1357 | V1295-Q1353 HydrophobicContact CG1-CB 3.54Å; Y1296-Q1353 HydrophobicContact CD1-CG 4.37Å; Y1296-Q1353 HydrophobicContact CE1-CB 4.31Å; Y1296-Q1353 HydrophobicContact CE1-CG 4.27Å; H1349-Q1353 PolarHBondContact CD2-NE2 3.5Å; H1349-Q1353 PolarHBondContact CE1-NE2 2.87Å; H1349-Q1353 VanDerWaalsContact CE1-NE2 3.26Å; H1349-Q1353 PolarHBondContact NE2-NE2 3.35Å; H1349-Q1353 PolarHBondContact O-N 3.38Å; H1349-Q1353 PolarHBondContact O-NE2 2.94Å; E1350-Q1353 PolarHBondContact O-N 3.02Å; E1350-Q1353 VanDerWaalsContact O-N 3.13Å; Q1353-K1356 WeakPolarHBondContact O-CB 3.36Å; Q1353-K1356 PolarHBondContact O-N 3.39Å; Q1353-K1356 VanDerWaalsContact OE1-CD 3.25Å; Q1353-F1357 PolarHBondContact O-N 3.18Å |
| 1354 | V | 90.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -49.5 | -179.5 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | L1220 W1291 V1295 L1315 M1352 K1356 F1357 L1358 W1404 | L1220-V1354 HydrophobicContact CD1-CG1 4.38Å; L1220-V1354 HydrophobicContact CD2-CG1 3.51Å; W1291-V1354 HydrophobicContact CZ2-CG2 4.2Å; V1295-V1354 HydrophobicContact CG1-CG2 3.92Å; L1315-V1354 HydrophobicContact CD1-CG2 4.37Å; M1352-V1354 PolarHBondContact O-N 3.11Å; V1354-K1356 VanDerWaalsContact C-N 3.28Å; V1354-K1356 PolarHBondContact O-N 3.16Å; V1354-F1357 PolarHBondContact O-N 2.86Å; V1354-L1358 PolarHBondContact O-N 3.41Å; V1354-W1404 HydrophobicContact CG1-CH2 4.48Å |
| 1355 | P | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -27 | 167.8 | -26.2 | 34.6 | 0 | 0 | 0 | 115.2 | C1351 M1352 L1358 G1359 E1360 V1361 F1364 W1404 | C1351-P1355 WeakPolarHBondContact O-CD 3.5Å; M1352-P1355 WeakPolarHBondContact O-CD 3.33Å; M1352-P1355 HydrophobicContact SD-CG 4.42Å; P1355-L1358 PolarHBondContact O-N 3.12Å; P1355-G1359 PolarHBondContact O-N 3.48Å; P1355-E1360 PolarHBondContact O-N 3.13Å; P1355-V1361 HydrophobicContact CB-CB 4.44Å; P1355-V1361 PolarHBondContact O-N 2.88Å; P1355-F1364 HydrophobicContact CB-CD2 3.93Å; P1355-F1364 HydrophobicContact CB-CE2 4.28Å; P1355-F1364 HydrophobicContact CG-CD2 4.41Å; P1355-W1404 HydrophobicContact CG-CD2 4.21Å; P1355-W1404 HydrophobicContact CG-CG 4.41Å; P1355-W1404 HydrophobicContact CG-CZ2 3.91Å; P1355-W1404 VanDerWaalsContact CG-NE1 3.34Å |
| 1356 | K | 89.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 25.1 Ų | 25.1 | 43% | 0.426 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.1 | -45.9 | 176.3 | 172.9 | -172.6 | 165.2 | -168.5 | 0 | 111.2 | M1352 Q1353 V1354 L1358 G1359 V1361 T1367 | M1352-K1356 WeakPolarHBondContact O-CB 3.2Å; M1352-K1356 PolarHBondContact O-N 3.14Å; Q1353-K1356 WeakPolarHBondContact O-CB 3.36Å; Q1353-K1356 PolarHBondContact O-N 3.39Å; Q1353-K1356 VanDerWaalsContact OE1-CD 3.25Å; V1354-K1356 VanDerWaalsContact C-N 3.28Å; V1354-K1356 PolarHBondContact O-N 3.16Å; K1356-L1358 PolarHBondContact O-N 3.08Å; K1356-G1359 PolarHBondContact O-N 3.39Å; K1356-V1361 HydrophobicContact CB-CB 4.02Å; K1356-V1361 HydrophobicContact CB-CG1 4.21Å; K1356-V1361 HydrophobicContact CB-CG2 4.2Å; K1356-T1367 HydrophobicContact CD-CG2 4.33Å |
| 1357 | F | 91.2 | Very high | 86 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 23% | 0.228 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -37.6 | 172 | 173 | -105.2 | 0 | 0 | 0 | 112.7 | M1196 V1200 L1223 W1291 N1294 V1295 Q1353 V1354 G1359 | M1196-F1357 HydrophobicContact CE-CE1 4.13Å; M1196-F1357 HydrophobicContact CE-CZ 3.74Å; V1200-F1357 HydrophobicContact CG2-CE1 4.45Å; V1200-F1357 HydrophobicContact CG2-CZ 3.88Å; L1223-F1357 HydrophobicContact CD2-CE1 4.31Å; W1291-F1357 AromaticContact CD1-CE1 3.78Å; W1291-F1357 AromaticContact NE1-CD1 3.94Å; N1294-F1357 HydrophobicContact CB-CD2 4.02Å; N1294-F1357 HydrophobicContact CB-CE2 3.68Å; N1294-F1357 HydrophobicContact CB-CZ 4.48Å; V1295-F1357 HydrophobicContact CG2-CB 3.91Å; V1295-F1357 HydrophobicContact CG2-CD1 4.29Å; V1295-F1357 HydrophobicContact CG2-CD2 4.45Å; V1295-F1357 HydrophobicContact CG2-CG 3.95Å; Q1353-F1357 PolarHBondContact O-N 3.18Å; V1354-F1357 PolarHBondContact O-N 2.86Å; F1357-G1359 VanDerWaalsContact C-N 3.29Å; F1357-G1359 PolarHBondContact O-N 3.06Å |
| 1358 | L | 89.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 30.9 Ų | 30.9 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.8 | 177.3 | -66.4 | -178.1 | 0 | 0 | 0 | 115.3 | L1203 T1216 K1219 L1220 V1354 P1355 K1356 E1360 | L1203-L1358 HydrophobicContact CD1-CD2 3.65Å; T1216-L1358 HydrophobicContact CG2-CD1 4.06Å; K1219-L1358 HydrophobicContact CB-CD1 3.85Å; K1219-L1358 HydrophobicContact CB-CD2 4.34Å; L1220-L1358 HydrophobicContact CD1-CD1 4.48Å; L1220-L1358 HydrophobicContact CD2-CD1 3.57Å; L1220-L1358 HydrophobicContact CG-CD1 3.61Å; V1354-L1358 PolarHBondContact O-N 3.41Å; P1355-L1358 PolarHBondContact O-N 3.12Å; K1356-L1358 PolarHBondContact O-N 3.08Å; L1358-E1360 VanDerWaalsContact C-N 3.3Å; L1358-E1360 HydrophobicContact CB-CG 4.17Å; L1358-E1360 PolarHBondContact O-N 3.32Å |
| 1359 | G | 86.6 | Confident | 85.2 | Confident | 66 Ų | 66 | 31.8 Ų | 31.8 | 68% | 0.68 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 15.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1355 K1356 F1357 | P1355-G1359 PolarHBondContact O-N 3.48Å; K1356-G1359 PolarHBondContact O-N 3.39Å; F1357-G1359 VanDerWaalsContact C-N 3.29Å; F1357-G1359 PolarHBondContact O-N 3.06Å |
| 1360 | E | 87.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | trans | -105.5 | -8.3 | -171.7 | -60.6 | -77.3 | 176 | 0 | 0 | 113.4 | R1215 T1216 K1219 P1355 L1358 A1362 A1363 F1364 | R1215-E1360 VanDerWaalsContact CD-OE1 3.31Å; R1215-E1360 WeakPolarHBondContact CD-OE1 3.43Å; R1215-E1360 WeakPolarHBondContact CG-OE1 3.33Å; R1215-E1360 IonicContact CZ-OE1 3.32Å; R1215-E1360 IonicContact CZ-OE2 2.87Å; R1215-E1360 VanDerWaalsContact CZ-OE2 3.27Å; R1215-E1360 VanDerWaalsContact NE-CD 3.27Å; R1215-E1360 IonicContact NE-OE1 2.7Å; R1215-E1360 PolarHBondContact NE-OE1 2.91Å; R1215-E1360 IonicContact NE-OE2 2.65Å; R1215-E1360 PolarHBondContact NE-OE2 2.86Å; R1215-E1360 IonicContact NH2-OE1 3.64Å; R1215-E1360 IonicContact NH2-OE2 3.7Å; R1215-E1360 PolarHBondContact NH2-OE2 3.13Å; T1216-E1360 HydrophobicContact CG2-CB 4.27Å; T1216-E1360 HydrophobicContact CG2-CG 4.33Å; T1216-E1360 WeakPolarHBondContact OG1-CB 3.27Å; T1216-E1360 WeakPolarHBondContact OG1-CG 3.37Å; K1219-E1360 IonicContact NZ-OE1 2.8Å; K1219-E1360 PolarHBondContact NZ-OE1 2.89Å; P1355-E1360 PolarHBondContact O-N 3.13Å; L1358-E1360 VanDerWaalsContact C-N 3.3Å; L1358-E1360 HydrophobicContact CB-CG 4.17Å; L1358-E1360 PolarHBondContact O-N 3.32Å; E1360-A1362 VanDerWaalsContact C-N 3.25Å; E1360-A1362 PolarHBondContact O-N 3.04Å; E1360-A1362 VanDerWaalsContact O-N 3.07Å; E1360-A1363 WeakPolarHBondContact O-CB 3.38Å; E1360-A1363 PolarHBondContact O-N 3.3Å; E1360-F1364 HydrophobicContact CB-CD2 4.47Å; E1360-F1364 HydrophobicContact CB-CE2 3.87Å; E1360-F1364 WeakPolarHBondContact O-CD2 3.36Å | ||
| 1361 | V | 86.5 | Confident | 84.7 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -51.6 | -35.8 | -170.9 | 70.6 | 0 | 0 | 0 | 0 | 114.8 | M1352 P1355 K1356 A1363 F1364 G1365 G1366 | M1352-V1361 HydrophobicContact CE-CG2 3.62Å; P1355-V1361 HydrophobicContact CB-CB 4.44Å; P1355-V1361 PolarHBondContact O-N 2.88Å; K1356-V1361 HydrophobicContact CB-CB 4.02Å; K1356-V1361 HydrophobicContact CB-CG1 4.21Å; K1356-V1361 HydrophobicContact CB-CG2 4.2Å; V1361-A1363 PolarHBondContact O-N 2.65Å; V1361-F1364 PolarHBondContact O-N 3.36Å; V1361-G1365 PolarHBondContact O-N 2.75Å; V1361-G1366 PolarHBondContact O-N 3.07Å |
| 1362 | A | 81.3 | Confident | 84.5 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -59.6 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1360 F1364 | E1360-A1362 VanDerWaalsContact C-N 3.25Å; E1360-A1362 PolarHBondContact O-N 3.04Å; E1360-A1362 VanDerWaalsContact O-N 3.07Å; A1362-F1364 PolarHBondContact O-N 3.48Å |
| 1363 | A | 79.4 | Confident | 84.4 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -76.9 | -7.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1212 E1360 V1361 Q1400 | S1212-A1363 VanDerWaalsContact CB-CB 3.44Å; E1360-A1363 WeakPolarHBondContact O-CB 3.38Å; E1360-A1363 PolarHBondContact O-N 3.3Å; V1361-A1363 PolarHBondContact O-N 2.65Å; A1363-Q1400 PolarHBondContact O-NE2 3.17Å |
| 1364 | F | 85.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -117.3 | 5 | -177.1 | -58.1 | -63.1 | 0 | 0 | 0 | 113.8 | A1213 T1216 M1352 P1355 E1360 V1361 A1362 Q1400 V1403 W1404 | A1213-F1364 HydrophobicContact CB-CE1 4.22Å; T1216-F1364 HydrophobicContact CG2-CE2 3.87Å; T1216-F1364 HydrophobicContact CG2-CZ 4.15Å; T1216-F1364 VanDerWaalsContact OG1-CE2 3.28Å; T1216-F1364 WeakPolarHBondContact OG1-CE2 3.28Å; T1216-F1364 VanDerWaalsContact OG1-CZ 3.28Å; T1216-F1364 WeakPolarHBondContact OG1-CZ 3.31Å; M1352-F1364 HydrophobicContact CE-CB 3.98Å; M1352-F1364 HydrophobicContact SD-CB 4.44Å; P1355-F1364 HydrophobicContact CB-CD2 3.93Å; P1355-F1364 HydrophobicContact CB-CE2 4.28Å; P1355-F1364 HydrophobicContact CG-CD2 4.41Å; E1360-F1364 HydrophobicContact CB-CD2 4.47Å; E1360-F1364 HydrophobicContact CB-CE2 3.87Å; E1360-F1364 WeakPolarHBondContact O-CD2 3.36Å; V1361-F1364 PolarHBondContact O-N 3.36Å; A1362-F1364 PolarHBondContact O-N 3.48Å; F1364-Q1400 WeakPolarHBondContact CB-O 3.14Å; F1364-Q1400 VanDerWaalsContact CD1-O 3.25Å; F1364-Q1400 WeakPolarHBondContact CD1-O 3.23Å; F1364-V1403 HydrophobicContact CD1-CG1 3.92Å; F1364-V1403 HydrophobicContact CE1-CG1 3.86Å; F1364-W1404 HydrophobicContact CE1-CB 4.17Å; F1364-W1404 HydrophobicContact CZ-CB 3.94Å; F1364-W1404 HydrophobicContact CZ-CG 4.37Å |
| 1365 | G | 70.2 | Confident | 84.2 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121.2 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1361 | V1361-G1365 PolarHBondContact O-N 2.75Š|
| 1366 | G | 75.4 | Confident | 84.1 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | 76.7 | -167.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1352 V1361 N1368 | M1352-G1366 WeakPolarHBondContact CE-O 3.49Å; V1361-G1366 PolarHBondContact O-N 3.07Å; G1366-N1368 PolarHBondContact O-N 3.01Å | ||
| 1367 | T | 74.9 | Confident | 84.2 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -71.9 | -15.3 | 175.5 | 44.1 | 0 | 0 | 0 | 0 | 113 | K1356 I1369 | K1356-T1367 HydrophobicContact CD-CG2 4.33Å; T1367-I1369 PolarHBondContact O-N 3.18Å |
| 1368 | N | 77.6 | Confident | 84 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | trans | -75.7 | 91.5 | 177.2 | -169.8 | -8.6 | 0 | 0 | 0 | 111.3 | G1366 E1370 P1371 | G1366-N1368 PolarHBondContact O-N 3.01Å; N1368-E1370 VanDerWaalsContact C-N 3.34Å; N1368-E1370 VanDerWaalsContact OD1-CB 3.31Å; N1368-E1370 WeakPolarHBondContact OD1-CB 3.39Å; N1368-E1370 PolarHBondContact OD1-N 3.24Å; N1368-P1371 WeakPolarHBondContact O-CD 3.5Å | ||
| 1369 | I | 84.1 | Confident | 83.8 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | trans | -75 | -15.6 | 177.8 | 48.3 | 160.5 | 0 | 0 | 0 | 114.7 | A1345 L1348 H1349 M1352 T1367 P1371 S1372 V1373 | A1345-I1369 HydrophobicContact CB-CD1 3.75Å; A1345-I1369 WeakPolarHBondContact O-CD1 3.28Å; L1348-I1369 HydrophobicContact CB-CB 4.19Å; L1348-I1369 HydrophobicContact CB-CD1 4.29Å; L1348-I1369 HydrophobicContact CB-CG2 3.98Å; H1349-I1369 HydrophobicContact CB-CD1 3.97Å; M1352-I1369 HydrophobicContact CB-CG2 4.33Å; M1352-I1369 HydrophobicContact CG-CG2 3.77Å; T1367-I1369 PolarHBondContact O-N 3.18Å; I1369-P1371 VanDerWaalsContact C-CD 3.47Å; I1369-S1372 WeakPolarHBondContact O-CA 3.4Å; I1369-S1372 VanDerWaalsContact O-CB 3.29Å; I1369-S1372 WeakPolarHBondContact O-CB 3.39Å; I1369-S1372 PolarHBondContact O-N 3.37Å; I1369-V1373 PolarHBondContact O-N 2.84Å; I1369-V1373 VanDerWaalsContact O-N 3.14Å | ||
| 1370 | E | 82.4 | Confident | 83.8 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.5 | -37.1 | -171.5 | 175.1 | 64.7 | 171.7 | 0 | 0 | 114 | N1368 S1372 V1373 R1374 | N1368-E1370 VanDerWaalsContact C-N 3.34Å; N1368-E1370 VanDerWaalsContact OD1-CB 3.31Å; N1368-E1370 WeakPolarHBondContact OD1-CB 3.39Å; N1368-E1370 PolarHBondContact OD1-N 3.24Å; E1370-S1372 PolarHBondContact O-N 3.27Å; E1370-V1373 PolarHBondContact O-N 3.49Å; E1370-R1374 VanDerWaalsContact CD-NE 3.35Å; E1370-R1374 HydrophobicContact CG-CG 4.37Å; E1370-R1374 VanDerWaalsContact CG-CZ 3.48Å; E1370-R1374 VanDerWaalsContact CG-NH2 3.33Å; E1370-R1374 WeakPolarHBondContact O-CB 3.45Å; E1370-R1374 WeakPolarHBondContact O-CG 3.46Å; E1370-R1374 PolarHBondContact O-N 3.3Å; E1370-R1374 IonicContact OE1-CZ 2.82Å; E1370-R1374 IonicContact OE1-NE 2.63Å; E1370-R1374 PolarHBondContact OE1-NE 3.1Å; E1370-R1374 IonicContact OE1-NH2 3.28Å; E1370-R1374 PolarHBondContact OE1-NH2 3.13Å |
| 1371 | P | 83.5 | Confident | 83.8 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 53% | 0.532 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -29.2 | 171.5 | -24.5 | 35.6 | 0 | 0 | 0 | 113.8 | N1368 I1369 S1375 | N1368-P1371 WeakPolarHBondContact O-CD 3.5Å; I1369-P1371 VanDerWaalsContact C-CD 3.47Å; P1371-S1375 WeakPolarHBondContact O-CB 3.41Å; P1371-S1375 PolarHBondContact O-N 3.36Å |
| 1372 | S | 87.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.7 | -40.8 | 175.2 | -64 | 0 | 0 | 0 | 0 | 112 | I1369 E1370 S1375 C1376 W1394 S1401 | I1369-S1372 WeakPolarHBondContact O-CA 3.4Å; I1369-S1372 VanDerWaalsContact O-CB 3.29Å; I1369-S1372 WeakPolarHBondContact O-CB 3.39Å; I1369-S1372 PolarHBondContact O-N 3.37Å; E1370-S1372 PolarHBondContact O-N 3.27Å; S1372-S1375 PolarHBondContact O-N 3.43Å; S1372-C1376 PolarHBondContact O-N 3.34Å; S1372-W1394 VanDerWaalsContact O-CZ2 3.28Å; S1372-W1394 WeakPolarHBondContact O-CZ2 3.45Å; S1372-S1401 VanDerWaalsContact CB-OG 3.29Å; S1372-S1401 WeakPolarHBondContact CB-OG 3.36Å; S1372-S1401 WeakPolarHBondContact OG-CB 3.3Å; S1372-S1401 PolarHBondContact OG-OG 3.08Å |
| 1373 | V | 88.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 172.4 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | Q1341 L1344 A1345 L1348 I1369 E1370 S1375 C1376 F1377 | Q1341-V1373 HydrophobicContact CB-CG1 4.13Å; Q1341-V1373 HydrophobicContact CG-CG1 4.34Å; L1344-V1373 HydrophobicContact CD2-CG1 4.32Å; A1345-V1373 HydrophobicContact CB-CG2 3.92Å; L1348-V1373 HydrophobicContact CD1-CG2 3.96Å; I1369-V1373 PolarHBondContact O-N 2.84Å; I1369-V1373 VanDerWaalsContact O-N 3.14Å; E1370-V1373 PolarHBondContact O-N 3.49Å; V1373-S1375 VanDerWaalsContact C-N 3.34Å; V1373-S1375 PolarHBondContact O-N 2.81Å; V1373-C1376 WeakPolarHBondContact O-CB 3.17Å; V1373-C1376 PolarHBondContact O-N 3.42Å; V1373-C1376 VanDerWaalsContact O-N 3.12Å; V1373-F1377 HydrophobicContact CG1-CD2 4.21Å; V1373-F1377 HydrophobicContact CG1-CE2 4.43Å; V1373-F1377 WeakPolarHBondContact O-CD2 3.45Å; V1373-F1377 PolarHBondContact O-N 3.26Å |
| 1374 | R | 87.5 | Confident | 84.1 | Confident | 149 Ų | 149 | 62.5 Ų | 62.5 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.7 | -43.7 | 175.6 | -70.1 | 178.7 | -172.3 | 167.6 | 10.6 | 112.4 | E1370 C1376 F1377 E1378 | E1370-R1374 VanDerWaalsContact CD-NE 3.35Å; E1370-R1374 HydrophobicContact CG-CG 4.37Å; E1370-R1374 VanDerWaalsContact CG-CZ 3.48Å; E1370-R1374 VanDerWaalsContact CG-NH2 3.33Å; E1370-R1374 WeakPolarHBondContact O-CB 3.45Å; E1370-R1374 WeakPolarHBondContact O-CG 3.46Å; E1370-R1374 PolarHBondContact O-N 3.3Å; E1370-R1374 IonicContact OE1-CZ 2.82Å; E1370-R1374 IonicContact OE1-NE 2.63Å; E1370-R1374 PolarHBondContact OE1-NE 3.1Å; E1370-R1374 IonicContact OE1-NH2 3.28Å; E1370-R1374 PolarHBondContact OE1-NH2 3.13Å; R1374-C1376 VanDerWaalsContact C-N 3.32Å; R1374-C1376 PolarHBondContact O-N 3.46Å; R1374-F1377 PolarHBondContact O-N 2.81Å; R1374-E1378 WeakPolarHBondContact O-CB 3.27Å; R1374-E1378 PolarHBondContact O-N 3.24Å |
| 1375 | S | 89.1 | Confident | 84.2 | Confident | 54 Ų | 54 | 66.3 Ų | 66.3 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 113.1 | P1371 S1372 V1373 K1379 W1394 | P1371-S1375 WeakPolarHBondContact O-CB 3.41Å; P1371-S1375 PolarHBondContact O-N 3.36Å; S1372-S1375 PolarHBondContact O-N 3.43Å; V1373-S1375 VanDerWaalsContact C-N 3.34Å; V1373-S1375 PolarHBondContact O-N 2.81Å; S1375-K1379 WeakPolarHBondContact O-CB 3.46Å; S1375-K1379 PolarHBondContact O-N 3.45Å; S1375-K1379 VanDerWaalsContact O-N 3.13Å; S1375-W1394 PolarHBondContact OG-NE1 2.78Å; S1375-W1394 VanDerWaalsContact OG-NE1 3.12Å |
| 1376 | C | 89.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -49.2 | 177.5 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | L1344 S1372 V1373 R1374 K1379 A1380 I1386 W1394 | L1344-C1376 HydrophobicContact CD2-CB 3.72Å; S1372-C1376 PolarHBondContact O-N 3.34Å; V1373-C1376 WeakPolarHBondContact O-CB 3.17Å; V1373-C1376 PolarHBondContact O-N 3.42Å; V1373-C1376 VanDerWaalsContact O-N 3.12Å; R1374-C1376 VanDerWaalsContact C-N 3.32Å; R1374-C1376 PolarHBondContact O-N 3.46Å; C1376-K1379 PolarHBondContact O-N 2.99Å; C1376-A1380 WeakPolarHBondContact O-CB 3.35Å; C1376-A1380 PolarHBondContact O-N 3.25Å; C1376-A1380 VanDerWaalsContact O-N 3.07Å; C1376-I1386 WeakPolarHBondContact SG-CD1 3.28Å; C1376-W1394 VanDerWaalsContact CA-CD1 3.45Å; C1376-W1394 HydrophobicContact CB-CD2 3.62Å; C1376-W1394 HydrophobicContact CB-CE3 4.08Å; C1376-W1394 HydrophobicContact CB-CG 3.85Å; C1376-W1394 HydrophobicContact CB-CZ2 4.16Å; C1376-W1394 VanDerWaalsContact SG-CD2 3.56Å |
| 1377 | F | 90.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 179.5 | -83 | -99.3 | 0 | 0 | 0 | 112.5 | Q1341 L1344 V1373 R1374 K1379 A1380 K1381 Y1382 P1383 I1386 | Q1341-F1377 HydrophobicContact CB-CE2 4.35Å; Q1341-F1377 HydrophobicContact CB-CZ 4.32Å; Q1341-F1377 HydrophobicContact CG-CD1 3.78Å; Q1341-F1377 HydrophobicContact CG-CD2 3.84Å; Q1341-F1377 HydrophobicContact CG-CE1 3.57Å; Q1341-F1377 HydrophobicContact CG-CE2 3.63Å; Q1341-F1377 HydrophobicContact CG-CG 3.92Å; Q1341-F1377 HydrophobicContact CG-CZ 3.5Å; L1344-F1377 HydrophobicContact CB-CE2 4.38Å; L1344-F1377 HydrophobicContact CD2-CD2 4.05Å; L1344-F1377 HydrophobicContact CD2-CE2 3.73Å; V1373-F1377 HydrophobicContact CG1-CD2 4.21Å; V1373-F1377 HydrophobicContact CG1-CE2 4.43Å; V1373-F1377 WeakPolarHBondContact O-CD2 3.45Å; V1373-F1377 PolarHBondContact O-N 3.26Å; R1374-F1377 PolarHBondContact O-N 2.81Å; F1377-K1379 PolarHBondContact O-N 2.83Å; F1377-A1380 CarbonylContact O-C 3.5Å; F1377-A1380 WeakPolarHBondContact O-CA 3.45Å; F1377-A1380 WeakPolarHBondContact O-CB 3.49Å; F1377-A1380 PolarHBondContact O-N 3.39Å; F1377-A1380 VanDerWaalsContact O-N 3.15Å; F1377-K1381 PolarHBondContact O-N 3.4Å; F1377-Y1382 HydrophobicContact CB-CD1 4.43Å; F1377-Y1382 WeakPolarHBondContact O-CA 3.47Å; F1377-Y1382 PolarHBondContact O-N 3.1Å; F1377-P1383 HydrophobicContact CD1-CG 4.33Å; F1377-P1383 WeakPolarHBondContact CD1-O 3.38Å; F1377-P1383 WeakPolarHBondContact CE1-O 3.36Å; F1377-I1386 HydrophobicContact CD1-CG2 4.09Å; F1377-I1386 HydrophobicContact CD2-CG2 4.26Å; F1377-I1386 HydrophobicContact CE1-CG2 3.88Å; F1377-I1386 HydrophobicContact CE2-CD1 4.24Å; F1377-I1386 HydrophobicContact CE2-CG1 4.3Å; F1377-I1386 HydrophobicContact CE2-CG2 4.05Å; F1377-I1386 HydrophobicContact CG-CG2 4.28Å; F1377-I1386 HydrophobicContact CZ-CB 4.49Å; F1377-I1386 HydrophobicContact CZ-CG1 4.19Å; F1377-I1386 HydrophobicContact CZ-CG2 3.85Å |
| 1378 | E | 87.2 | Confident | 86.5 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 173.4 | 177.1 | 177.6 | 170.9 | 0 | 0 | 111.6 | R1374 A1380 K1381 Y1382 | R1374-E1378 WeakPolarHBondContact O-CB 3.27Å; R1374-E1378 PolarHBondContact O-N 3.24Å; E1378-A1380 PolarHBondContact O-N 3.24Å; E1378-K1381 WeakPolarHBondContact O-CA 3.18Å; E1378-K1381 PolarHBondContact O-N 2.91Å; E1378-Y1382 HydrophobicContact CB-CE1 3.69Å; E1378-Y1382 HydrophobicContact CB-CE2 4.37Å; E1378-Y1382 HydrophobicContact CG-CE1 4.36Å; E1378-Y1382 HydrophobicContact CG-CE2 4.25Å; E1378-Y1382 WeakPolarHBondContact CG-OH 3.3Å |
| 1379 | K | 86.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 177.7 | -169 | 179.7 | -176.5 | 174.7 | 0 | 112.2 | S1375 C1376 F1377 K1381 D1393 W1394 C1397 | S1375-K1379 WeakPolarHBondContact O-CB 3.46Å; S1375-K1379 PolarHBondContact O-N 3.45Å; S1375-K1379 VanDerWaalsContact O-N 3.13Å; C1376-K1379 PolarHBondContact O-N 2.99Å; F1377-K1379 PolarHBondContact O-N 2.83Å; K1379-K1381 PolarHBondContact O-N 3Å; K1379-D1393 PolarHBondContact NZ-O 3.36Å; K1379-W1394 HydrophobicContact CD-CB 4.19Å; K1379-C1397 PolarHBondContact NZ-SG 3.21Å |
| 1380 | A | 85.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1376 F1377 E1378 P1383 I1386 Q1390 | C1376-A1380 WeakPolarHBondContact O-CB 3.35Å; C1376-A1380 PolarHBondContact O-N 3.25Å; C1376-A1380 VanDerWaalsContact O-N 3.07Å; F1377-A1380 CarbonylContact O-C 3.5Å; F1377-A1380 WeakPolarHBondContact O-CA 3.45Å; F1377-A1380 WeakPolarHBondContact O-CB 3.49Å; F1377-A1380 PolarHBondContact O-N 3.39Å; F1377-A1380 VanDerWaalsContact O-N 3.15Å; E1378-A1380 PolarHBondContact O-N 3.24Å; A1380-P1383 HydrophobicContact CB-CG 3.88Å; A1380-I1386 HydrophobicContact CB-CG2 3.88Å; A1380-Q1390 HydrophobicContact CB-CB 4.28Å; A1380-Q1390 HydrophobicContact CB-CG 4.33Å |
| 1381 | K | 86.8 | Confident | 87.9 | Confident | 183 Ų | 183 | 65.4 Ų | 65.4 | 80% | 0.796 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 42.1 | -173.9 | -52.9 | 179.8 | -177.9 | 176.2 | 0 | 115 | F1377 E1378 K1379 | F1377-K1381 PolarHBondContact O-N 3.4Å; E1378-K1381 WeakPolarHBondContact O-CA 3.18Å; E1378-K1381 PolarHBondContact O-N 2.91Å; K1379-K1381 PolarHBondContact O-N 3Å |
| 1382 | Y | 84.9 | Confident | 88.2 | Confident | 147 Ų | 147 | 62.8 Ų | 62.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 52.4 | 54.2 | 175.9 | -51.8 | -74 | 0 | 0 | 0 | 115.2 | F1377 E1378 | F1377-Y1382 HydrophobicContact CB-CD1 4.43Å; F1377-Y1382 WeakPolarHBondContact O-CA 3.47Å; F1377-Y1382 PolarHBondContact O-N 3.1Å; E1378-Y1382 HydrophobicContact CB-CE1 3.69Å; E1378-Y1382 HydrophobicContact CB-CE2 4.37Å; E1378-Y1382 HydrophobicContact CG-CE1 4.36Å; E1378-Y1382 HydrophobicContact CG-CE2 4.25Å; E1378-Y1382 WeakPolarHBondContact CG-OH 3.3Å |
| 1383 | P | 86 | Confident | 88.3 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | trans | -69.6 | 164.9 | 166.5 | 35.9 | -37.3 | 0 | 0 | 0 | 110.6 | F1377 A1380 E1385 I1386 | F1377-P1383 HydrophobicContact CD1-CG 4.33Å; F1377-P1383 WeakPolarHBondContact CD1-O 3.38Å; F1377-P1383 WeakPolarHBondContact CE1-O 3.36Å; A1380-P1383 HydrophobicContact CB-CG 3.88Å; P1383-E1385 VanDerWaalsContact C-N 3.31Å; P1383-E1385 WeakPolarHBondContact CB-O 3.23Å; P1383-E1385 WeakPolarHBondContact CG-O 3.41Å; P1383-I1386 HydrophobicContact CG-CG2 3.99Å | ||
| 1384 | S | 83.1 | Confident | 88.5 | Confident | 104 Ų | 104 | 65.6 Ų | 65.6 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -67.5 | -33.9 | 170.3 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1385 | E | 86.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.9 | 179 | -56.6 | 177.1 | 175.8 | 0 | 0 | 109.9 | S1338 L1339 P1383 | S1338-E1385 WeakPolarHBondContact CB-OE2 3.27Å; S1338-E1385 PolarHBondContact OG-OE2 3.22Å; L1339-E1385 CarbonylContact O-C 3.52Å; L1339-E1385 VanDerWaalsContact O-CA 3.28Å; L1339-E1385 WeakPolarHBondContact O-CA 3.31Å; P1383-E1385 VanDerWaalsContact C-N 3.31Å; P1383-E1385 WeakPolarHBondContact CB-O 3.23Å; P1383-E1385 WeakPolarHBondContact CG-O 3.41Å |
| 1386 | I | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143 | 171 | 60.5 | 173.7 | 0 | 0 | 0 | 111.4 | S1338 L1339 L1344 C1376 F1377 A1380 P1383 Q1390 Y1391 | S1338-I1386 WeakPolarHBondContact CA-O 3.24Å; L1339-I1386 HydrophobicContact CB-CG1 4.01Å; L1339-I1386 HydrophobicContact CD2-CD1 4.46Å; L1339-I1386 PolarHBondContact N-O 2.8Å; L1339-I1386 WeakPolarHBondContact O-CG1 3.46Å; L1339-I1386 PolarHBondContact O-N 3.23Å; L1344-I1386 HydrophobicContact CD2-CD1 3.94Å; C1376-I1386 WeakPolarHBondContact SG-CD1 3.28Å; F1377-I1386 HydrophobicContact CD1-CG2 4.09Å; F1377-I1386 HydrophobicContact CD2-CG2 4.26Å; F1377-I1386 HydrophobicContact CE1-CG2 3.88Å; F1377-I1386 HydrophobicContact CE2-CD1 4.24Å; F1377-I1386 HydrophobicContact CE2-CG1 4.3Å; F1377-I1386 HydrophobicContact CE2-CG2 4.05Å; F1377-I1386 HydrophobicContact CG-CG2 4.28Å; F1377-I1386 HydrophobicContact CZ-CB 4.49Å; F1377-I1386 HydrophobicContact CZ-CG1 4.19Å; F1377-I1386 HydrophobicContact CZ-CG2 3.85Å; A1380-I1386 HydrophobicContact CB-CG2 3.88Å; P1383-I1386 HydrophobicContact CG-CG2 3.99Å; I1386-Q1390 HydrophobicContact CB-CB 4.4Å; I1386-Y1391 HydrophobicContact CD1-CD2 4.13Å |
| 1387 | T | 91.2 | Very high | 88.4 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 160.2 | 171 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | Q1389 Q1390 Y1391 | T1387-Q1389 PolarHBondContact O-N 2.85Å; T1387-Q1389 VanDerWaalsContact O-N 3.13Å; T1387-Q1390 PolarHBondContact O-N 3.45Å; T1387-Q1390 PolarHBondContact OG1-OE1 3.09Å; T1387-Y1391 PolarHBondContact O-N 3.08Å |
| 1388 | L | 89.5 | Confident | 88.3 | Confident | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -51.3 | -36.9 | 176 | 179.9 | 64.5 | 0 | 0 | 0 | 113.1 | R1326 F1329 Y1391 F1392 | R1326-L1388 HydrophobicContact CG-CD1 4.45Å; R1326-L1388 HydrophobicContact CG-CD2 4.1Å; F1329-L1388 HydrophobicContact CB-CD1 3.77Å; F1329-L1388 HydrophobicContact CD1-CB 4.07Å; F1329-L1388 HydrophobicContact CD1-CD1 3.72Å; F1329-L1388 HydrophobicContact CD1-CG 4.42Å; F1329-L1388 HydrophobicContact CD2-CD1 4.26Å; F1329-L1388 HydrophobicContact CE1-CB 3.86Å; F1329-L1388 HydrophobicContact CE1-CD1 4.38Å; F1329-L1388 HydrophobicContact CG-CD1 3.65Å; F1329-L1388 HydrophobicContact CZ-CB 4.12Å; F1329-L1388 VanDerWaalsContact CZ-N 3.35Å; L1388-Y1391 PolarHBondContact O-N 2.89Å; L1388-F1392 HydrophobicContact CD1-CD2 3.96Å; L1388-F1392 HydrophobicContact CD1-CE2 3.61Å; L1388-F1392 HydrophobicContact CD1-CZ 4.46Å; L1388-F1392 HydrophobicContact CD2-CE2 4.18Å; L1388-F1392 HydrophobicContact CG-CD2 3.89Å; L1388-F1392 HydrophobicContact CG-CE2 3.72Å; L1388-F1392 VanDerWaalsContact O-CD2 3.23Å; L1388-F1392 WeakPolarHBondContact O-CD2 3.5Å; L1388-F1392 PolarHBondContact O-N 2.94Å |
| 1389 | Q | 90.3 | Very high | 88.3 | Confident | 114 Ų | 114 | 64.5 Ų | 64.5 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 178.1 | -175.6 | 60.8 | 47.3 | 0 | 0 | 112.2 | T1387 Y1391 F1392 D1393 | T1387-Q1389 PolarHBondContact O-N 2.85Å; T1387-Q1389 VanDerWaalsContact O-N 3.13Å; Q1389-Y1391 VanDerWaalsContact C-N 3.28Å; Q1389-Y1391 PolarHBondContact O-N 3.07Å; Q1389-F1392 PolarHBondContact O-N 3.18Å; Q1389-D1393 PolarHBondContact NE2-OD1 3.47Å; Q1389-D1393 WeakPolarHBondContact O-CB 3.25Å; Q1389-D1393 PolarHBondContact O-N 3.21Å |
| 1390 | Q | 91.1 | Very high | 88.1 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 176.5 | -70.9 | 158.9 | -58.3 | 0 | 0 | 111.2 | A1380 I1386 T1387 D1393 W1394 | A1380-Q1390 HydrophobicContact CB-CB 4.28Å; A1380-Q1390 HydrophobicContact CB-CG 4.33Å; I1386-Q1390 HydrophobicContact CB-CB 4.4Å; T1387-Q1390 PolarHBondContact O-N 3.45Å; T1387-Q1390 PolarHBondContact OG1-OE1 3.09Å; Q1390-D1393 PolarHBondContact O-N 2.89Å; Q1390-W1394 PolarHBondContact O-N 2.96Å |
| 1391 | Y | 90.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 173.5 | -178.9 | -116.2 | 0 | 0 | 0 | 112.1 | F1329 L1344 I1386 T1387 L1388 Q1389 W1394 L1395 | F1329-Y1391 HydrophobicContact CB-CD1 3.92Å; F1329-Y1391 HydrophobicContact CB-CE1 3.87Å; F1329-Y1391 AromaticContact CD2-CD1 3.64Å; F1329-Y1391 HydrophobicContact CD2-CD1 3.64Å; F1329-Y1391 HydrophobicContact CD2-CE1 4.23Å; F1329-Y1391 AromaticContact CD2-CG 3.8Å; F1329-Y1391 HydrophobicContact CD2-CG 3.8Å; F1329-Y1391 HydrophobicContact CE2-CG 4.42Å; F1329-Y1391 HydrophobicContact CG-CD1 4.16Å; L1344-Y1391 HydrophobicContact CD1-CD2 4.24Å; L1344-Y1391 HydrophobicContact CD1-CE2 3.8Å; I1386-Y1391 HydrophobicContact CD1-CD2 4.13Å; T1387-Y1391 PolarHBondContact O-N 3.08Å; L1388-Y1391 PolarHBondContact O-N 2.89Å; Q1389-Y1391 VanDerWaalsContact C-N 3.28Å; Q1389-Y1391 PolarHBondContact O-N 3.07Å; Y1391-W1394 HydrophobicContact CD2-CE3 4.28Å; Y1391-W1394 HydrophobicContact CE2-CE3 4.29Å; Y1391-W1394 HydrophobicContact CE2-CZ3 4.21Å; Y1391-W1394 PolarHBondContact O-N 3.35Å; Y1391-L1395 HydrophobicContact CD1-CD1 3.79Å; Y1391-L1395 HydrophobicContact CD2-CD1 4.36Å; Y1391-L1395 HydrophobicContact CE1-CD1 3.42Å; Y1391-L1395 VanDerWaalsContact CE1-CD1 3.42Å; Y1391-L1395 HydrophobicContact CE1-CG 4.49Å; Y1391-L1395 HydrophobicContact CE2-CD1 4.02Å; Y1391-L1395 HydrophobicContact CE2-CG 4.29Å; Y1391-L1395 HydrophobicContact CG-CD1 4.26Å; Y1391-L1395 WeakPolarHBondContact O-CG 3.29Å; Y1391-L1395 PolarHBondContact O-N 3.29Å |
| 1392 | F | 90.9 | Very high | 88.2 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 171.4 | -88.3 | -62.1 | 0 | 0 | 0 | 112.5 | A1322 Y1325 R1326 L1388 Q1389 W1394 L1395 N1396 | A1322-F1392 HydrophobicContact CB-CE1 4.15Å; A1322-F1392 VanDerWaalsContact O-CZ 3.3Å; A1322-F1392 WeakPolarHBondContact O-CZ 3.44Å; Y1325-F1392 HydrophobicContact CD2-CE1 4.28Å; R1326-F1392 HydrophobicContact CB-CZ 4.23Å; L1388-F1392 HydrophobicContact CD1-CD2 3.96Å; L1388-F1392 HydrophobicContact CD1-CE2 3.61Å; L1388-F1392 HydrophobicContact CD1-CZ 4.46Å; L1388-F1392 HydrophobicContact CD2-CE2 4.18Å; L1388-F1392 HydrophobicContact CG-CD2 3.89Å; L1388-F1392 HydrophobicContact CG-CE2 3.72Å; L1388-F1392 VanDerWaalsContact O-CD2 3.23Å; L1388-F1392 WeakPolarHBondContact O-CD2 3.5Å; L1388-F1392 PolarHBondContact O-N 2.94Å; Q1389-F1392 PolarHBondContact O-N 3.18Å; F1392-W1394 VanDerWaalsContact C-N 3.26Å; F1392-W1394 PolarHBondContact O-N 3.41Å; F1392-L1395 PolarHBondContact O-N 2.74Å; F1392-N1396 WeakPolarHBondContact O-CB 3.46Å; F1392-N1396 PolarHBondContact O-N 3.18Å; F1392-N1396 PolarHBondContact O-ND2 2.9Å |
| 1393 | D | 89 | Confident | 88.5 | Confident | 72 Ų | 72 | 46.2 Ų | 46.2 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 179.8 | -70.3 | -19.3 | 0 | 0 | 0 | 110.9 | K1379 Q1389 Q1390 | K1379-D1393 PolarHBondContact NZ-O 3.36Å; Q1389-D1393 PolarHBondContact NE2-OD1 3.47Å; Q1389-D1393 WeakPolarHBondContact O-CB 3.25Å; Q1389-D1393 PolarHBondContact O-N 3.21Å; Q1390-D1393 PolarHBondContact O-N 2.89Å |
| 1394 | W | 92.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -52.7 | 171.9 | 178.4 | 72.8 | 0 | 0 | 0 | 112.8 | L1348 S1372 S1375 C1376 K1379 Q1390 Y1391 F1392 N1396 C1397 P1399 | L1348-W1394 HydrophobicContact CD1-CH2 4.19Å; L1348-W1394 HydrophobicContact CD2-CH2 4.26Å; S1372-W1394 VanDerWaalsContact O-CZ2 3.28Å; S1372-W1394 WeakPolarHBondContact O-CZ2 3.45Å; S1375-W1394 PolarHBondContact OG-NE1 2.78Å; S1375-W1394 VanDerWaalsContact OG-NE1 3.12Å; C1376-W1394 VanDerWaalsContact CA-CD1 3.45Å; C1376-W1394 HydrophobicContact CB-CD2 3.62Å; C1376-W1394 HydrophobicContact CB-CE3 4.08Å; C1376-W1394 HydrophobicContact CB-CG 3.85Å; C1376-W1394 HydrophobicContact CB-CZ2 4.16Å; C1376-W1394 VanDerWaalsContact SG-CD2 3.56Å; K1379-W1394 HydrophobicContact CD-CB 4.19Å; Q1390-W1394 PolarHBondContact O-N 2.96Å; Y1391-W1394 HydrophobicContact CD2-CE3 4.28Å; Y1391-W1394 HydrophobicContact CE2-CE3 4.29Å; Y1391-W1394 HydrophobicContact CE2-CZ3 4.21Å; Y1391-W1394 PolarHBondContact O-N 3.35Å; F1392-W1394 VanDerWaalsContact C-N 3.26Å; F1392-W1394 PolarHBondContact O-N 3.41Å; W1394-N1396 VanDerWaalsContact C-N 3.26Å; W1394-N1396 PolarHBondContact O-N 3.01Å; W1394-C1397 PolarHBondContact O-N 3.48Å; W1394-P1399 HydrophobicContact CD2-CB 4.28Å; W1394-P1399 HydrophobicContact CD2-CG 3.84Å; W1394-P1399 HydrophobicContact CE3-CG 3.93Å; W1394-P1399 HydrophobicContact CH2-CB 3.89Å; W1394-P1399 HydrophobicContact CH2-CG 3.65Å; W1394-P1399 HydrophobicContact CZ2-CB 3.36Å; W1394-P1399 HydrophobicContact CZ2-CG 3.55Å; W1394-P1399 HydrophobicContact CZ3-CG 3.83Å |
| 1395 | L | 90.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -34.3 | 178.9 | -72.4 | 171.2 | 0 | 0 | 0 | 113.4 | Y1325 Y1391 F1392 C1397 E1398 P1399 I1402 | Y1325-L1395 HydrophobicContact CD1-CD1 3.58Å; Y1325-L1395 HydrophobicContact CD1-CD2 4.46Å; Y1325-L1395 HydrophobicContact CD2-CB 4.47Å; Y1325-L1395 HydrophobicContact CD2-CD1 3.8Å; Y1325-L1395 HydrophobicContact CE1-CD1 3.88Å; Y1325-L1395 HydrophobicContact CE1-CD2 3.97Å; Y1325-L1395 HydrophobicContact CE1-CG 4.45Å; Y1325-L1395 HydrophobicContact CE2-CB 4.14Å; Y1325-L1395 HydrophobicContact CE2-CD1 4.08Å; Y1325-L1395 HydrophobicContact CG-CD1 3.53Å; Y1391-L1395 HydrophobicContact CD1-CD1 3.79Å; Y1391-L1395 HydrophobicContact CD2-CD1 4.36Å; Y1391-L1395 HydrophobicContact CE1-CD1 3.42Å; Y1391-L1395 VanDerWaalsContact CE1-CD1 3.42Å; Y1391-L1395 HydrophobicContact CE1-CG 4.49Å; Y1391-L1395 HydrophobicContact CE2-CD1 4.02Å; Y1391-L1395 HydrophobicContact CE2-CG 4.29Å; Y1391-L1395 HydrophobicContact CG-CD1 4.26Å; Y1391-L1395 WeakPolarHBondContact O-CG 3.29Å; Y1391-L1395 PolarHBondContact O-N 3.29Å; F1392-L1395 PolarHBondContact O-N 2.74Å; L1395-C1397 PolarHBondContact O-N 3.19Å; L1395-E1398 PolarHBondContact O-N 2.77Å; L1395-P1399 HydrophobicContact CD2-CG 4.21Å; L1395-I1402 HydrophobicContact CD2-CG2 3.65Å |
| 1396 | N | 87.1 | Confident | 89.5 | Confident | 116 Ų | 116 | 36.3 Ų | 36.3 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -3.5 | 174.8 | -75.2 | -37.5 | 0 | 0 | 0 | 114.2 | F1392 W1394 | F1392-N1396 WeakPolarHBondContact O-CB 3.46Å; F1392-N1396 PolarHBondContact O-N 3.18Å; F1392-N1396 PolarHBondContact O-ND2 2.9Å; W1394-N1396 VanDerWaalsContact C-N 3.26Å; W1394-N1396 PolarHBondContact O-N 3.01Å |
| 1397 | C | 87.8 | Confident | 89.6 | Confident | 93 Ų | 93 | 36.3 Ų | 36.3 | 63% | 0.628 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 11.6 | 166.3 | -78.9 | 0 | 0 | 0 | 0 | 114.1 | K1379 W1394 L1395 | K1379-C1397 PolarHBondContact NZ-SG 3.21Å; W1394-C1397 PolarHBondContact O-N 3.48Å; L1395-C1397 PolarHBondContact O-N 3.19Å |
| 1398 | E | 87.7 | Confident | 89.7 | Confident | 72 Ų | 72 | 33.2 Ų | 33.2 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | trans | 51.9 | 60.6 | 177.5 | -63.5 | -172.2 | -154.1 | 0 | 0 | 113.8 | L1395 V1403 A1406 R1410 | L1395-E1398 PolarHBondContact O-N 2.77Å; E1398-V1403 HydrophobicContact CB-CG2 4.09Å; E1398-A1406 HydrophobicContact CG-CB 4.06Å; E1398-R1410 IonicContact OE1-CZ 2.74Å; E1398-R1410 IonicContact OE1-NH1 3.28Å; E1398-R1410 PolarHBondContact OE1-NH1 2.9Å; E1398-R1410 IonicContact OE1-NH2 2.84Å; E1398-R1410 IonicContact OE2-CZ 2.81Å; E1398-R1410 VanDerWaalsContact OE2-CZ 3.28Å; E1398-R1410 IonicContact OE2-NH1 3.97Å; E1398-R1410 PolarHBondContact OE2-NH1 3.25Å; E1398-R1410 IonicContact OE2-NH2 2.67Å; E1398-R1410 PolarHBondContact OE2-NH2 2.93Å | ||
| 1399 | P | 87.2 | Confident | 89.9 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 10% | 0.097 | 17% | 0.17 | C | C | . | . | trans | -63.4 | 143.2 | -176.6 | 25.1 | -32 | 0 | 0 | 0 | 112.6 | W1394 L1395 S1401 I1402 V1403 | W1394-P1399 HydrophobicContact CD2-CB 4.28Å; W1394-P1399 HydrophobicContact CD2-CG 3.84Å; W1394-P1399 HydrophobicContact CE3-CG 3.93Å; W1394-P1399 HydrophobicContact CH2-CB 3.89Å; W1394-P1399 HydrophobicContact CH2-CG 3.65Å; W1394-P1399 HydrophobicContact CZ2-CB 3.36Å; W1394-P1399 HydrophobicContact CZ2-CG 3.55Å; W1394-P1399 HydrophobicContact CZ3-CG 3.83Å; L1395-P1399 HydrophobicContact CD2-CG 4.21Å; P1399-S1401 VanDerWaalsContact C-N 3.26Å; P1399-S1401 PolarHBondContact O-N 2.88Å; P1399-I1402 HydrophobicContact CG-CG2 4.05Å; P1399-I1402 PolarHBondContact O-N 2.75Å; P1399-V1403 PolarHBondContact O-N 2.85Å | ||
| 1400 | Q | 83.3 | Confident | 89.9 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 27% | 0.271 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.7 | -162.3 | -171.7 | 61.6 | 24.7 | 0 | 0 | 114.9 | A1363 F1364 V1403 | A1363-Q1400 PolarHBondContact O-NE2 3.17Å; F1364-Q1400 WeakPolarHBondContact CB-O 3.14Å; F1364-Q1400 VanDerWaalsContact CD1-O 3.25Å; F1364-Q1400 WeakPolarHBondContact CD1-O 3.23Å; Q1400-V1403 WeakPolarHBondContact O-CG1 3.3Å |
| 1401 | S | 85.8 | Confident | 90 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.3 | 178 | 41.8 | 0 | 0 | 0 | 0 | 114.3 | S1372 P1399 W1404 | S1372-S1401 VanDerWaalsContact CB-OG 3.29Å; S1372-S1401 WeakPolarHBondContact CB-OG 3.36Å; S1372-S1401 WeakPolarHBondContact OG-CB 3.3Å; S1372-S1401 PolarHBondContact OG-OG 3.08Å; P1399-S1401 VanDerWaalsContact C-N 3.26Å; P1399-S1401 PolarHBondContact O-N 2.88Å; S1401-W1404 PolarHBondContact O-NE1 2.86Å |
| 1402 | I | 89 | Confident | 90 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 6.7 | -175.7 | -159.3 | 163.4 | 0 | 0 | 0 | 114 | Y1325 L1395 P1399 W1404 L1405 | Y1325-I1402 HydrophobicContact CE1-CD1 4.25Å; L1395-I1402 HydrophobicContact CD2-CG2 3.65Å; P1399-I1402 HydrophobicContact CG-CG2 4.05Å; P1399-I1402 PolarHBondContact O-N 2.75Å; I1402-W1404 HydrophobicContact CG1-CZ2 4.23Å; I1402-W1404 PolarHBondContact O-N 3.09Å; I1402-W1404 VanDerWaalsContact O-N 3.12Å; I1402-L1405 HydrophobicContact CD1-CD2 4.24Å; I1402-L1405 HydrophobicContact CG1-CB 4.05Å; I1402-L1405 HydrophobicContact CG1-CD2 4.25Å; I1402-L1405 WeakPolarHBondContact O-CB 3.15Å; I1402-L1405 PolarHBondContact O-N 2.71Å |
| 1403 | V | 90.6 | Very high | 90 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.6 | -30.6 | 175.5 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | A1213 F1364 E1398 P1399 Q1400 L1405 A1406 V1407 Y1504 | A1213-V1403 HydrophobicContact CB-CG1 4.32Å; F1364-V1403 HydrophobicContact CD1-CG1 3.92Å; F1364-V1403 HydrophobicContact CE1-CG1 3.86Å; E1398-V1403 HydrophobicContact CB-CG2 4.09Å; P1399-V1403 PolarHBondContact O-N 2.85Å; Q1400-V1403 WeakPolarHBondContact O-CG1 3.3Å; V1403-L1405 VanDerWaalsContact C-N 3.26Å; V1403-L1405 PolarHBondContact O-N 3.45Å; V1403-A1406 PolarHBondContact O-N 3.37Å; V1403-V1407 HydrophobicContact CG2-CG2 4.21Å; V1403-V1407 WeakPolarHBondContact O-CG2 3.28Å; V1403-V1407 PolarHBondContact O-N 2.94Å; V1403-Y1504 HydrophobicContact CG2-CE1 4.41Å |
| 1404 | W | 92.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -33.1 | 176.2 | 51.5 | -96 | 0 | 0 | 0 | 112.9 | T1216 L1220 L1315 C1351 V1354 P1355 F1364 S1401 I1402 M1408 | T1216-W1404 HydrophobicContact CG2-CB 4.08Å; T1216-W1404 HydrophobicContact CG2-CG 4.41Å; L1220-W1404 HydrophobicContact CD1-CD2 4.17Å; L1220-W1404 HydrophobicContact CD1-CE3 3.29Å; L1220-W1404 HydrophobicContact CD1-CZ3 3.64Å; L1315-W1404 HydrophobicContact CD1-CH2 4.41Å; L1315-W1404 HydrophobicContact CD2-CH2 4.16Å; C1351-W1404 WeakPolarHBondContact O-CZ2 3.48Å; V1354-W1404 HydrophobicContact CG1-CH2 4.48Å; P1355-W1404 HydrophobicContact CG-CD2 4.21Å; P1355-W1404 HydrophobicContact CG-CG 4.41Å; P1355-W1404 HydrophobicContact CG-CZ2 3.91Å; P1355-W1404 VanDerWaalsContact CG-NE1 3.34Å; F1364-W1404 HydrophobicContact CE1-CB 4.17Å; F1364-W1404 HydrophobicContact CZ-CB 3.94Å; F1364-W1404 HydrophobicContact CZ-CG 4.37Å; S1401-W1404 PolarHBondContact O-NE1 2.86Å; I1402-W1404 HydrophobicContact CG1-CZ2 4.23Å; I1402-W1404 PolarHBondContact O-N 3.09Å; I1402-W1404 VanDerWaalsContact O-N 3.12Å; W1404-M1408 WeakPolarHBondContact O-CB 3.32Å; W1404-M1408 PolarHBondContact O-N 2.85Å |
| 1405 | L | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.7 | -42.8 | 177.1 | -174.2 | 62.7 | 0 | 0 | 0 | 111 | L1315 I1321 Y1325 I1402 V1403 V1407 M1408 H1409 | L1315-L1405 HydrophobicContact CD2-CD1 4.44Å; L1315-L1405 HydrophobicContact CD2-CD2 3.78Å; I1321-L1405 HydrophobicContact CD1-CG 4.28Å; Y1325-L1405 HydrophobicContact CE1-CD2 3.9Å; I1402-L1405 HydrophobicContact CD1-CD2 4.24Å; I1402-L1405 HydrophobicContact CG1-CB 4.05Å; I1402-L1405 HydrophobicContact CG1-CD2 4.25Å; I1402-L1405 WeakPolarHBondContact O-CB 3.15Å; I1402-L1405 PolarHBondContact O-N 2.71Å; V1403-L1405 VanDerWaalsContact C-N 3.26Å; V1403-L1405 PolarHBondContact O-N 3.45Å; L1405-V1407 VanDerWaalsContact C-N 3.33Å; L1405-V1407 PolarHBondContact O-N 3.31Å; L1405-M1408 WeakPolarHBondContact O-CB 3.44Å; L1405-M1408 PolarHBondContact O-N 3.02Å; L1405-H1409 PolarHBondContact O-CD2 3.49Å; L1405-H1409 PolarHBondContact O-N 2.98Å |
| 1406 | A | 91.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1321 E1398 V1403 H1409 R1410 | I1321-A1406 HydrophobicContact CD1-CB 4.28Å; E1398-A1406 HydrophobicContact CG-CB 4.06Å; V1403-A1406 PolarHBondContact O-N 3.37Å; A1406-H1409 PolarHBondContact O-N 3.43Å; A1406-R1410 WeakPolarHBondContact O-CG 3.46Å; A1406-R1410 PolarHBondContact O-N 3.49Å; A1406-R1410 PolarHBondContact O-NH1 3.25Å |
| 1407 | V | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | A1213 Y1214 A1217 V1403 L1405 R1410 I1411 | A1213-V1407 HydrophobicContact CB-CG2 4.07Å; Y1214-V1407 HydrophobicContact CD1-CG1 3.41Å; Y1214-V1407 VanDerWaalsContact CD1-CG1 3.41Å; Y1214-V1407 HydrophobicContact CE1-CG1 3.76Å; Y1214-V1407 HydrophobicContact CG-CG1 3.86Å; A1217-V1407 HydrophobicContact CB-CB 4.06Å; A1217-V1407 HydrophobicContact CB-CG1 3.69Å; V1403-V1407 HydrophobicContact CG2-CG2 4.21Å; V1403-V1407 WeakPolarHBondContact O-CG2 3.28Å; V1403-V1407 PolarHBondContact O-N 2.94Å; L1405-V1407 VanDerWaalsContact C-N 3.33Å; L1405-V1407 PolarHBondContact O-N 3.31Å; V1407-R1410 PolarHBondContact O-N 3.01Å; V1407-I1411 HydrophobicContact CG1-CD1 3.88Å; V1407-I1411 HydrophobicContact CG1-CG1 4.48Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.28Å; V1407-I1411 PolarHBondContact O-N 3.4Å |
| 1408 | M | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 175 | -178.4 | 176.2 | 168.5 | 0 | 0 | 111.6 | A1217 L1220 Q1224 L1316 W1404 L1405 R1410 I1411 I1412 | A1217-M1408 HydrophobicContact CB-CB 3.92Å; L1220-M1408 HydrophobicContact CB-CE 4.32Å; L1220-M1408 HydrophobicContact CB-SD 3.62Å; L1220-M1408 HydrophobicContact CD1-SD 4.39Å; Q1224-M1408 HydrophobicContact CB-CE 4.05Å; Q1224-M1408 VanDerWaalsContact CD-CE 3.46Å; Q1224-M1408 HydrophobicContact CG-CE 4.08Å; L1316-M1408 HydrophobicContact CD2-CE 4.15Å; W1404-M1408 WeakPolarHBondContact O-CB 3.32Å; W1404-M1408 PolarHBondContact O-N 2.85Å; L1405-M1408 WeakPolarHBondContact O-CB 3.44Å; L1405-M1408 PolarHBondContact O-N 3.02Å; M1408-R1410 VanDerWaalsContact C-N 3.35Å; M1408-R1410 PolarHBondContact O-N 2.96Å; M1408-I1411 PolarHBondContact O-N 3.13Å; M1408-I1412 HydrophobicContact CE-CD1 4.27Å; M1408-I1412 HydrophobicContact CG-CD1 4Å; M1408-I1412 VanDerWaalsContact O-CG1 3.29Å; M1408-I1412 WeakPolarHBondContact O-CG1 3.43Å; M1408-I1412 PolarHBondContact O-N 3.06Å |
| 1409 | H | 92.2 | Very high | 89.8 | Confident | 31 Ų | 31 | 31 Ų | 31 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.7 | -80.5 | -81.7 | 0 | 0 | 0 | 113.2 | A1319 I1321 K1324 L1405 A1406 I1411 A1413 | A1319-H1409 PolarHBondContact O-NE2 2.72Å; I1321-H1409 HydrophobicContact CB-CB 4.39Å; I1321-H1409 HydrophobicContact CD1-CB 4.21Å; K1324-H1409 WeakPolarHBondContact CE-NE2 3.24Å; K1324-H1409 PolarHBondContact NZ-NE2 2.86Å; L1405-H1409 PolarHBondContact O-CD2 3.49Å; L1405-H1409 PolarHBondContact O-N 2.98Å; A1406-H1409 PolarHBondContact O-N 3.43Å; H1409-I1411 VanDerWaalsContact C-N 3.35Å; H1409-A1413 WeakPolarHBondContact O-CB 3.39Å; H1409-A1413 PolarHBondContact O-N 3.02Å |
| 1410 | R | 91.8 | Very high | 89.9 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | 171.9 | -73.1 | -160.1 | -59.3 | -85.8 | 21.7 | 113 | E1398 A1406 V1407 M1408 S1414 E1468 | E1398-R1410 IonicContact OE1-CZ 2.74Å; E1398-R1410 IonicContact OE1-NH1 3.28Å; E1398-R1410 PolarHBondContact OE1-NH1 2.9Å; E1398-R1410 IonicContact OE1-NH2 2.84Å; E1398-R1410 IonicContact OE2-CZ 2.81Å; E1398-R1410 VanDerWaalsContact OE2-CZ 3.28Å; E1398-R1410 IonicContact OE2-NH1 3.97Å; E1398-R1410 PolarHBondContact OE2-NH1 3.25Å; E1398-R1410 IonicContact OE2-NH2 2.67Å; E1398-R1410 PolarHBondContact OE2-NH2 2.93Å; A1406-R1410 WeakPolarHBondContact O-CG 3.46Å; A1406-R1410 PolarHBondContact O-N 3.49Å; A1406-R1410 PolarHBondContact O-NH1 3.25Å; V1407-R1410 PolarHBondContact O-N 3.01Å; M1408-R1410 VanDerWaalsContact C-N 3.35Å; M1408-R1410 PolarHBondContact O-N 2.96Å; R1410-S1414 WeakPolarHBondContact O-CB 3.35Å; R1410-S1414 PolarHBondContact O-N 3.18Å; R1410-S1414 PolarHBondContact O-OG 3.27Å; R1410-E1468 WeakPolarHBondContact CD-OE1 3.35Å; R1410-E1468 IonicContact CZ-OE1 2.68Å; R1410-E1468 IonicContact NE-OE1 2.66Å; R1410-E1468 PolarHBondContact NE-OE1 3.31Å; R1410-E1468 IonicContact NH2-OE1 3.63Å |
| 1411 | I | 91.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.4 | -49.4 | 175.6 | -70.8 | 163.3 | 0 | 0 | 0 | 110.4 | Y1214 A1217 I1218 V1407 M1408 H1409 A1413 S1414 E1415 L1434 | Y1214-I1411 HydrophobicContact CD1-CD1 4.29Å; A1217-I1411 HydrophobicContact CB-CD1 3.74Å; I1218-I1411 HydrophobicContact CD1-CD1 4.27Å; I1218-I1411 HydrophobicContact CG1-CD1 3.69Å; V1407-I1411 HydrophobicContact CG1-CD1 3.88Å; V1407-I1411 HydrophobicContact CG1-CG1 4.48Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.28Å; V1407-I1411 PolarHBondContact O-N 3.4Å; M1408-I1411 PolarHBondContact O-N 3.13Å; H1409-I1411 VanDerWaalsContact C-N 3.35Å; I1411-A1413 VanDerWaalsContact C-N 3.33Å; I1411-A1413 PolarHBondContact O-N 3.33Å; I1411-S1414 CarbonylContact O-C 3.58Å; I1411-S1414 WeakPolarHBondContact O-CA 3.44Å; I1411-S1414 PolarHBondContact O-N 3.31Å; I1411-S1414 PolarHBondContact O-OG 3.45Å; I1411-E1415 PolarHBondContact O-N 3.03Å; I1411-L1434 HydrophobicContact CG1-CD1 4.05Å |
| 1412 | I | 91.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -51.4 | -52 | 176.2 | -69 | 163.1 | 0 | 0 | 0 | 110.5 | M1408 S1414 E1415 | M1408-I1412 HydrophobicContact CE-CD1 4.27Å; M1408-I1412 HydrophobicContact CG-CD1 4Å; M1408-I1412 VanDerWaalsContact O-CG1 3.29Å; M1408-I1412 WeakPolarHBondContact O-CG1 3.43Å; M1408-I1412 PolarHBondContact O-N 3.06Å; I1412-S1414 PolarHBondContact O-N 3.31Å; I1412-S1414 VanDerWaalsContact O-N 3.15Å; I1412-E1415 PolarHBondContact O-N 2.65Å |
| 1413 | A | 89.7 | Confident | 90.6 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1409 I1411 | H1409-A1413 WeakPolarHBondContact O-CB 3.39Å; H1409-A1413 PolarHBondContact O-N 3.02Å; I1411-A1413 VanDerWaalsContact C-N 3.33Å; I1411-A1413 PolarHBondContact O-N 3.33Å |
| 1414 | S | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -99.2 | -13.9 | -179.6 | 75.4 | 0 | 0 | 0 | 0 | 114.8 | R1410 I1411 I1412 N1416 E1417 G1433 L1434 C1470 | R1410-S1414 WeakPolarHBondContact O-CB 3.35Å; R1410-S1414 PolarHBondContact O-N 3.18Å; R1410-S1414 PolarHBondContact O-OG 3.27Å; I1411-S1414 CarbonylContact O-C 3.58Å; I1411-S1414 WeakPolarHBondContact O-CA 3.44Å; I1411-S1414 PolarHBondContact O-N 3.31Å; I1411-S1414 PolarHBondContact O-OG 3.45Å; I1412-S1414 PolarHBondContact O-N 3.31Å; I1412-S1414 VanDerWaalsContact O-N 3.15Å; S1414-N1416 PolarHBondContact O-N 3.16Å; S1414-E1417 PolarHBondContact O-N 2.75Å; S1414-G1433 WeakPolarHBondContact O-CA 3.43Å; S1414-L1434 VanDerWaalsContact CB-CD2 3.47Å; S1414-L1434 WeakPolarHBondContact OG-CD2 3.47Å; S1414-L1434 WeakPolarHBondContact OG-CG 3.15Å; S1414-C1470 WeakPolarHBondContact CA-O 3.44Å; S1414-C1470 WeakPolarHBondContact CB-O 3.43Å |
| 1415 | E | 87.2 | Confident | 90.7 | Very high | 67 Ų | 67 | 43.1 Ų | 43.1 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32.7 | -164.8 | -172.3 | 167.9 | -146.9 | 0 | 0 | 112.7 | R1221 K1225 I1411 I1412 | R1221-E1415 IonicContact CZ-OE2 3.37Å; R1221-E1415 IonicContact NE-OE2 2.63Å; R1221-E1415 PolarHBondContact NE-OE2 2.98Å; R1221-E1415 IonicContact NH2-OE2 2.69Å; R1221-E1415 PolarHBondContact NH2-OE2 3.43Å; K1225-E1415 IonicContact NZ-OE1 3.62Å; K1225-E1415 PolarHBondContact NZ-OE1 2.67Å; K1225-E1415 IonicContact NZ-OE2 2.77Å; K1225-E1415 PolarHBondContact NZ-OE2 3.11Å; I1411-E1415 PolarHBondContact O-N 3.03Å; I1412-E1415 PolarHBondContact O-N 2.65Å |
| 1416 | N | 86.9 | Confident | 90.8 | Very high | 134 Ų | 134 | 46.1 Ų | 46.1 | 72% | 0.717 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109 | -2.7 | 178.7 | -67.5 | -59.3 | 0 | 0 | 0 | 114.6 | S1414 | S1414-N1416 PolarHBondContact O-N 3.16Š|
| 1417 | E | 88.5 | Confident | 90.9 | Very high | 57 Ų | 57 | 51 Ų | 51 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | trans | -73 | 144.4 | -175.2 | -82 | -71.5 | 105.5 | 0 | 0 | 112.4 | S1414 V1432 G1433 L1471 S1472 | S1414-E1417 PolarHBondContact O-N 2.75Å; E1417-V1432 WeakPolarHBondContact O-CA 3.49Å; E1417-G1433 PolarHBondContact O-N 3.18Å; E1417-L1471 HydrophobicContact CG-CD2 4.29Å; E1417-S1472 WeakPolarHBondContact OE2-CA 3.44Å; E1417-S1472 WeakPolarHBondContact OE2-CB 3.32Å; E1417-S1472 PolarHBondContact OE2-N 3.46Å; E1417-S1472 PolarHBondContact OE2-OG 2.89Å | ||
| 1418 | K | 89.3 | Confident | 90.8 | Very high | 130 Ų | 130 | 54.1 Ų | 54.1 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 87.1 | -171.1 | -64.9 | -180 | -176.2 | 169.8 | 0 | 111.8 | Q1420 V1432 | K1418-Q1420 PolarHBondContact O-N 3.49Å; K1418-V1432 HydrophobicContact CG-CG2 4.32Å |
| 1419 | H | 87.6 | Confident | 90.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128.5 | 177.7 | -52.5 | -92.9 | 0 | 0 | 0 | 111.5 | A1421 P1430 I1431 G1433 R1435 Y1469 L1471 | H1419-A1421 PolarHBondContact O-N 2.74Å; H1419-P1430 WeakPolarHBondContact O-CB 3.2Å; H1419-I1431 HydrophobicContact CB-CB 4.32Å; H1419-I1431 PolarHBondContact N-O 3.09Å; H1419-I1431 PolarHBondContact O-N 2.94Å; H1419-G1433 PolarHBondContact CD2-O 3.3Å; H1419-G1433 VanDerWaalsContact CD2-O 3.25Å; H1419-G1433 PolarHBondContact NE2-O 2.82Å; H1419-R1435 HydrophobicContact CB-CB 4.2Å; H1419-Y1469 PolarHBondContact CE1-O 2.69Å; H1419-Y1469 PolarHBondContact NE2-O 3.01Å; H1419-L1471 PolarHBondContact CE1-O 2.85Å; H1419-L1471 VanDerWaalsContact CE1-O 3.28Å |
| 1420 | Q | 88.5 | Confident | 90.6 | Very high | 155 Ų | 155 | 60.1 Ų | 60.1 | 72% | 0.724 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -74 | 41.9 | 177.8 | -62.7 | -66.4 | -13.8 | 0 | 0 | 113.4 | K1418 | K1418-Q1420 PolarHBondContact O-N 3.49Š|
| 1421 | A | 87.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | trans | -121.2 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1419 F1429 I1431 D1445 | H1419-A1421 PolarHBondContact O-N 2.74Å; A1421-F1429 WeakPolarHBondContact O-CD2 3.37Å; A1421-I1431 HydrophobicContact CB-CD1 4.22Å; A1421-I1431 WeakPolarHBondContact O-CG1 3.29Å; A1421-I1431 PolarHBondContact O-N 3.5Å; A1421-D1445 HydrophobicContact CB-CB 4.45Å | ||
| 1422 | K | 92 | Very high | 90.5 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | trans | -112.4 | 125.7 | -179.8 | 179.8 | 158.2 | -174.9 | 157.8 | 0 | 110 | N1424 K1427 M1428 F1429 | K1422-N1424 PolarHBondContact O-N 3.27Å; K1422-N1424 PolarHBondContact O-OD1 2.97Å; K1422-K1427 VanDerWaalsContact CE-O 3.24Å; K1422-K1427 WeakPolarHBondContact CE-O 3.39Å; K1422-M1428 WeakPolarHBondContact CA-O 3.21Å; K1422-F1429 HydrophobicContact CB-CB 4.04Å; K1422-F1429 HydrophobicContact CB-CD2 3.83Å; K1422-F1429 HydrophobicContact CB-CG 4.29Å; K1422-F1429 HydrophobicContact CD-CB 4.02Å; K1422-F1429 HydrophobicContact CD-CG 4.5Å; K1422-F1429 HydrophobicContact CG-CB 3.95Å | ||
| 1423 | C | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -62.9 | 119.2 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | V1425 C1426 K1427 M1428 I1431 C1447 | C1423-V1425 PolarHBondContact O-N 3.41Å; C1423-C1426 PolarHBondContact SG-N 3.43Å; C1423-K1427 WeakPolarHBondContact O-CA 3.32Å; C1423-K1427 PolarHBondContact O-N 3.36Å; C1423-M1428 HydrophobicContact CB-CB 4.42Å; C1423-M1428 PolarHBondContact N-O 3.05Å; C1423-I1431 HydrophobicContact CB-CD1 4.16Å; C1423-I1431 HydrophobicContact CB-CG1 4.24Å; C1423-C1447 HydrophobicContact CB-CB 4.34Å | ||
| 1424 | N | 93.2 | Very high | 90.6 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.8 | -178.9 | -69.5 | 55.1 | 0 | 0 | 0 | 112.3 | K1422 K1427 N1443 F1444 D1445 | K1422-N1424 PolarHBondContact O-N 3.27Å; K1422-N1424 PolarHBondContact O-OD1 2.97Å; N1424-K1427 PolarHBondContact O-NZ 3.47Å; N1424-N1443 PolarHBondContact ND2-O 3.48Å; N1424-N1443 VanDerWaalsContact ND2-O 3.08Å; N1424-F1444 HydrophobicContact CB-CD1 4.5Å; N1424-F1444 HydrophobicContact CB-CD2 3.68Å; N1424-F1444 HydrophobicContact CB-CE1 4.42Å; N1424-F1444 HydrophobicContact CB-CE2 3.57Å; N1424-F1444 HydrophobicContact CB-CG 4.15Å; N1424-F1444 HydrophobicContact CB-CZ 3.96Å; N1424-D1445 WeakPolarHBondContact CB-O 3.48Å; N1424-D1445 PolarHBondContact N-O 2.91Å; N1424-D1445 PolarHBondContact OD1-N 3.35Å; N1424-D1445 PolarHBondContact OD1-O 3.45Å |
| 1425 | V | 91.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -83.6 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | C1423 K1427 F1444 M1446 C1450 R1455 A1457 | C1423-V1425 PolarHBondContact O-N 3.41Å; V1425-K1427 VanDerWaalsContact C-N 3.29Å; V1425-K1427 PolarHBondContact O-N 2.89Å; V1425-K1427 PolarHBondContact O-NZ 3.39Å; V1425-F1444 HydrophobicContact CG2-CZ 4.25Å; V1425-M1446 HydrophobicContact CG2-CE 4.29Å; V1425-M1446 HydrophobicContact CG2-CG 4.19Å; V1425-C1450 HydrophobicContact CB-CB 4.1Å; V1425-C1450 HydrophobicContact CG1-CB 4.32Å; V1425-C1450 HydrophobicContact CG2-CB 4.44Å; V1425-R1455 HydrophobicContact CG1-CB 3.85Å; V1425-A1457 HydrophobicContact CG2-CB 3.92Å |
| 1426 | C | 93.7 | Very high | 90.8 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.8 | -173.6 | 68.3 | 0 | 0 | 0 | 0 | 115.5 | C1423 M1428 C1450 | C1423-C1426 PolarHBondContact SG-N 3.43Å; C1426-M1428 PolarHBondContact O-N 3.13Å; C1426-M1428 VanDerWaalsContact SG-CB 3.6Å; C1426-C1450 VanDerWaalsContact CB-SG 3.57Å |
| 1427 | K | 93.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | 67.7 | 6 | -179.9 | -45.4 | -60.1 | -178.1 | -80.3 | 0 | 116.2 | K1422 C1423 N1424 V1425 F1429 | K1422-K1427 VanDerWaalsContact CE-O 3.24Å; K1422-K1427 WeakPolarHBondContact CE-O 3.39Å; C1423-K1427 WeakPolarHBondContact O-CA 3.32Å; C1423-K1427 PolarHBondContact O-N 3.36Å; N1424-K1427 PolarHBondContact O-NZ 3.47Å; V1425-K1427 VanDerWaalsContact C-N 3.29Å; V1425-K1427 PolarHBondContact O-N 2.89Å; V1425-K1427 PolarHBondContact O-NZ 3.39Å; K1427-F1429 PolarHBondContact O-N 3.02Å | ||
| 1428 | M | 90.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | trans | -51.7 | 131.8 | 170.5 | -171.3 | 167.7 | 88.1 | 0 | 0 | 111.3 | K1422 C1423 C1426 I1431 C1447 | K1422-M1428 WeakPolarHBondContact CA-O 3.21Å; C1423-M1428 HydrophobicContact CB-CB 4.42Å; C1423-M1428 PolarHBondContact N-O 3.05Å; C1426-M1428 PolarHBondContact O-N 3.13Å; C1426-M1428 VanDerWaalsContact SG-CB 3.6Å; M1428-I1431 HydrophobicContact CE-CG2 4.4Å; M1428-C1447 HydrophobicContact CE-CB 3.49Å; M1428-C1447 VanDerWaalsContact CE-CB 3.49Å | ||
| 1429 | F | 90.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 40.5 Ų | 40.5 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -154.6 | 130.1 | -179.8 | 173.5 | -97.9 | 0 | 0 | 0 | 109.5 | A1421 K1422 K1427 | A1421-F1429 WeakPolarHBondContact O-CD2 3.37Å; K1422-F1429 HydrophobicContact CB-CB 4.04Å; K1422-F1429 HydrophobicContact CB-CD2 3.83Å; K1422-F1429 HydrophobicContact CB-CG 4.29Å; K1422-F1429 HydrophobicContact CD-CB 4.02Å; K1422-F1429 HydrophobicContact CD-CG 4.5Å; K1422-F1429 HydrophobicContact CG-CB 3.95Å; K1427-F1429 PolarHBondContact O-N 3.02Å |
| 1430 | P | 90.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 45 Ų | 45 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | S | Bend | cis | -58.1 | 165.2 | -13.4 | 27.8 | -35.8 | 0 | 0 | 0 | 111.6 | H1419 V1432 | H1419-P1430 WeakPolarHBondContact O-CB 3.2Å; P1430-V1432 PolarHBondContact O-N 3.31Å |
| 1431 | I | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.8 | 167.2 | -69.9 | 170.6 | 0 | 0 | 0 | 107.2 | H1419 A1421 C1423 M1428 R1435 D1445 C1447 | H1419-I1431 HydrophobicContact CB-CB 4.32Å; H1419-I1431 PolarHBondContact N-O 3.09Å; H1419-I1431 PolarHBondContact O-N 2.94Å; A1421-I1431 HydrophobicContact CB-CD1 4.22Å; A1421-I1431 WeakPolarHBondContact O-CG1 3.29Å; A1421-I1431 PolarHBondContact O-N 3.5Å; C1423-I1431 HydrophobicContact CB-CD1 4.16Å; C1423-I1431 HydrophobicContact CB-CG1 4.24Å; M1428-I1431 HydrophobicContact CE-CG2 4.4Å; I1431-R1435 HydrophobicContact CG2-CB 4.27Å; I1431-D1445 HydrophobicContact CD1-CB 4.3Å; I1431-C1447 HydrophobicContact CD1-CB 4.42Å; I1431-C1447 HydrophobicContact CG1-CB 4.12Å; I1431-C1447 HydrophobicContact CG2-CB 3.74Å |
| 1432 | V | 90.4 | Very high | 89.8 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 35% | 0.352 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.3 | 168.9 | -166.3 | 0 | 0 | 0 | 0 | 108.5 | E1417 K1418 P1430 | E1417-V1432 WeakPolarHBondContact O-CA 3.49Å; K1418-V1432 HydrophobicContact CG-CG2 4.32Å; P1430-V1432 PolarHBondContact O-N 3.31Å |
| 1433 | G | 90.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 73 | -171.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1414 E1417 H1419 R1435 | S1414-G1433 WeakPolarHBondContact O-CA 3.43Å; E1417-G1433 PolarHBondContact O-N 3.18Å; H1419-G1433 PolarHBondContact CD2-O 3.3Å; H1419-G1433 VanDerWaalsContact CD2-O 3.25Å; H1419-G1433 PolarHBondContact NE2-O 2.82Å; G1433-R1435 PolarHBondContact O-N 3.01Å |
| 1434 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -54.4 | 126.2 | -170.5 | -58.9 | 171.1 | 0 | 0 | 0 | 112.9 | Y1214 I1411 S1414 Y1436 Q1448 F1452 E1468 C1470 | Y1214-L1434 HydrophobicContact CD1-CD1 4.35Å; Y1214-L1434 HydrophobicContact CE1-CD1 4.01Å; I1411-L1434 HydrophobicContact CG1-CD1 4.05Å; S1414-L1434 VanDerWaalsContact CB-CD2 3.47Å; S1414-L1434 WeakPolarHBondContact OG-CD2 3.47Å; S1414-L1434 WeakPolarHBondContact OG-CG 3.15Å; L1434-Y1436 HydrophobicContact CB-CD2 4.42Å; L1434-Y1436 HydrophobicContact CB-CE2 3.61Å; L1434-Y1436 HydrophobicContact CD1-CE2 4.48Å; L1434-Y1436 VanDerWaalsContact CD1-OH 3.23Å; L1434-Y1436 WeakPolarHBondContact CD1-OH 3.36Å; L1434-Q1448 HydrophobicContact CB-CB 3.98Å; L1434-Q1448 PolarHBondContact O-N 2.76Å; L1434-F1452 HydrophobicContact CD1-CZ 4.11Å; L1434-E1468 HydrophobicContact CD2-CG 4.34Å; L1434-C1470 HydrophobicContact CD2-CB 3.86Å; L1434-C1470 VanDerWaalsContact CD2-SG 3.57Å | ||
| 1435 | R | 91.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.5 | 171.2 | 172.1 | -173.5 | -177.6 | -162.1 | 1.5 | 109.9 | H1419 I1431 G1433 D1445 Y1469 T1473 D1478 | H1419-R1435 HydrophobicContact CB-CB 4.2Å; I1431-R1435 HydrophobicContact CG2-CB 4.27Å; G1433-R1435 PolarHBondContact O-N 3.01Å; R1435-D1445 IonicContact CZ-OD1 3.34Å; R1435-D1445 IonicContact NE-OD1 3.04Å; R1435-D1445 PolarHBondContact NE-OD1 3.43Å; R1435-D1445 VanDerWaalsContact NH2-CG 3.32Å; R1435-D1445 IonicContact NH2-OD1 3.21Å; R1435-D1445 PolarHBondContact NH2-OD1 3.29Å; R1435-D1445 IonicContact NH2-OD2 2.67Å; R1435-D1445 PolarHBondContact NH2-OD2 3.33Å; R1435-Y1469 PolarHBondContact N-O 2.78Å; R1435-Y1469 VanDerWaalsContact N-O 3.11Å; R1435-Y1469 PolarHBondContact O-N 3.33Å; R1435-T1473 PolarHBondContact NH1-OG1 2.8Å; R1435-D1478 IonicContact CZ-OD1 3.81Å; R1435-D1478 IonicContact NH1-OD1 2.64Å; R1435-D1478 PolarHBondContact NH1-OD1 3.03Å; R1435-D1478 IonicContact NH1-OD2 3.94Å; R1435-D1478 IonicContact NH2-OD1 2.72Å; R1435-D1478 PolarHBondContact NH2-OD1 3.28Å |
| 1436 | Y | 91.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.3 | 174.9 | -65.1 | -85.1 | 0 | 0 | 0 | 110.8 | Y1214 L1434 D1445 M1446 Q1448 F1451 F1452 M1466 Q1467 E1468 | Y1214-Y1436 VanDerWaalsContact CE1-OH 3.24Å; Y1214-Y1436 WeakPolarHBondContact CE1-OH 3.42Å; L1434-Y1436 HydrophobicContact CB-CD2 4.42Å; L1434-Y1436 HydrophobicContact CB-CE2 3.61Å; L1434-Y1436 HydrophobicContact CD1-CE2 4.48Å; L1434-Y1436 VanDerWaalsContact CD1-OH 3.23Å; L1434-Y1436 WeakPolarHBondContact CD1-OH 3.36Å; Y1436-D1445 CarbonylContact O-C 3.59Å; Y1436-D1445 WeakPolarHBondContact O-CA 3.48Å; Y1436-M1446 PolarHBondContact N-O 2.74Å; Y1436-M1446 PolarHBondContact O-N 3.41Å; Y1436-Q1448 HydrophobicContact CE2-CB 4.12Å; Y1436-F1451 AromaticContact CD1-CD1 3.81Å; Y1436-F1451 HydrophobicContact CD1-CD1 3.81Å; Y1436-F1451 HydrophobicContact CD1-CD2 4.09Å; Y1436-F1451 AromaticContact CD1-CE1 3.88Å; Y1436-F1451 HydrophobicContact CD1-CE1 3.88Å; Y1436-F1451 HydrophobicContact CD1-CE2 4.16Å; Y1436-F1451 AromaticContact CD1-CG 3.92Å; Y1436-F1451 HydrophobicContact CD1-CG 3.92Å; Y1436-F1451 HydrophobicContact CD1-CZ 4.05Å; Y1436-F1451 HydrophobicContact CD2-CB 3.54Å; Y1436-F1451 AromaticContact CD2-CD1 3.84Å; Y1436-F1451 HydrophobicContact CD2-CD1 3.84Å; Y1436-F1451 HydrophobicContact CD2-CD2 4.4Å; Y1436-F1451 AromaticContact CD2-CG 3.67Å; Y1436-F1451 HydrophobicContact CD2-CG 3.67Å; Y1436-F1451 AromaticContact CE1-CD1 3.5Å; Y1436-F1451 HydrophobicContact CE1-CD1 3.5Å; Y1436-F1451 AromaticContact CE1-CE1 3.44Å; Y1436-F1451 HydrophobicContact CE1-CE1 3.44Å; Y1436-F1451 VanDerWaalsContact CE1-CE1 3.44Å; Y1436-F1451 HydrophobicContact CE1-CG 4.1Å; Y1436-F1451 HydrophobicContact CE1-CZ 4Å; Y1436-F1451 HydrophobicContact CE2-CB 3.85Å; Y1436-F1451 AromaticContact CE2-CD1 3.52Å; Y1436-F1451 HydrophobicContact CE2-CD1 3.52Å; Y1436-F1451 HydrophobicContact CE2-CE1 4.32Å; Y1436-F1451 AromaticContact CE2-CG 3.85Å; Y1436-F1451 HydrophobicContact CE2-CG 3.85Å; Y1436-F1451 HydrophobicContact CG-CB 3.98Å; Y1436-F1451 AromaticContact CG-CD1 3.96Å; Y1436-F1451 HydrophobicContact CG-CD1 3.96Å; Y1436-F1451 AromaticContact CG-CD2 3.99Å; Y1436-F1451 HydrophobicContact CG-CD2 3.99Å; Y1436-F1451 HydrophobicContact CG-CE1 4.47Å; Y1436-F1451 AromaticContact CG-CG 3.7Å; Y1436-F1451 HydrophobicContact CG-CG 3.7Å; Y1436-F1451 AromaticContact CZ-CD1 3.35Å; Y1436-F1451 AromaticContact CZ-CE1 3.69Å; Y1436-F1452 HydrophobicContact CE2-CE1 4.41Å; Y1436-F1452 WeakPolarHBondContact OH-CE1 3.32Å; Y1436-M1466 VanDerWaalsContact O-CE 3.27Å; Y1436-M1466 WeakPolarHBondContact O-CE 3.45Å; Y1436-Q1467 CarbonylContact C-O 3.55Å; Y1436-Q1467 WeakPolarHBondContact CA-O 3.25Å; Y1436-E1468 HydrophobicContact CD1-CB 4.1Å; Y1436-E1468 HydrophobicContact CD1-CG 4.45Å; Y1436-E1468 HydrophobicContact CE1-CB 3.76Å; Y1436-E1468 HydrophobicContact CE1-CG 3.8Å; Y1436-E1468 WeakPolarHBondContact CE1-OE2 3.23Å; Y1436-E1468 PolarHBondContact OH-OE2 2.94Å |
| 1437 | R | 88.6 | Confident | 89.1 | Confident | 21 Ų | 21 | 39 Ų | 39 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.8 | -178.8 | -171.6 | 171.6 | 177.5 | 120.2 | 24.8 | 111.4 | L1439 N1443 M1466 Q1467 Y1469 D1478 D1481 | R1437-L1439 PolarHBondContact O-N 2.93Å; R1437-N1443 PolarHBondContact NH2-OD1 2.98Å; R1437-M1466 CarbonylContact O-C 3.55Å; R1437-M1466 WeakPolarHBondContact O-CA 3.31Å; R1437-Q1467 PolarHBondContact N-O 3.24Å; R1437-Q1467 PolarHBondContact O-N 3.08Å; R1437-Y1469 HydrophobicContact CB-CD2 4.48Å; R1437-Y1469 HydrophobicContact CB-CE2 4.13Å; R1437-D1478 IonicContact CZ-OD1 3.68Å; R1437-D1478 IonicContact NH1-OD1 2.72Å; R1437-D1478 PolarHBondContact NH1-OD1 2.91Å; R1437-D1481 WeakPolarHBondContact CD-OD2 3.39Å |
| 1438 | C | 87.9 | Confident | 89 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.1 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | K1440 C1441 F1444 H1460 M1466 | C1438-K1440 PolarHBondContact O-N 3.45Å; C1438-C1441 HydrophobicContact CB-CB 4Å; C1438-C1441 VanDerWaalsContact SG-CB 3.57Å; C1438-C1441 PolarHBondContact SG-N 2.79Å; C1438-C1441 VanDerWaalsContact SG-SG 3.65Å; C1438-F1444 HydrophobicContact CB-CB 4.07Å; C1438-F1444 HydrophobicContact CB-CD1 4.12Å; C1438-F1444 WeakPolarHBondContact CB-O 3.31Å; C1438-F1444 PolarHBondContact N-O 3.02Å; C1438-H1460 VanDerWaalsContact SG-CE1 3.59Å; C1438-H1460 PolarHBondContact SG-ND1 3.24Å; C1438-M1466 WeakPolarHBondContact CA-SD 3.4Å; C1438-M1466 HydrophobicContact CB-CE 4.26Å; C1438-M1466 HydrophobicContact CB-SD 3.58Å; C1438-M1466 VanDerWaalsContact CB-SD 3.58Å |
| 1439 | L | 85.2 | Confident | 89 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -80 | 26.4 | 179.1 | -59.9 | 179.9 | 0 | 0 | 0 | 113.8 | R1437 P1465 Q1467 D1481 L1484 N1488 | R1437-L1439 PolarHBondContact O-N 2.93Å; L1439-P1465 HydrophobicContact CB-CB 4.48Å; L1439-P1465 HydrophobicContact CB-CG 4.23Å; L1439-P1465 PolarHBondContact N-O 2.91Å; L1439-Q1467 HydrophobicContact CD1-CB 4.15Å; L1439-Q1467 HydrophobicContact CD2-CB 3.99Å; L1439-Q1467 HydrophobicContact CG-CB 4.03Å; L1439-D1481 HydrophobicContact CD2-CB 4.03Å; L1439-L1484 HydrophobicContact CD2-CB 4.48Å; L1439-N1488 PolarHBondContact O-ND2 3.1Å |
| 1440 | K | 81.8 | Confident | 89 | Confident | 97 Ų | 97 | 31.7 Ų | 31.7 | 42% | 0.422 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -151 | -36 | -178.5 | -172.6 | 180 | 171.7 | -162.9 | 0 | 113.9 | C1438 H1464 | C1438-K1440 PolarHBondContact O-N 3.45Å; K1440-H1464 PolarHBondContact NZ-CD2 3.47Å; K1440-H1464 PolarHBondContact NZ-NE2 2.92Å |
| 1441 | C | 83.9 | Confident | 89 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 17% | 0.169 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -92.3 | 118.7 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | C1438 N1443 F1444 H1464 | C1438-C1441 HydrophobicContact CB-CB 4Å; C1438-C1441 VanDerWaalsContact SG-CB 3.57Å; C1438-C1441 PolarHBondContact SG-N 2.79Å; C1438-C1441 VanDerWaalsContact SG-SG 3.65Å; C1441-N1443 PolarHBondContact O-N 3.34Å; C1441-F1444 HydrophobicContact CB-CB 3.59Å; C1441-F1444 HydrophobicContact CB-CG 4.13Å; C1441-F1444 PolarHBondContact O-N 2.92Å; C1441-H1464 PolarHBondContact SG-ND1 2.87Å |
| 1442 | F | 81.4 | Confident | 88.9 | Confident | 142 Ų | 142 | 31.8 Ų | 31.8 | 62% | 0.623 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 128.7 | -178.3 | 178.7 | -101 | 0 | 0 | 0 | 111.4 | F1444 F1482 | F1442-F1444 VanDerWaalsContact C-N 3.3Å; F1442-F1444 PolarHBondContact O-N 2.98Å; F1442-F1482 HydrophobicContact CD2-CD2 4.24Å; F1442-F1482 HydrophobicContact CD2-CE2 4.07Å; F1442-F1482 AromaticContact CE2-CD2 3.93Å; F1442-F1482 HydrophobicContact CE2-CD2 3.93Å; F1442-F1482 AromaticContact CE2-CE2 3.7Å; F1442-F1482 HydrophobicContact CE2-CE2 3.7Å |
| 1443 | N | 83 | Confident | 88.7 | Confident | 85 Ų | 85 | 30.7 Ų | 30.7 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 50.5 | -180 | -137.7 | 56.8 | 0 | 0 | 0 | 114 | N1424 R1437 C1441 | N1424-N1443 PolarHBondContact ND2-O 3.48Å; N1424-N1443 VanDerWaalsContact ND2-O 3.08Å; R1437-N1443 PolarHBondContact NH2-OD1 2.98Å; C1441-N1443 PolarHBondContact O-N 3.34Å |
| 1444 | F | 90.2 | Very high | 88.5 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | trans | -113.2 | 107.1 | 176.1 | -167.9 | -81.5 | 0 | 0 | 0 | 110.8 | N1424 V1425 C1438 C1441 F1442 M1446 A1457 K1458 H1460 | N1424-F1444 HydrophobicContact CB-CD1 4.5Å; N1424-F1444 HydrophobicContact CB-CD2 3.68Å; N1424-F1444 HydrophobicContact CB-CE1 4.42Å; N1424-F1444 HydrophobicContact CB-CE2 3.57Å; N1424-F1444 HydrophobicContact CB-CG 4.15Å; N1424-F1444 HydrophobicContact CB-CZ 3.96Å; V1425-F1444 HydrophobicContact CG2-CZ 4.25Å; C1438-F1444 HydrophobicContact CB-CB 4.07Å; C1438-F1444 HydrophobicContact CB-CD1 4.12Å; C1438-F1444 WeakPolarHBondContact CB-O 3.31Å; C1438-F1444 PolarHBondContact N-O 3.02Å; C1441-F1444 HydrophobicContact CB-CB 3.59Å; C1441-F1444 HydrophobicContact CB-CG 4.13Å; C1441-F1444 PolarHBondContact O-N 2.92Å; F1442-F1444 VanDerWaalsContact C-N 3.3Å; F1442-F1444 PolarHBondContact O-N 2.98Å; F1444-M1446 HydrophobicContact CD1-CG 4.31Å; F1444-M1446 HydrophobicContact CE1-CG 3.69Å; F1444-M1446 HydrophobicContact CE1-SD 3.76Å; F1444-A1457 HydrophobicContact CE2-CB 4.42Å; F1444-A1457 VanDerWaalsContact CE2-O 3.32Å; F1444-A1457 WeakPolarHBondContact CE2-O 3.35Å; F1444-A1457 HydrophobicContact CZ-CB 4.33Å; F1444-K1458 HydrophobicContact CE2-CB 4.3Å; F1444-H1460 HydrophobicContact CD1-CB 4.17Å; F1444-H1460 AromaticContact CD1-CG 3.91Å; F1444-H1460 AromaticContact CD1-ND1 3.68Å; F1444-H1460 HydrophobicContact CD2-CB 4.23Å; F1444-H1460 HydrophobicContact CE1-CB 3.63Å; F1444-H1460 AromaticContact CE1-CD2 3.89Å; F1444-H1460 AromaticContact CE1-CG 3.42Å; F1444-H1460 VanDerWaalsContact CE1-CG 3.42Å; F1444-H1460 AromaticContact CE1-ND1 3.65Å; F1444-H1460 HydrophobicContact CE2-CB 3.72Å; F1444-H1460 HydrophobicContact CG-CB 4.45Å; F1444-H1460 HydrophobicContact CZ-CB 3.39Å; F1444-H1460 AromaticContact CZ-CG 3.73Å | ||
| 1445 | D | 91.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 147.2 | -179.7 | -72.3 | -79.1 | 0 | 0 | 0 | 111.1 | A1421 N1424 I1431 R1435 Y1436 | A1421-D1445 HydrophobicContact CB-CB 4.45Å; N1424-D1445 WeakPolarHBondContact CB-O 3.48Å; N1424-D1445 PolarHBondContact N-O 2.91Å; N1424-D1445 PolarHBondContact OD1-N 3.35Å; N1424-D1445 PolarHBondContact OD1-O 3.45Å; I1431-D1445 HydrophobicContact CD1-CB 4.3Å; R1435-D1445 IonicContact CZ-OD1 3.34Å; R1435-D1445 IonicContact NE-OD1 3.04Å; R1435-D1445 PolarHBondContact NE-OD1 3.43Å; R1435-D1445 VanDerWaalsContact NH2-CG 3.32Å; R1435-D1445 IonicContact NH2-OD1 3.21Å; R1435-D1445 PolarHBondContact NH2-OD1 3.29Å; R1435-D1445 IonicContact NH2-OD2 2.67Å; R1435-D1445 PolarHBondContact NH2-OD2 3.33Å; Y1436-D1445 CarbonylContact O-C 3.59Å; Y1436-D1445 WeakPolarHBondContact O-CA 3.48Å |
| 1446 | M | 92.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.4 | 175.3 | -66.8 | 175 | 65.6 | 0 | 0 | 109.5 | V1425 Y1436 F1444 C1450 F1451 R1455 M1466 | V1425-M1446 HydrophobicContact CG2-CE 4.29Å; V1425-M1446 HydrophobicContact CG2-CG 4.19Å; Y1436-M1446 PolarHBondContact N-O 2.74Å; Y1436-M1446 PolarHBondContact O-N 3.41Å; F1444-M1446 HydrophobicContact CD1-CG 4.31Å; F1444-M1446 HydrophobicContact CE1-CG 3.69Å; F1444-M1446 HydrophobicContact CE1-SD 3.76Å; M1446-C1450 HydrophobicContact CE-CB 3.97Å; M1446-C1450 VanDerWaalsContact CE-O 3.31Å; M1446-C1450 WeakPolarHBondContact CE-O 3.28Å; M1446-F1451 HydrophobicContact CE-CB 4.29Å; M1446-R1455 WeakPolarHBondContact CE-O 3.29Å; M1446-M1466 HydrophobicContact CB-CE 4.35Å; M1446-M1466 HydrophobicContact CG-CE 4.23Å; M1446-M1466 HydrophobicContact SD-CE 3.9Å |
| 1447 | C | 93.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 161.4 | 164.8 | 63 | 0 | 0 | 0 | 0 | 111 | C1423 M1428 I1431 N1449 C1450 F1451 | C1423-C1447 HydrophobicContact CB-CB 4.34Å; M1428-C1447 HydrophobicContact CE-CB 3.49Å; M1428-C1447 VanDerWaalsContact CE-CB 3.49Å; I1431-C1447 HydrophobicContact CD1-CB 4.42Å; I1431-C1447 HydrophobicContact CG1-CB 4.12Å; I1431-C1447 HydrophobicContact CG2-CB 3.74Å; C1447-N1449 VanDerWaalsContact C-N 3.33Å; C1447-N1449 PolarHBondContact O-N 3.5Å; C1447-C1450 PolarHBondContact O-N 3.02Å; C1447-F1451 PolarHBondContact O-N 3.05Å |
| 1448 | Q | 91.5 | Very high | 87.3 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -48 | -48.7 | 179.3 | 80.8 | -169.3 | 16.6 | 0 | 0 | 113.5 | L1434 Y1436 C1450 F1451 F1452 | L1434-Q1448 HydrophobicContact CB-CB 3.98Å; L1434-Q1448 PolarHBondContact O-N 2.76Å; Y1436-Q1448 HydrophobicContact CE2-CB 4.12Å; Q1448-C1450 PolarHBondContact O-N 3.08Å; Q1448-C1450 VanDerWaalsContact O-N 3.15Å; Q1448-F1451 PolarHBondContact O-N 3.06Å; Q1448-F1452 HydrophobicContact CB-CD2 4.2Å; Q1448-F1452 HydrophobicContact CB-CE1 4.42Å; Q1448-F1452 HydrophobicContact CB-CE2 3.7Å; Q1448-F1452 HydrophobicContact CB-CZ 3.83Å; Q1448-F1452 HydrophobicContact CG-CD2 4.37Å; Q1448-F1452 HydrophobicContact CG-CE2 3.9Å; Q1448-F1452 HydrophobicContact CG-CZ 4.48Å; Q1448-F1452 WeakPolarHBondContact O-CB 3.42Å; Q1448-F1452 VanDerWaalsContact O-CG 3.24Å; Q1448-F1452 WeakPolarHBondContact O-CG 3.35Å; Q1448-F1452 PolarHBondContact O-N 3.18Å |
| 1449 | N | 90 | Very high | 86.8 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -30.2 | -178.8 | -57.6 | 21.6 | 0 | 0 | 0 | 113 | C1447 A1453 | C1447-N1449 VanDerWaalsContact C-N 3.33Å; C1447-N1449 PolarHBondContact O-N 3.5Å; N1449-A1453 WeakPolarHBondContact O-CB 3.32Å |
| 1450 | C | 91.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.4 | -32.9 | 174.7 | -71 | 0 | 0 | 0 | 0 | 112.5 | V1425 C1426 M1446 C1447 Q1448 Q1454 R1455 | V1425-C1450 HydrophobicContact CB-CB 4.1Å; V1425-C1450 HydrophobicContact CG1-CB 4.32Å; V1425-C1450 HydrophobicContact CG2-CB 4.44Å; C1426-C1450 VanDerWaalsContact CB-SG 3.57Å; M1446-C1450 HydrophobicContact CE-CB 3.97Å; M1446-C1450 VanDerWaalsContact CE-O 3.31Å; M1446-C1450 WeakPolarHBondContact CE-O 3.28Å; C1447-C1450 PolarHBondContact O-N 3.02Å; Q1448-C1450 PolarHBondContact O-N 3.08Å; Q1448-C1450 VanDerWaalsContact O-N 3.15Å; C1450-Q1454 PolarHBondContact O-N 2.77Å; C1450-R1455 PolarHBondContact O-N 3.39Å |
| 1451 | F | 90.8 | Very high | 86.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.7 | -50.3 | 178.1 | -179 | -105.6 | 0 | 0 | 0 | 111.4 | F1211 Y1436 M1446 C1447 Q1448 A1453 Q1454 M1466 | F1211-F1451 HydrophobicContact CD2-CE1 4.41Å; F1211-F1451 HydrophobicContact CE2-CD1 4.37Å; F1211-F1451 HydrophobicContact CE2-CE1 4.05Å; F1211-F1451 HydrophobicContact CE2-CZ 4.23Å; F1211-F1451 WeakPolarHBondContact CE2-O 3.42Å; F1211-F1451 HydrophobicContact CZ-CE1 4.43Å; F1211-F1451 HydrophobicContact CZ-CZ 4.19Å; Y1436-F1451 AromaticContact CD1-CD1 3.81Å; Y1436-F1451 HydrophobicContact CD1-CD1 3.81Å; Y1436-F1451 HydrophobicContact CD1-CD2 4.09Å; Y1436-F1451 AromaticContact CD1-CE1 3.88Å; Y1436-F1451 HydrophobicContact CD1-CE1 3.88Å; Y1436-F1451 HydrophobicContact CD1-CE2 4.16Å; Y1436-F1451 AromaticContact CD1-CG 3.92Å; Y1436-F1451 HydrophobicContact CD1-CG 3.92Å; Y1436-F1451 HydrophobicContact CD1-CZ 4.05Å; Y1436-F1451 HydrophobicContact CD2-CB 3.54Å; Y1436-F1451 AromaticContact CD2-CD1 3.84Å; Y1436-F1451 HydrophobicContact CD2-CD1 3.84Å; Y1436-F1451 HydrophobicContact CD2-CD2 4.4Å; Y1436-F1451 AromaticContact CD2-CG 3.67Å; Y1436-F1451 HydrophobicContact CD2-CG 3.67Å; Y1436-F1451 AromaticContact CE1-CD1 3.5Å; Y1436-F1451 HydrophobicContact CE1-CD1 3.5Å; Y1436-F1451 AromaticContact CE1-CE1 3.44Å; Y1436-F1451 HydrophobicContact CE1-CE1 3.44Å; Y1436-F1451 VanDerWaalsContact CE1-CE1 3.44Å; Y1436-F1451 HydrophobicContact CE1-CG 4.1Å; Y1436-F1451 HydrophobicContact CE1-CZ 4Å; Y1436-F1451 HydrophobicContact CE2-CB 3.85Å; Y1436-F1451 AromaticContact CE2-CD1 3.52Å; Y1436-F1451 HydrophobicContact CE2-CD1 3.52Å; Y1436-F1451 HydrophobicContact CE2-CE1 4.32Å; Y1436-F1451 AromaticContact CE2-CG 3.85Å; Y1436-F1451 HydrophobicContact CE2-CG 3.85Å; Y1436-F1451 HydrophobicContact CG-CB 3.98Å; Y1436-F1451 AromaticContact CG-CD1 3.96Å; Y1436-F1451 HydrophobicContact CG-CD1 3.96Å; Y1436-F1451 AromaticContact CG-CD2 3.99Å; Y1436-F1451 HydrophobicContact CG-CD2 3.99Å; Y1436-F1451 HydrophobicContact CG-CE1 4.47Å; Y1436-F1451 AromaticContact CG-CG 3.7Å; Y1436-F1451 HydrophobicContact CG-CG 3.7Å; Y1436-F1451 AromaticContact CZ-CD1 3.35Å; Y1436-F1451 AromaticContact CZ-CE1 3.69Å; M1446-F1451 HydrophobicContact CE-CB 4.29Å; C1447-F1451 PolarHBondContact O-N 3.05Å; Q1448-F1451 PolarHBondContact O-N 3.06Å; F1451-A1453 VanDerWaalsContact C-N 3.31Å; F1451-A1453 PolarHBondContact O-N 2.95Å; F1451-Q1454 WeakPolarHBondContact O-CA 3.29Å; F1451-Q1454 PolarHBondContact O-N 3.11Å; F1451-M1466 HydrophobicContact CD2-CG 4.45Å; F1451-M1466 HydrophobicContact CE2-CB 4.17Å; F1451-M1466 HydrophobicContact CE2-CG 3.98Å |
| 1452 | F | 90.3 | Very high | 86.7 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 178.5 | -65.2 | -16.5 | 0 | 0 | 0 | 113.6 | I1209 K1210 Y1214 I1218 L1434 Y1436 Q1448 Q1454 | I1209-F1452 HydrophobicContact CG1-CB 4.31Å; I1209-F1452 HydrophobicContact CG2-CB 4.06Å; I1209-F1452 HydrophobicContact CG2-CG 4.25Å; K1210-F1452 PolarHBondContact N-O 3.5Å; Y1214-F1452 HydrophobicContact CD1-CD1 4.41Å; Y1214-F1452 AromaticContact CD1-CE1 3.34Å; Y1214-F1452 HydrophobicContact CD1-CE1 3.34Å; Y1214-F1452 AromaticContact CD1-CZ 3.61Å; Y1214-F1452 HydrophobicContact CD1-CZ 3.61Å; Y1214-F1452 HydrophobicContact CD2-CE1 4.21Å; Y1214-F1452 AromaticContact CE1-CE1 3.9Å; Y1214-F1452 HydrophobicContact CE1-CE1 3.9Å; Y1214-F1452 HydrophobicContact CE1-CZ 4.35Å; Y1214-F1452 HydrophobicContact CG-CD1 4.19Å; Y1214-F1452 AromaticContact CG-CE1 3.51Å; Y1214-F1452 HydrophobicContact CG-CE1 3.51Å; Y1214-F1452 HydrophobicContact CG-CZ 4.04Å; I1218-F1452 HydrophobicContact CD1-CD2 4.31Å; I1218-F1452 HydrophobicContact CD1-CE2 3.67Å; I1218-F1452 HydrophobicContact CD1-CZ 4.41Å; L1434-F1452 HydrophobicContact CD1-CZ 4.11Å; Y1436-F1452 HydrophobicContact CE2-CE1 4.41Å; Y1436-F1452 WeakPolarHBondContact OH-CE1 3.32Å; Q1448-F1452 HydrophobicContact CB-CD2 4.2Å; Q1448-F1452 HydrophobicContact CB-CE1 4.42Å; Q1448-F1452 HydrophobicContact CB-CE2 3.7Å; Q1448-F1452 HydrophobicContact CB-CZ 3.83Å; Q1448-F1452 HydrophobicContact CG-CD2 4.37Å; Q1448-F1452 HydrophobicContact CG-CE2 3.9Å; Q1448-F1452 HydrophobicContact CG-CZ 4.48Å; Q1448-F1452 WeakPolarHBondContact O-CB 3.42Å; Q1448-F1452 VanDerWaalsContact O-CG 3.24Å; Q1448-F1452 WeakPolarHBondContact O-CG 3.35Å; Q1448-F1452 PolarHBondContact O-N 3.18Å; F1452-Q1454 VanDerWaalsContact C-N 3.28Å |
| 1453 | A | 85.9 | Confident | 86.7 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 10.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1449 F1451 R1455 | N1449-A1453 WeakPolarHBondContact O-CB 3.32Å; F1451-A1453 VanDerWaalsContact C-N 3.31Å; F1451-A1453 PolarHBondContact O-N 2.95Å; A1453-R1455 HydrophobicContact CB-CG 3.97Å; A1453-R1455 PolarHBondContact O-N 2.79Å |
| 1454 | Q | 86.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 31.1 | 177.3 | -61.1 | -173.4 | -0.2 | 0 | 0 | 115.5 | K1210 F1211 C1450 F1451 F1452 T1462 | K1210-Q1454 HydrophobicContact CB-CG 4.09Å; K1210-Q1454 HydrophobicContact CG-CG 4.34Å; F1211-Q1454 HydrophobicContact CE2-CG 3.75Å; F1211-Q1454 HydrophobicContact CZ-CG 3.96Å; F1211-Q1454 VanDerWaalsContact CZ-NE2 3.29Å; C1450-Q1454 PolarHBondContact O-N 2.77Å; F1451-Q1454 WeakPolarHBondContact O-CA 3.29Å; F1451-Q1454 PolarHBondContact O-N 3.11Å; F1452-Q1454 VanDerWaalsContact C-N 3.28Å; Q1454-T1462 HydrophobicContact CB-CG2 4.23Å |
| 1455 | R | 87.7 | Confident | 86.3 | Confident | 139 Ų | 139 | 60.3 Ų | 60.3 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | trans | -72.5 | 132.1 | -174.8 | -57.4 | -174.1 | -173.7 | -158.1 | 2 | 111.2 | V1425 M1446 C1450 A1453 | V1425-R1455 HydrophobicContact CG1-CB 3.85Å; M1446-R1455 WeakPolarHBondContact CE-O 3.29Å; C1450-R1455 PolarHBondContact O-N 3.39Å; A1453-R1455 HydrophobicContact CB-CG 3.97Å; A1453-R1455 PolarHBondContact O-N 2.79Å | ||
| 1456 | V | 85.6 | Confident | 86 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | trans | -109.8 | 152.1 | -178.3 | -67.5 | 0 | 0 | 0 | 0 | 113 | T1462 | V1456-T1462 HydrophobicContact CG1-CG2 3.78Š| ||
| 1457 | A | 85.2 | Confident | 85.8 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -154.9 | 160.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1425 F1444 G1459 H1460 | V1425-A1457 HydrophobicContact CG2-CB 3.92Å; F1444-A1457 HydrophobicContact CE2-CB 4.42Å; F1444-A1457 VanDerWaalsContact CE2-O 3.32Å; F1444-A1457 WeakPolarHBondContact CE2-O 3.35Å; F1444-A1457 HydrophobicContact CZ-CB 4.33Å; A1457-G1459 VanDerWaalsContact C-N 3.29Å; A1457-G1459 PolarHBondContact O-N 3.47Å; A1457-G1459 VanDerWaalsContact O-N 3.1Å; A1457-H1460 VanDerWaalsContact O-CB 3.24Å; A1457-H1460 WeakPolarHBondContact O-CB 3.14Å; A1457-H1460 PolarHBondContact O-N 3.5Å | ||
| 1458 | K | 77.8 | Confident | 85.6 | Confident | 179 Ų | 179 | 66.9 Ų | 66.9 | 78% | 0.778 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 42.7 | 171.5 | -61.6 | -169.3 | 172.5 | -169.2 | 0 | 115.2 | F1444 H1460 | F1444-K1458 HydrophobicContact CE2-CB 4.3Å; K1458-H1460 PolarHBondContact O-N 2.95Å |
| 1459 | G | 77.2 | Confident | 85.5 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 2.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1457 | A1457-G1459 VanDerWaalsContact C-N 3.29Å; A1457-G1459 PolarHBondContact O-N 3.47Å; A1457-G1459 VanDerWaalsContact O-N 3.1Å |
| 1460 | H | 85.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | trans | -63.4 | 146.3 | 165 | -179.5 | 86.5 | 0 | 0 | 0 | 110.3 | C1438 F1444 A1457 K1458 H1464 M1466 | C1438-H1460 VanDerWaalsContact SG-CE1 3.59Å; C1438-H1460 PolarHBondContact SG-ND1 3.24Å; F1444-H1460 HydrophobicContact CD1-CB 4.17Å; F1444-H1460 AromaticContact CD1-CG 3.91Å; F1444-H1460 AromaticContact CD1-ND1 3.68Å; F1444-H1460 HydrophobicContact CD2-CB 4.23Å; F1444-H1460 HydrophobicContact CE1-CB 3.63Å; F1444-H1460 AromaticContact CE1-CD2 3.89Å; F1444-H1460 AromaticContact CE1-CG 3.42Å; F1444-H1460 VanDerWaalsContact CE1-CG 3.42Å; F1444-H1460 AromaticContact CE1-ND1 3.65Å; F1444-H1460 HydrophobicContact CE2-CB 3.72Å; F1444-H1460 HydrophobicContact CG-CB 4.45Å; F1444-H1460 HydrophobicContact CZ-CB 3.39Å; F1444-H1460 AromaticContact CZ-CG 3.73Å; A1457-H1460 VanDerWaalsContact O-CB 3.24Å; A1457-H1460 WeakPolarHBondContact O-CB 3.14Å; A1457-H1460 PolarHBondContact O-N 3.5Å; K1458-H1460 PolarHBondContact O-N 2.95Å; H1460-H1464 AromaticContact ND1-ND1 3.92Å; H1460-M1466 PolarHBondContact CE1-SD 2.88Å | ||
| 1461 | K | 83.4 | Confident | 84.9 | Confident | 141 Ų | 141 | 67.4 Ų | 67.4 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | trans | -129.7 | 141.1 | 177.7 | -59.7 | -170 | 178.3 | -167.4 | 0 | 109 | K1463 H1464 | K1461-K1463 PolarHBondContact O-N 3.46Å; K1461-H1464 VanDerWaalsContact O-CB 3.28Å; K1461-H1464 WeakPolarHBondContact O-CB 3.18Å; K1461-H1464 PolarHBondContact O-N 3.28Å | ||
| 1462 | T | 80.5 | Confident | 84.3 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -22.8 | 179 | 51.8 | 0 | 0 | 0 | 0 | 114.7 | Q1454 V1456 H1464 | Q1454-T1462 HydrophobicContact CB-CG2 4.23Å; V1456-T1462 HydrophobicContact CG1-CG2 3.78Å; T1462-H1464 VanDerWaalsContact C-N 3.27Å; T1462-H1464 PolarHBondContact O-N 2.96Å |
| 1463 | K | 81.9 | Confident | 83.4 | Confident | 179 Ų | 179 | 69.4 Ų | 69.4 | 78% | 0.778 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 9.7 | 175.2 | -53.6 | -169.2 | 179.6 | -169.7 | 0 | 114.4 | K1461 Q1501 | K1461-K1463 PolarHBondContact O-N 3.46Å; K1463-Q1501 PolarHBondContact O-NE2 2.95Å |
| 1464 | H | 83.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -89.3 | 136.8 | 174.2 | -70.7 | -176.3 | 0 | 0 | 0 | 110.2 | K1440 C1441 H1460 K1461 T1462 M1466 | K1440-H1464 PolarHBondContact NZ-CD2 3.47Å; K1440-H1464 PolarHBondContact NZ-NE2 2.92Å; C1441-H1464 PolarHBondContact SG-ND1 2.87Å; H1460-H1464 AromaticContact ND1-ND1 3.92Å; K1461-H1464 VanDerWaalsContact O-CB 3.28Å; K1461-H1464 WeakPolarHBondContact O-CB 3.18Å; K1461-H1464 PolarHBondContact O-N 3.28Å; T1462-H1464 VanDerWaalsContact C-N 3.27Å; T1462-H1464 PolarHBondContact O-N 2.96Å; H1464-M1466 PolarHBondContact O-N 3.46Å |
| 1465 | P | 79.8 | Confident | 81.9 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | trans | -65.2 | 128.7 | -179.8 | 26.1 | -33.2 | 0 | 0 | 0 | 110.7 | L1439 W1496 | L1439-P1465 HydrophobicContact CB-CB 4.48Å; L1439-P1465 HydrophobicContact CB-CG 4.23Å; L1439-P1465 PolarHBondContact N-O 2.91Å; P1465-W1496 HydrophobicContact CG-CH2 4.47Å | ||
| 1466 | M | 85.8 | Confident | 81.2 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.8 | 177 | -61.4 | -62.7 | -71 | 0 | 0 | 109.6 | Y1436 R1437 C1438 M1446 F1451 H1460 H1464 | Y1436-M1466 VanDerWaalsContact O-CE 3.27Å; Y1436-M1466 WeakPolarHBondContact O-CE 3.45Å; R1437-M1466 CarbonylContact O-C 3.55Å; R1437-M1466 WeakPolarHBondContact O-CA 3.31Å; C1438-M1466 WeakPolarHBondContact CA-SD 3.4Å; C1438-M1466 HydrophobicContact CB-CE 4.26Å; C1438-M1466 HydrophobicContact CB-SD 3.58Å; C1438-M1466 VanDerWaalsContact CB-SD 3.58Å; M1446-M1466 HydrophobicContact CB-CE 4.35Å; M1446-M1466 HydrophobicContact CG-CE 4.23Å; M1446-M1466 HydrophobicContact SD-CE 3.9Å; F1451-M1466 HydrophobicContact CD2-CG 4.45Å; F1451-M1466 HydrophobicContact CE2-CB 4.17Å; F1451-M1466 HydrophobicContact CE2-CG 3.98Å; H1460-M1466 PolarHBondContact CE1-SD 2.88Å; H1464-M1466 PolarHBondContact O-N 3.46Å |
| 1467 | Q | 87.3 | Confident | 80.6 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.6 | 169.7 | -178.5 | 55.5 | 57 | 0 | 0 | 109.1 | Y1436 R1437 L1439 Y1469 | Y1436-Q1467 CarbonylContact C-O 3.55Å; Y1436-Q1467 WeakPolarHBondContact CA-O 3.25Å; R1437-Q1467 PolarHBondContact N-O 3.24Å; R1437-Q1467 PolarHBondContact O-N 3.08Å; L1439-Q1467 HydrophobicContact CD1-CB 4.15Å; L1439-Q1467 HydrophobicContact CD2-CB 3.99Å; L1439-Q1467 HydrophobicContact CG-CB 4.03Å; Q1467-Y1469 HydrophobicContact CB-CE2 4.17Å; Q1467-Y1469 HydrophobicContact CG-CD2 4.19Å; Q1467-Y1469 HydrophobicContact CG-CE1 4.48Å; Q1467-Y1469 HydrophobicContact CG-CE2 3.56Å |
| 1468 | E | 89.8 | Confident | 79.9 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 144.7 | 171.5 | -179.1 | 167.8 | 89 | 0 | 0 | 110.9 | Y1214 R1410 L1434 Y1436 | Y1214-E1468 VanDerWaalsContact CE1-OE2 3.26Å; Y1214-E1468 WeakPolarHBondContact CE1-OE2 3.46Å; Y1214-E1468 VanDerWaalsContact CZ-OE2 3.32Å; Y1214-E1468 PolarHBondContact OH-OE2 3.17Å; R1410-E1468 WeakPolarHBondContact CD-OE1 3.35Å; R1410-E1468 IonicContact CZ-OE1 2.68Å; R1410-E1468 IonicContact NE-OE1 2.66Å; R1410-E1468 PolarHBondContact NE-OE1 3.31Å; R1410-E1468 IonicContact NH2-OE1 3.63Å; L1434-E1468 HydrophobicContact CD2-CG 4.34Å; Y1436-E1468 HydrophobicContact CD1-CB 4.1Å; Y1436-E1468 HydrophobicContact CD1-CG 4.45Å; Y1436-E1468 HydrophobicContact CE1-CB 3.76Å; Y1436-E1468 HydrophobicContact CE1-CG 3.8Å; Y1436-E1468 WeakPolarHBondContact CE1-OE2 3.23Å; Y1436-E1468 PolarHBondContact OH-OE2 2.94Å |
| 1469 | Y | 88 | Confident | 79.8 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 9% | 0.086 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 118.1 | 171.2 | -72.1 | -76.3 | 0 | 0 | 0 | 109.8 | H1419 R1435 R1437 Q1467 T1473 Q1477 D1481 | H1419-Y1469 PolarHBondContact CE1-O 2.69Å; H1419-Y1469 PolarHBondContact NE2-O 3.01Å; R1435-Y1469 PolarHBondContact N-O 2.78Å; R1435-Y1469 VanDerWaalsContact N-O 3.11Å; R1435-Y1469 PolarHBondContact O-N 3.33Å; R1437-Y1469 HydrophobicContact CB-CD2 4.48Å; R1437-Y1469 HydrophobicContact CB-CE2 4.13Å; Q1467-Y1469 HydrophobicContact CB-CE2 4.17Å; Q1467-Y1469 HydrophobicContact CG-CD2 4.19Å; Q1467-Y1469 HydrophobicContact CG-CE1 4.48Å; Q1467-Y1469 HydrophobicContact CG-CE2 3.56Å; Y1469-T1473 HydrophobicContact CD1-CG2 3.34Å; Y1469-T1473 HydrophobicContact CD2-CG2 3.95Å; Y1469-T1473 HydrophobicContact CE1-CG2 3.65Å; Y1469-T1473 HydrophobicContact CE2-CG2 4.22Å; Y1469-T1473 HydrophobicContact CG-CG2 3.49Å; Y1469-T1473 VanDerWaalsContact CG-CG2 3.49Å; Y1469-Q1477 HydrophobicContact CE1-CB 4.22Å; Y1469-D1481 WeakPolarHBondContact CE2-OD2 3.27Å; Y1469-D1481 PolarHBondContact OH-OD1 2.86Å; Y1469-D1481 PolarHBondContact OH-OD2 2.8Å |
| 1470 | C | 86.3 | Confident | 79.8 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -94.5 | -20.9 | 177.6 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | S1414 L1434 | S1414-C1470 WeakPolarHBondContact CA-O 3.44Å; S1414-C1470 WeakPolarHBondContact CB-O 3.43Å; L1434-C1470 HydrophobicContact CD2-CB 3.86Å; L1434-C1470 VanDerWaalsContact CD2-SG 3.57Å |
| 1471 | L | 83.1 | Confident | 79 | Confident | 110 Ų | 110 | 73 Ų | 73 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -123.1 | 152.8 | -178.7 | -61.2 | 176.4 | 0 | 0 | 0 | 110.2 | E1417 H1419 T1473 | E1417-L1471 HydrophobicContact CG-CD2 4.29Å; H1419-L1471 PolarHBondContact CE1-O 2.85Å; H1419-L1471 VanDerWaalsContact CE1-O 3.28Å; L1471-T1473 PolarHBondContact O-N 3.28Å |
| 1472 | S | 79.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 118.4 | -178.2 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | E1417 K1474 | E1417-S1472 WeakPolarHBondContact OE2-CA 3.44Å; E1417-S1472 WeakPolarHBondContact OE2-CB 3.32Å; E1417-S1472 PolarHBondContact OE2-N 3.46Å; E1417-S1472 PolarHBondContact OE2-OG 2.89Å; S1472-K1474 PolarHBondContact O-N 3.4Å |
| 1473 | T | 71.9 | Confident | 78.1 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 122.3 | -171.6 | 43.1 | 0 | 0 | 0 | 0 | 112.1 | R1435 Y1469 L1471 | R1435-T1473 PolarHBondContact NH1-OG1 2.8Å; Y1469-T1473 HydrophobicContact CD1-CG2 3.34Å; Y1469-T1473 HydrophobicContact CD2-CG2 3.95Å; Y1469-T1473 HydrophobicContact CE1-CG2 3.65Å; Y1469-T1473 HydrophobicContact CE2-CG2 4.22Å; Y1469-T1473 HydrophobicContact CG-CG2 3.49Å; Y1469-T1473 VanDerWaalsContact CG-CG2 3.49Å; L1471-T1473 PolarHBondContact O-N 3.28Å |
| 1474 | K | 71.4 | Confident | 77.6 | Confident | 167 Ų | 167 | 63.3 Ų | 63.3 | 73% | 0.726 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -80 | 143.8 | 170.6 | -62.4 | 179.5 | -178 | 177.4 | 0 | 108.9 | S1472 G1476 Q1477 | S1472-K1474 PolarHBondContact O-N 3.4Å; K1474-G1476 PolarHBondContact O-N 3.06Å; K1474-Q1477 WeakPolarHBondContact O-CB 3.38Å; K1474-Q1477 PolarHBondContact O-N 2.96Å |
| 1475 | S | 69.8 | Low | 77 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 69% | 0.685 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -52.7 | -31.9 | -172.7 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | Q1477 D1478 V1479 | S1475-Q1477 PolarHBondContact O-N 2.84Å; S1475-D1478 PolarHBondContact O-N 2.75Å; S1475-V1479 WeakPolarHBondContact O-CG2 3.47Å; S1475-V1479 PolarHBondContact O-N 2.73Å |
| 1476 | G | 71.7 | Confident | 76.6 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.4 | -3.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1474 R1480 | K1474-G1476 PolarHBondContact O-N 3.06Å; G1476-R1480 PolarHBondContact O-NE 3.22Å |
| 1477 | Q | 72.4 | Confident | 76 | Confident | 66 Ų | 66 | 71 Ų | 71 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -90.1 | -48 | 167.3 | -69 | 165.4 | -58 | 0 | 0 | 110.3 | Y1469 K1474 S1475 V1479 R1480 D1481 | Y1469-Q1477 HydrophobicContact CE1-CB 4.22Å; K1474-Q1477 WeakPolarHBondContact O-CB 3.38Å; K1474-Q1477 PolarHBondContact O-N 2.96Å; S1475-Q1477 PolarHBondContact O-N 2.84Å; Q1477-V1479 PolarHBondContact O-N 2.82Å; Q1477-R1480 WeakPolarHBondContact O-CA 3.43Å; Q1477-R1480 WeakPolarHBondContact O-CB 3.24Å; Q1477-R1480 PolarHBondContact O-N 2.85Å; Q1477-D1481 PolarHBondContact O-N 2.79Å |
| 1478 | D | 70.6 | Confident | 75.1 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.4 | -33.6 | 176.8 | -65.2 | -65 | 0 | 0 | 0 | 112.3 | R1435 R1437 S1475 F1482 | R1435-D1478 IonicContact CZ-OD1 3.81Å; R1435-D1478 IonicContact NH1-OD1 2.64Å; R1435-D1478 PolarHBondContact NH1-OD1 3.03Å; R1435-D1478 IonicContact NH1-OD2 3.94Å; R1435-D1478 IonicContact NH2-OD1 2.72Å; R1435-D1478 PolarHBondContact NH2-OD1 3.28Å; R1437-D1478 IonicContact CZ-OD1 3.68Å; R1437-D1478 IonicContact NH1-OD1 2.72Å; R1437-D1478 PolarHBondContact NH1-OD1 2.91Å; S1475-D1478 PolarHBondContact O-N 2.75Å; D1478-F1482 WeakPolarHBondContact O-CB 3.4Å; D1478-F1482 PolarHBondContact O-N 3.2Å |
| 1479 | V | 76.6 | Confident | 74 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 62% | 0.624 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.8 | -37.3 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | S1475 Q1477 F1482 G1483 | S1475-V1479 WeakPolarHBondContact O-CG2 3.47Å; S1475-V1479 PolarHBondContact O-N 2.73Å; Q1477-V1479 PolarHBondContact O-N 2.82Å; V1479-F1482 PolarHBondContact O-N 3.38Å; V1479-G1483 PolarHBondContact O-N 3.15Å |
| 1480 | R | 76.8 | Confident | 73 | Confident | 177 Ų | 177 | 80 Ų | 80 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.5 | -41.1 | 175.1 | -84.6 | -174.5 | -86.9 | -174.8 | -6.4 | 111.3 | G1476 Q1477 F1482 G1483 L1484 | G1476-R1480 PolarHBondContact O-NE 3.22Å; Q1477-R1480 WeakPolarHBondContact O-CA 3.43Å; Q1477-R1480 WeakPolarHBondContact O-CB 3.24Å; Q1477-R1480 PolarHBondContact O-N 2.85Å; R1480-F1482 VanDerWaalsContact C-N 3.33Å; R1480-F1482 PolarHBondContact O-N 3.36Å; R1480-G1483 PolarHBondContact O-N 2.9Å; R1480-L1484 WeakPolarHBondContact O-CG 3.05Å; R1480-L1484 PolarHBondContact O-N 3.36Å |
| 1481 | D | 68.8 | Low | 72 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 5% | 0.048 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 174.1 | -82 | 6.3 | 0 | 0 | 0 | 112.3 | R1437 L1439 Y1469 Q1477 L1484 L1485 | R1437-D1481 WeakPolarHBondContact CD-OD2 3.39Å; L1439-D1481 HydrophobicContact CD2-CB 4.03Å; Y1469-D1481 WeakPolarHBondContact CE2-OD2 3.27Å; Y1469-D1481 PolarHBondContact OH-OD1 2.86Å; Y1469-D1481 PolarHBondContact OH-OD2 2.8Å; Q1477-D1481 PolarHBondContact O-N 2.79Å; D1481-L1484 PolarHBondContact O-N 3.29Å; D1481-L1485 VanDerWaalsContact O-CB 3.25Å; D1481-L1485 WeakPolarHBondContact O-CB 3.44Å; D1481-L1485 PolarHBondContact O-N 3.3Å |
| 1482 | F | 73.1 | Confident | 71 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 172.3 | -178.9 | -110.4 | 0 | 0 | 0 | 111.9 | F1442 D1478 V1479 R1480 L1485 I1486 | F1442-F1482 HydrophobicContact CD2-CD2 4.24Å; F1442-F1482 HydrophobicContact CD2-CE2 4.07Å; F1442-F1482 AromaticContact CE2-CD2 3.93Å; F1442-F1482 HydrophobicContact CE2-CD2 3.93Å; F1442-F1482 AromaticContact CE2-CE2 3.7Å; F1442-F1482 HydrophobicContact CE2-CE2 3.7Å; D1478-F1482 WeakPolarHBondContact O-CB 3.4Å; D1478-F1482 PolarHBondContact O-N 3.2Å; V1479-F1482 PolarHBondContact O-N 3.38Å; R1480-F1482 VanDerWaalsContact C-N 3.33Å; R1480-F1482 PolarHBondContact O-N 3.36Å; F1482-L1485 PolarHBondContact O-N 2.61Å; F1482-I1486 HydrophobicContact CD1-CD1 4.19Å; F1482-I1486 HydrophobicContact CE1-CD1 3.61Å; F1482-I1486 HydrophobicContact CE2-CD1 4.26Å; F1482-I1486 HydrophobicContact CZ-CD1 3.66Å; F1482-I1486 HydrophobicContact CZ-CG1 4.42Å; F1482-I1486 PolarHBondContact O-N 2.85Å |
| 1483 | G | 73.1 | Confident | 70.2 | Confident | 38 Ų | 38 | 85.3 Ų | 85.3 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1479 R1480 R1487 | V1479-G1483 PolarHBondContact O-N 3.15Å; R1480-G1483 PolarHBondContact O-N 2.9Å; G1483-R1487 WeakPolarHBondContact O-CB 3.47Å; G1483-R1487 PolarHBondContact O-N 2.95Å |
| 1484 | L | 70.9 | Confident | 70 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 173.1 | -74.3 | 173.5 | 0 | 0 | 0 | 111.7 | L1439 R1480 D1481 R1487 N1488 | L1439-L1484 HydrophobicContact CD2-CB 4.48Å; R1480-L1484 WeakPolarHBondContact O-CG 3.05Å; R1480-L1484 PolarHBondContact O-N 3.36Å; D1481-L1484 PolarHBondContact O-N 3.29Å; L1484-R1487 CarbonylContact O-C 3.55Å; L1484-R1487 PolarHBondContact O-N 3.43Å; L1484-N1488 WeakPolarHBondContact O-CB 3.28Å; L1484-N1488 PolarHBondContact O-N 3.01Å; L1484-N1488 PolarHBondContact O-ND2 3.21Å |
| 1485 | L | 69.5 | Low | 69.9 | Low | 9 Ų | 9 | 86.7 Ų | 86.7 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 178.6 | -175.8 | 149.8 | 0 | 0 | 0 | 111.7 | D1481 F1482 N1488 Q1489 | D1481-L1485 VanDerWaalsContact O-CB 3.25Å; D1481-L1485 WeakPolarHBondContact O-CB 3.44Å; D1481-L1485 PolarHBondContact O-N 3.3Å; F1482-L1485 PolarHBondContact O-N 2.61Å; L1485-N1488 PolarHBondContact O-N 3.09Å; L1485-Q1489 WeakPolarHBondContact O-CG 3.41Å; L1485-Q1489 PolarHBondContact O-N 3.05Å |
| 1486 | I | 73.1 | Confident | 69.4 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 35% | 0.354 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 172 | -68.6 | 177 | 0 | 0 | 0 | 110.2 | F1482 N1488 Q1489 F1490 | F1482-I1486 HydrophobicContact CD1-CD1 4.19Å; F1482-I1486 HydrophobicContact CE1-CD1 3.61Å; F1482-I1486 HydrophobicContact CE2-CD1 4.26Å; F1482-I1486 HydrophobicContact CZ-CD1 3.66Å; F1482-I1486 HydrophobicContact CZ-CG1 4.42Å; F1482-I1486 PolarHBondContact O-N 2.85Å; I1486-N1488 PolarHBondContact O-N 3.47Å; I1486-N1488 VanDerWaalsContact O-N 3.16Å; I1486-Q1489 PolarHBondContact O-N 2.83Å; I1486-Q1489 VanDerWaalsContact O-N 3.07Å; I1486-F1490 HydrophobicContact CG2-CD2 4.01Å; I1486-F1490 HydrophobicContact CG2-CE2 3.78Å; I1486-F1490 WeakPolarHBondContact O-CD2 3.25Å; I1486-F1490 PolarHBondContact O-N 3.28Å |
| 1487 | R | 72.3 | Confident | 68.8 | Low | 171 Ų | 171 | 94.7 Ų | 94.7 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.9 | -27.5 | 177.5 | -169.3 | 176.2 | -179.9 | -172.6 | 0.2 | 112.5 | G1483 L1484 K1491 | G1483-R1487 WeakPolarHBondContact O-CB 3.47Å; G1483-R1487 PolarHBondContact O-N 2.95Å; L1484-R1487 CarbonylContact O-C 3.55Å; L1484-R1487 PolarHBondContact O-N 3.43Å; R1487-K1491 WeakPolarHBondContact O-CG 3.47Å |
| 1488 | N | 68.6 | Low | 68 | Low | 14 Ų | 14 | 100.2 Ų | 100.2 | 8% | 0.075 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -81.5 | -26.6 | 177.1 | -73 | -17.2 | 0 | 0 | 0 | 113.8 | L1439 L1484 L1485 I1486 K1491 W1496 | L1439-N1488 PolarHBondContact O-ND2 3.1Å; L1484-N1488 WeakPolarHBondContact O-CB 3.28Å; L1484-N1488 PolarHBondContact O-N 3.01Å; L1484-N1488 PolarHBondContact O-ND2 3.21Å; L1485-N1488 PolarHBondContact O-N 3.09Å; I1486-N1488 PolarHBondContact O-N 3.47Å; I1486-N1488 VanDerWaalsContact O-N 3.16Å; N1488-K1491 PolarHBondContact OD1-NZ 3.39Å; N1488-W1496 HydrophobicContact CB-CH2 4.15Å; N1488-W1496 HydrophobicContact CB-CZ2 3.88Å |
| 1489 | Q | 66.6 | Low | 67 | Low | 123 Ų | 123 | 103 Ų | 103 | 58% | 0.575 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.2 | -34 | 171.8 | -72.4 | -179.6 | 2.4 | 0 | 0 | 112.2 | L1485 I1486 | L1485-Q1489 WeakPolarHBondContact O-CG 3.41Å; L1485-Q1489 PolarHBondContact O-N 3.05Å; I1486-Q1489 PolarHBondContact O-N 2.83Å; I1486-Q1489 VanDerWaalsContact O-N 3.07Å |
| 1490 | F | 66.9 | Low | 65.2 | Low | 179 Ų | 179 | 103.4 Ų | 103.4 | 79% | 0.785 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -80.2 | -6.8 | 176.1 | -70.3 | -68.3 | 0 | 0 | 0 | 115.1 | I1486 S1492 | I1486-F1490 HydrophobicContact CG2-CD2 4.01Å; I1486-F1490 HydrophobicContact CG2-CE2 3.78Å; I1486-F1490 WeakPolarHBondContact O-CD2 3.25Å; I1486-F1490 PolarHBondContact O-N 3.28Å; F1490-S1492 PolarHBondContact O-N 3.42Å |
| 1491 | K | 65.8 | Low | 63.5 | Low | 42 Ų | 42 | 99.7 Ų | 99.7 | 18% | 0.183 | 46% | 0.463 | C | S | . | . | trans | -79.4 | 118.6 | 178.7 | -82.3 | 166.4 | -179.6 | 176 | 0 | 111.7 | R1487 N1488 Y1495 W1496 | R1487-K1491 WeakPolarHBondContact O-CG 3.47Å; N1488-K1491 PolarHBondContact OD1-NZ 3.39Å; K1491-Y1495 HydrophobicContact CB-CD1 4.04Å; K1491-Y1495 HydrophobicContact CB-CG 4Å; K1491-Y1495 HydrophobicContact CD-CD1 3.55Å; K1491-Y1495 HydrophobicContact CD-CD2 4.24Å; K1491-Y1495 HydrophobicContact CD-CE1 3.46Å; K1491-Y1495 VanDerWaalsContact CD-CE1 3.46Å; K1491-Y1495 HydrophobicContact CD-CE2 4.11Å; K1491-Y1495 HydrophobicContact CD-CG 3.98Å; K1491-Y1495 HydrophobicContact CG-CD1 3.87Å; K1491-Y1495 HydrophobicContact CG-CD2 3.99Å; K1491-Y1495 HydrophobicContact CG-CE1 4.21Å; K1491-Y1495 HydrophobicContact CG-CE2 4.27Å; K1491-Y1495 HydrophobicContact CG-CG 3.78Å; K1491-Y1495 PolarHBondContact NZ-OH 3.14Å; K1491-W1496 HydrophobicContact CB-CZ2 3.98Å; K1491-W1496 HydrophobicContact CD-CH2 4.17Å; K1491-W1496 HydrophobicContact CD-CZ2 3.74Å; K1491-W1496 PolarHBondContact O-NE1 2.88Å; K1491-W1496 VanDerWaalsContact O-NE1 3.14Å | ||
| 1492 | S | 60.6 | Low | 62 | Low | 65 Ų | 65 | 107.8 Ų | 107.8 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | trans | -62.3 | 162.6 | -177.9 | 79.7 | 0 | 0 | 0 | 0 | 113.7 | F1490 Q1494 Y1495 W1496 | F1490-S1492 PolarHBondContact O-N 3.42Å; S1492-Q1494 PolarHBondContact O-N 3.25Å; S1492-Q1494 PolarHBondContact OG-N 3.1Å; S1492-Y1495 WeakPolarHBondContact O-CB 3.15Å; S1492-Y1495 PolarHBondContact O-N 2.87Å; S1492-Y1495 PolarHBondContact OG-N 3.15Å; S1492-W1496 VanDerWaalsContact O-CD1 3.23Å; S1492-W1496 PolarHBondContact O-N 3.38Å | ||
| 1493 | K | 64 | Low | 60.1 | Low | 192 Ų | 192 | 105.5 Ų | 105.5 | 84% | 0.835 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.6 | 172.6 | -74.3 | -176.9 | 178.5 | 176 | 0 | 113.6 | ||
| 1494 | Q | 67.7 | Low | 58.7 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -35.5 | 175.4 | -72.5 | 176.8 | -20 | 0 | 0 | 112.6 | S1492 W1496 R1497 K1498 | S1492-Q1494 PolarHBondContact O-N 3.25Å; S1492-Q1494 PolarHBondContact OG-N 3.1Å; Q1494-W1496 VanDerWaalsContact C-N 3.31Å; Q1494-W1496 PolarHBondContact O-N 3.25Å; Q1494-R1497 PolarHBondContact O-N 2.95Å; Q1494-K1498 PolarHBondContact O-N 3.02Å; Q1494-K1498 VanDerWaalsContact O-N 3.08Å |
| 1495 | Y | 68.1 | Low | 56.9 | Low | 79 Ų | 79 | 112 Ų | 112 | 31% | 0.31 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.8 | -48.2 | 175.1 | -179.5 | -77.4 | 0 | 0 | 0 | 110.5 | K1491 S1492 R1497 K1498 H1499 | K1491-Y1495 HydrophobicContact CB-CD1 4.04Å; K1491-Y1495 HydrophobicContact CB-CG 4Å; K1491-Y1495 HydrophobicContact CD-CD1 3.55Å; K1491-Y1495 HydrophobicContact CD-CD2 4.24Å; K1491-Y1495 HydrophobicContact CD-CE1 3.46Å; K1491-Y1495 VanDerWaalsContact CD-CE1 3.46Å; K1491-Y1495 HydrophobicContact CD-CE2 4.11Å; K1491-Y1495 HydrophobicContact CD-CG 3.98Å; K1491-Y1495 HydrophobicContact CG-CD1 3.87Å; K1491-Y1495 HydrophobicContact CG-CD2 3.99Å; K1491-Y1495 HydrophobicContact CG-CE1 4.21Å; K1491-Y1495 HydrophobicContact CG-CE2 4.27Å; K1491-Y1495 HydrophobicContact CG-CG 3.78Å; K1491-Y1495 PolarHBondContact NZ-OH 3.14Å; S1492-Y1495 WeakPolarHBondContact O-CB 3.15Å; S1492-Y1495 PolarHBondContact O-N 2.87Å; S1492-Y1495 PolarHBondContact OG-N 3.15Å; Y1495-R1497 PolarHBondContact O-N 3.34Å; Y1495-K1498 PolarHBondContact O-N 3.13Å; Y1495-K1498 VanDerWaalsContact O-N 3.11Å; Y1495-H1499 AromaticContact CD1-CD2 3.92Å; Y1495-H1499 AromaticContact CD2-CD2 3.87Å; Y1495-H1499 HydrophobicContact CE1-CB 4.05Å; Y1495-H1499 AromaticContact CE1-CD2 3.5Å; Y1495-H1499 VanDerWaalsContact CE1-CD2 3.5Å; Y1495-H1499 WeakPolarHBondContact CE1-CD2 3.41Å; Y1495-H1499 AromaticContact CE2-CD2 3.5Å; Y1495-H1499 AromaticContact CE2-NE2 3.72Å; Y1495-H1499 AromaticContact CZ-CD2 3.28Å; Y1495-H1499 AromaticContact CZ-CG 3.99Å; Y1495-H1499 AromaticContact CZ-NE2 3.81Å; Y1495-H1499 PolarHBondContact O-N 3.15Å |
| 1496 | W | 60.7 | Low | 55.3 | Low | 88 Ų | 88 | 116.9 Ų | 116.9 | 33% | 0.333 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.3 | -2.9 | 179 | -56.9 | 107.6 | 0 | 0 | 0 | 114.5 | P1465 N1488 K1491 S1492 Q1494 | P1465-W1496 HydrophobicContact CG-CH2 4.47Å; N1488-W1496 HydrophobicContact CB-CH2 4.15Å; N1488-W1496 HydrophobicContact CB-CZ2 3.88Å; K1491-W1496 HydrophobicContact CB-CZ2 3.98Å; K1491-W1496 HydrophobicContact CD-CH2 4.17Å; K1491-W1496 HydrophobicContact CD-CZ2 3.74Å; K1491-W1496 PolarHBondContact O-NE1 2.88Å; K1491-W1496 VanDerWaalsContact O-NE1 3.14Å; S1492-W1496 VanDerWaalsContact O-CD1 3.23Å; S1492-W1496 PolarHBondContact O-N 3.38Å; Q1494-W1496 VanDerWaalsContact C-N 3.31Å; Q1494-W1496 PolarHBondContact O-N 3.25Å |
| 1497 | R | 58.8 | Low | 53.6 | Low | 216 Ų | 216 | 117.6 Ų | 117.6 | 82% | 0.815 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -94.2 | -33.3 | 166 | -77 | -178.2 | 172.8 | -176.6 | -3.3 | 112.4 | Q1494 Y1495 | Q1494-R1497 PolarHBondContact O-N 2.95Å; Y1495-R1497 PolarHBondContact O-N 3.34Å |
| 1498 | K | 56.4 | Low | 51.6 | Low | 183 Ų | 183 | 117.9 Ų | 117.9 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -82.2 | -21.2 | 177.2 | -73.2 | -163.3 | 172.6 | -167.7 | 0 | 113.9 | Q1494 Y1495 | Q1494-K1498 PolarHBondContact O-N 3.02Å; Q1494-K1498 VanDerWaalsContact O-N 3.08Å; Y1495-K1498 PolarHBondContact O-N 3.13Å; Y1495-K1498 VanDerWaalsContact O-N 3.11Å |
| 1499 | H | 49.5 | Very low | 49.9 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -118.3 | 90.7 | 170.6 | -59.3 | -74.2 | 0 | 0 | 0 | 109.1 | Y1495 | Y1495-H1499 AromaticContact CD1-CD2 3.92Å; Y1495-H1499 AromaticContact CD2-CD2 3.87Å; Y1495-H1499 HydrophobicContact CE1-CB 4.05Å; Y1495-H1499 AromaticContact CE1-CD2 3.5Å; Y1495-H1499 VanDerWaalsContact CE1-CD2 3.5Å; Y1495-H1499 WeakPolarHBondContact CE1-CD2 3.41Å; Y1495-H1499 AromaticContact CE2-CD2 3.5Å; Y1495-H1499 AromaticContact CE2-NE2 3.72Å; Y1495-H1499 AromaticContact CZ-CD2 3.28Å; Y1495-H1499 AromaticContact CZ-CG 3.99Å; Y1495-H1499 AromaticContact CZ-NE2 3.81Å; Y1495-H1499 PolarHBondContact O-N 3.15Å |
| 1500 | P | 38.3 | Very low | 48.1 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 61% | 0.614 | S | S | * | * | trans | -50.3 | 142.2 | 160 | -22.4 | 33.8 | 0 | 0 | 0 | 109.3 | ||||
| 1501 | Q | 41.3 | Very low | 46.2 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | trans | -68.8 | 161.1 | 171.4 | -66.3 | -179.6 | 33.3 | 0 | 0 | 109.4 | K1463 G1503 | K1463-Q1501 PolarHBondContact O-NE2 2.95Å; Q1501-G1503 PolarHBondContact O-N 2.85Å | ||
| 1502 | L | 36.3 | Very low | 44.6 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 94% | 0.937 | 65% | 0.649 | S | S | * | * | trans | -57.8 | 91.5 | 165.5 | -79.2 | 153.7 | 0 | 0 | 0 | 108.7 | ||||
| 1503 | G | 33.8 | Very low | 43.2 | Very low | 48 Ų | 48 | 128.8 Ų | 128.8 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | trans | -96.9 | 114.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q1501 L1505 | Q1501-G1503 PolarHBondContact O-N 2.85Å; G1503-L1505 PolarHBondContact O-N 3.19Å | ||
| 1504 | Y | 43.1 | Very low | 41.4 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 41% | 0.412 | 67% | 0.668 | S | S | . | * | trans | -65.1 | 80.1 | 157.4 | -60.6 | -80.4 | 0 | 0 | 0 | 107.7 | V1403 | V1403-Y1504 HydrophobicContact CG2-CE1 4.41Š| ||
| 1505 | L | 33 | Very low | 39.5 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 128.2 | -179.8 | -82.8 | 160.7 | 0 | 0 | 0 | 108.6 | G1503 V1507 | G1503-L1505 PolarHBondContact O-N 3.19Å; L1505-V1507 PolarHBondContact O-N 3.06Å |
| 1506 | P | 35.9 | Very low | 37.9 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.2 | 167.8 | 27.9 | -32 | 0 | 0 | 0 | 108.2 | Q1508 | P1506-Q1508 PolarHBondContact O-N 2.87Š|
| 1507 | V | 38.5 | Very low | 36.7 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 51% | 0.509 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -65 | 131.8 | 170.6 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | L1505 S1509 | L1505-V1507 PolarHBondContact O-N 3.06Å; V1507-S1509 PolarHBondContact O-N 2.99Å |
| 1508 | Q | 30.2 | Very low | 35.2 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.9 | 171.2 | -73.6 | 178.4 | -98.4 | 0 | 0 | 108.5 | P1506 V1510 | P1506-Q1508 PolarHBondContact O-N 2.87Å; Q1508-V1510 PolarHBondContact O-N 3.48Å |
| 1509 | S | 32.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -71.2 | 90.4 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 110 | V1507 | V1507-S1509 PolarHBondContact O-N 2.99Š| ||
| 1510 | V | 29 | Very low | 33 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | trans | -82.4 | 137.3 | 166.7 | -174 | 0 | 0 | 0 | 0 | 108.1 | Q1508 E1512 | Q1508-V1510 PolarHBondContact O-N 3.48Å; V1510-E1512 PolarHBondContact O-N 3.14Å | ||
| 1511 | M | 27.3 | Very low | 32.8 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | trans | -78.1 | 112.6 | 178.7 | -69 | 166 | 53.4 | 0 | 0 | 110.3 | ||||
| 1512 | E | 31.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -162.7 | 138.9 | 173.9 | -113.3 | 160.3 | -127.4 | 0 | 0 | 112 | V1510 | V1510-E1512 PolarHBondContact O-N 3.14Š| ||
| 1513 | G | 30.7 | Very low | 32.5 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | trans | 105.8 | 122.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1514 | L | 26.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | trans | -69.9 | 151.3 | 164.7 | -75.8 | 165 | 0 | 0 | 0 | 110.7 | ||||
| 1515 | S | 29.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | trans | -76.8 | 137.4 | 176.6 | -168.4 | 0 | 0 | 0 | 0 | 111.3 | E1517 S1518 | S1515-E1517 PolarHBondContact O-N 3.42Å; S1515-S1518 PolarHBondContact O-OG 2.78Å | ||
| 1516 | L | 33.7 | Very low | 32.9 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 95% | 0.953 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 0.9 | 179.4 | -83.3 | 162.4 | 0 | 0 | 0 | 114.4 | ||
| 1517 | E | 34.3 | Very low | 33 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 53% | 0.533 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.2 | 4 | -175.1 | -64.4 | -176 | 149.5 | 0 | 0 | 114.1 | H1349 S1515 R1519 | H1349-E1517 IonicContact CE1-OE2 2.83Å; H1349-E1517 PolarHBondContact CE1-OE2 3.38Å; H1349-E1517 IonicContact ND1-OE2 3.62Å; S1515-E1517 PolarHBondContact O-N 3.42Å; E1517-R1519 PolarHBondContact O-N 2.98Å |
| 1518 | S | 27.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | trans | -82.8 | 82.8 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | S1515 | S1515-S1518 PolarHBondContact O-OG 2.78Š| ||
| 1519 | R | 30.4 | Very low | 34.1 | Very low | 239 Ų | 239 | 129 Ų | 129 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -68.4 | 142.4 | 158 | -153.5 | 168.2 | -177.2 | 168 | -2 | 108.1 | E1517 V1521 | E1517-R1519 PolarHBondContact O-N 2.98Å; R1519-V1521 PolarHBondContact O-N 3.23Å | ||
| 1520 | E | 29.7 | Very low | 34.7 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | -68.5 | 126.7 | -150.6 | -63.3 | 172.1 | 134.2 | 0 | 0 | 114.8 | ||||
| 1521 | V | 33.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | trans | -90.4 | 102.6 | 166.5 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | R1519 | R1519-V1521 PolarHBondContact O-N 3.23Š| ||
| 1522 | A | 35.5 | Very low | 36.2 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | trans | -73.2 | 148.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1523 | P | 35.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -69.3 | 141.1 | -173.8 | -19.5 | 33.1 | 0 | 0 | 0 | 113.3 | N1525 | P1523-N1525 PolarHBondContact O-N 3.34Å; P1523-N1525 VanDerWaalsContact O-N 3.13Å | ||
| 1524 | V | 38.9 | Very low | 38.3 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 79% | 0.788 | 63% | 0.631 | S | S | * | * | trans | -76.5 | 98.5 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1525 | N | 35.8 | Very low | 39.4 | Very low | 60 Ų | 60 | 113.9 Ų | 113.9 | 32% | 0.321 | 61% | 0.612 | S | S | . | * | trans | -81.8 | 126.9 | 158.3 | -178.5 | -2.1 | 0 | 0 | 0 | 108.6 | P1523 E1527 | P1523-N1525 PolarHBondContact O-N 3.34Å; P1523-N1525 VanDerWaalsContact O-N 3.13Å; N1525-E1527 PolarHBondContact ND2-OE2 3.46Å; N1525-E1527 PolarHBondContact O-N 3.48Å; N1525-E1527 PolarHBondContact OD1-N 3.14Å | ||
| 1526 | P | 44.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -52.6 | -31.8 | 171.4 | -28.9 | 36.6 | 0 | 0 | 0 | 115 | R1529 | P1526-R1529 VanDerWaalsContact O-CB 3.27Å; P1526-R1529 WeakPolarHBondContact O-CB 3.2Å |
| 1527 | E | 38.8 | Very low | 41.4 | Very low | 145 Ų | 145 | 113 Ų | 113 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -42.2 | -173.6 | -60.4 | 164.3 | 163.5 | 0 | 0 | 112.8 | N1525 R1529 | N1525-E1527 PolarHBondContact ND2-OE2 3.46Å; N1525-E1527 PolarHBondContact O-N 3.48Å; N1525-E1527 PolarHBondContact OD1-N 3.14Å; E1527-R1529 PolarHBondContact O-N 3.49Å |
| 1528 | T | 43.1 | Very low | 42 | Very low | 49 Ų | 49 | 113.9 Ų | 113.9 | 30% | 0.301 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | 7.3 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | S1530 L1531 H1532 | T1528-S1530 VanDerWaalsContact C-N 3.34Å; T1528-S1530 PolarHBondContact O-N 2.83Å; T1528-L1531 WeakPolarHBondContact O-CB 3.38Å; T1528-L1531 PolarHBondContact O-N 2.82Å; T1528-L1531 VanDerWaalsContact O-N 3.14Å; T1528-H1532 PolarHBondContact O-CD2 3.12Å; T1528-H1532 PolarHBondContact O-N 2.83Å; T1528-H1532 PolarHBondContact OG1-CD2 3.5Å; T1528-H1532 PolarHBondContact OG1-NE2 3.45Å |
| 1529 | R | 48.4 | Very low | 43.2 | Very low | 180 Ų | 180 | 112.6 Ų | 112.6 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.5 | -38.1 | -172.5 | -171.1 | 178.5 | -173.2 | 179.9 | 3.5 | 113.5 | P1526 E1527 S1533 | P1526-R1529 VanDerWaalsContact O-CB 3.27Å; P1526-R1529 WeakPolarHBondContact O-CB 3.2Å; E1527-R1529 PolarHBondContact O-N 3.49Å; R1529-S1533 PolarHBondContact O-N 3.41Å; R1529-S1533 VanDerWaalsContact O-N 3.12Å; R1529-S1533 PolarHBondContact O-OG 3.36Å |
| 1530 | S | 44.5 | Very low | 44.3 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -50.8 | 173.9 | 49.9 | 0 | 0 | 0 | 0 | 111 | T1528 H1532 S1533 Q1534 | T1528-S1530 VanDerWaalsContact C-N 3.34Å; T1528-S1530 PolarHBondContact O-N 2.83Å; S1530-H1532 VanDerWaalsContact C-N 3.34Å; S1530-H1532 PolarHBondContact O-N 3.23Å; S1530-S1533 PolarHBondContact O-N 3.32Å; S1530-Q1534 WeakPolarHBondContact O-CB 3.4Å; S1530-Q1534 PolarHBondContact O-N 2.86Å |
| 1531 | L | 40.3 | Very low | 45.3 | Very low | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.414 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.7 | -43.5 | 179.6 | -163.1 | 78.2 | 0 | 0 | 0 | 111.8 | T1528 Q1534 I1535 | T1528-L1531 WeakPolarHBondContact O-CB 3.38Å; T1528-L1531 PolarHBondContact O-N 2.82Å; T1528-L1531 VanDerWaalsContact O-N 3.14Å; L1531-Q1534 PolarHBondContact O-N 2.84Å; L1531-I1535 HydrophobicContact CD2-CD1 4.45Å; L1531-I1535 HydrophobicContact CG-CD1 4.1Å; L1531-I1535 WeakPolarHBondContact O-CB 3.28Å; L1531-I1535 VanDerWaalsContact O-CG1 3.27Å; L1531-I1535 WeakPolarHBondContact O-CG1 3.27Å; L1531-I1535 PolarHBondContact O-N 3.26Å |
| 1532 | H | 48.8 | Very low | 45.9 | Very low | 87 Ų | 87 | 101.4 Ų | 101.4 | 40% | 0.403 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.7 | -71.2 | -60.3 | 0 | 0 | 0 | 112.5 | T1528 S1530 Q1534 I1535 E1536 | T1528-H1532 PolarHBondContact O-CD2 3.12Å; T1528-H1532 PolarHBondContact O-N 2.83Å; T1528-H1532 PolarHBondContact OG1-CD2 3.5Å; T1528-H1532 PolarHBondContact OG1-NE2 3.45Å; S1530-H1532 VanDerWaalsContact C-N 3.34Å; S1530-H1532 PolarHBondContact O-N 3.23Å; H1532-Q1534 VanDerWaalsContact C-N 3.27Å; H1532-Q1534 PolarHBondContact O-N 3Å; H1532-I1535 PolarHBondContact O-N 3.31Å; H1532-E1536 WeakPolarHBondContact O-CB 3.48Å; H1532-E1536 PolarHBondContact O-N 3.09Å |
| 1533 | S | 54.8 | Low | 46.6 | Very low | 58 Ų | 58 | 103.8 Ų | 103.8 | 41% | 0.406 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -28 | 175.3 | -69 | 0 | 0 | 0 | 0 | 113.2 | R1529 S1530 L1537 | R1529-S1533 PolarHBondContact O-N 3.41Å; R1529-S1533 VanDerWaalsContact O-N 3.12Å; R1529-S1533 PolarHBondContact O-OG 3.36Å; S1530-S1533 PolarHBondContact O-N 3.32Å; S1533-L1537 WeakPolarHBondContact O-CB 3.43Å; S1533-L1537 WeakPolarHBondContact O-CG 3.43Å; S1533-L1537 PolarHBondContact O-N 3.1Å |
| 1534 | Q | 49.4 | Very low | 47.3 | Very low | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.9 | -39.9 | 176 | -156 | 171.8 | 5.4 | 0 | 0 | 111.5 | S1530 L1531 H1532 L1537 Y1538 | S1530-Q1534 WeakPolarHBondContact O-CB 3.4Å; S1530-Q1534 PolarHBondContact O-N 2.86Å; L1531-Q1534 PolarHBondContact O-N 2.84Å; H1532-Q1534 VanDerWaalsContact C-N 3.27Å; H1532-Q1534 PolarHBondContact O-N 3Å; Q1534-L1537 WeakPolarHBondContact O-CB 3.46Å; Q1534-L1537 PolarHBondContact O-N 2.91Å; Q1534-Y1538 HydrophobicContact CG-CD2 4.43Å; Q1534-Y1538 HydrophobicContact CG-CE2 3.83Å; Q1534-Y1538 WeakPolarHBondContact O-CD2 3.27Å; Q1534-Y1538 PolarHBondContact O-N 2.73Å |
| 1535 | I | 50.6 | Low | 47.8 | Very low | 97 Ų | 97 | 99 Ų | 99 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 170.8 | -68.8 | 163.8 | 0 | 0 | 0 | 110.9 | L1531 H1532 Y1538 A1539 | L1531-I1535 HydrophobicContact CD2-CD1 4.45Å; L1531-I1535 HydrophobicContact CG-CD1 4.1Å; L1531-I1535 WeakPolarHBondContact O-CB 3.28Å; L1531-I1535 VanDerWaalsContact O-CG1 3.27Å; L1531-I1535 WeakPolarHBondContact O-CG1 3.27Å; L1531-I1535 PolarHBondContact O-N 3.26Å; H1532-I1535 PolarHBondContact O-N 3.31Å; I1535-Y1538 PolarHBondContact O-N 3.13Å; I1535-A1539 WeakPolarHBondContact O-CB 3.48Å; I1535-A1539 PolarHBondContact O-N 3.42Å |
| 1536 | E | 50.2 | Low | 48.3 | Very low | 129 Ų | 129 | 102.3 Ų | 102.3 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 175.9 | -172.7 | 171.6 | -141.3 | 0 | 0 | 111.8 | H1532 A1539 M1540 | H1532-E1536 WeakPolarHBondContact O-CB 3.48Å; H1532-E1536 PolarHBondContact O-N 3.09Å; E1536-A1539 PolarHBondContact O-N 3.18Å; E1536-M1540 PolarHBondContact O-N 2.89Å |
| 1537 | L | 53.8 | Low | 48.5 | Very low | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 171 | -88.2 | 163.2 | 0 | 0 | 0 | 112.5 | S1533 Q1534 A1539 M1540 H1541 | S1533-L1537 WeakPolarHBondContact O-CB 3.43Å; S1533-L1537 WeakPolarHBondContact O-CG 3.43Å; S1533-L1537 PolarHBondContact O-N 3.1Å; Q1534-L1537 WeakPolarHBondContact O-CB 3.46Å; Q1534-L1537 PolarHBondContact O-N 2.91Å; L1537-A1539 VanDerWaalsContact C-N 3.35Å; L1537-A1539 PolarHBondContact O-N 3.46Å; L1537-M1540 PolarHBondContact O-N 2.95Å; L1537-H1541 WeakPolarHBondContact O-CB 3.45Å; L1537-H1541 PolarHBondContact O-N 2.85Å |
| 1538 | Y | 47.6 | Very low | 49 | Very low | 132 Ų | 132 | 100.8 Ų | 100.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 177 | -69.5 | -51.9 | 0 | 0 | 0 | 112.6 | Q1534 I1535 H1541 L1542 | Q1534-Y1538 HydrophobicContact CG-CD2 4.43Å; Q1534-Y1538 HydrophobicContact CG-CE2 3.83Å; Q1534-Y1538 WeakPolarHBondContact O-CD2 3.27Å; Q1534-Y1538 PolarHBondContact O-N 2.73Å; I1535-Y1538 PolarHBondContact O-N 3.13Å; Y1538-H1541 PolarHBondContact O-N 3.19Å; Y1538-L1542 WeakPolarHBondContact O-CB 3.35Å; Y1538-L1542 WeakPolarHBondContact O-CG 3.37Å; Y1538-L1542 PolarHBondContact O-N 3.33Å |
| 1539 | A | 52.6 | Low | 49.1 | Very low | 55 Ų | 55 | 103.3 Ų | 103.3 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1535 E1536 L1537 F1543 | I1535-A1539 WeakPolarHBondContact O-CB 3.48Å; I1535-A1539 PolarHBondContact O-N 3.42Å; E1536-A1539 PolarHBondContact O-N 3.18Å; L1537-A1539 VanDerWaalsContact C-N 3.35Å; L1537-A1539 PolarHBondContact O-N 3.46Å; A1539-F1543 WeakPolarHBondContact O-CB 3.32Å; A1539-F1543 PolarHBondContact O-N 3.25Å |
| 1540 | M | 53.6 | Low | 49.1 | Very low | 108 Ų | 108 | 102 Ų | 102 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 170.7 | -83.7 | -158.2 | 66.1 | 0 | 0 | 111.9 | E1536 L1537 L1542 F1543 E1544 | E1536-M1540 PolarHBondContact O-N 2.89Å; L1537-M1540 PolarHBondContact O-N 2.95Å; M1540-L1542 VanDerWaalsContact C-N 3.34Å; M1540-L1542 PolarHBondContact O-N 3.02Å; M1540-F1543 PolarHBondContact O-N 3.49Å; M1540-E1544 WeakPolarHBondContact O-CG 3.47Å; M1540-E1544 PolarHBondContact O-N 3.08Å |
| 1541 | H | 51.2 | Low | 49.4 | Very low | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 179.4 | -121 | -90.8 | 0 | 0 | 0 | 112.4 | L1537 Y1538 T1545 | L1537-H1541 WeakPolarHBondContact O-CB 3.45Å; L1537-H1541 PolarHBondContact O-N 2.85Å; Y1538-H1541 PolarHBondContact O-N 3.19Å; H1541-T1545 WeakPolarHBondContact O-CB 3.45Å; H1541-T1545 PolarHBondContact O-N 2.94Å; H1541-T1545 PolarHBondContact O-OG1 3.14Å |
| 1542 | L | 46.4 | Very low | 49.7 | Very low | 104 Ų | 104 | 105.9 Ų | 105.9 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 173.4 | -79 | 166.3 | 0 | 0 | 0 | 111.2 | Y1538 M1540 E1544 T1545 E1546 | Y1538-L1542 WeakPolarHBondContact O-CB 3.35Å; Y1538-L1542 WeakPolarHBondContact O-CG 3.37Å; Y1538-L1542 PolarHBondContact O-N 3.33Å; M1540-L1542 VanDerWaalsContact C-N 3.34Å; M1540-L1542 PolarHBondContact O-N 3.02Å; L1542-E1544 PolarHBondContact O-N 2.72Å; L1542-T1545 PolarHBondContact O-N 3.16Å; L1542-T1545 VanDerWaalsContact O-N 3.14Å; L1542-E1546 PolarHBondContact O-N 3.33Å |
| 1543 | F | 49.5 | Very low | 49.3 | Very low | 122 Ų | 122 | 104.7 Ų | 104.7 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.8 | 176.4 | -106.7 | 0 | 0 | 0 | 113 | A1539 M1540 T1545 R1547 | A1539-F1543 WeakPolarHBondContact O-CB 3.32Å; A1539-F1543 PolarHBondContact O-N 3.25Å; M1540-F1543 PolarHBondContact O-N 3.49Å; F1543-T1545 VanDerWaalsContact C-N 3.32Å; F1543-R1547 VanDerWaalsContact O-CB 3.31Å; F1543-R1547 WeakPolarHBondContact O-CB 3.34Å; F1543-R1547 PolarHBondContact O-N 2.97Å |
| 1544 | E | 51.1 | Low | 48.6 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.7 | -32.9 | 174.5 | -71.5 | -169.2 | 156 | 0 | 0 | 112.2 | M1540 L1542 S1548 | M1540-E1544 WeakPolarHBondContact O-CG 3.47Å; M1540-E1544 PolarHBondContact O-N 3.08Å; L1542-E1544 PolarHBondContact O-N 2.72Å; E1544-S1548 VanDerWaalsContact O-CB 3.25Å; E1544-S1548 WeakPolarHBondContact O-CB 3.35Å; E1544-S1548 PolarHBondContact O-N 2.92Å |
| 1545 | T | 49.1 | Very low | 48.5 | Very low | 52 Ų | 52 | 108.6 Ų | 108.6 | 32% | 0.319 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.7 | -45.9 | 175.7 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | H1541 L1542 F1543 R1547 S1548 L1549 | H1541-T1545 WeakPolarHBondContact O-CB 3.45Å; H1541-T1545 PolarHBondContact O-N 2.94Å; H1541-T1545 PolarHBondContact O-OG1 3.14Å; L1542-T1545 PolarHBondContact O-N 3.16Å; L1542-T1545 VanDerWaalsContact O-N 3.14Å; F1543-T1545 VanDerWaalsContact C-N 3.32Å; T1545-R1547 VanDerWaalsContact C-N 3.32Å; T1545-R1547 PolarHBondContact O-N 3.34Å; T1545-S1548 PolarHBondContact O-N 3.47Å; T1545-L1549 HydrophobicContact CG2-CD1 4.02Å; T1545-L1549 HydrophobicContact CG2-CG 4.49Å; T1545-L1549 WeakPolarHBondContact O-CB 3.15Å; T1545-L1549 WeakPolarHBondContact O-CG 3.38Å; T1545-L1549 PolarHBondContact O-N 2.93Å |
| 1546 | E | 46.3 | Very low | 48 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.5 | -47.8 | 171.1 | -76.1 | -172.6 | 135.5 | 0 | 0 | 110.9 | L1542 S1548 L1549 M1550 | L1542-E1546 PolarHBondContact O-N 3.33Å; E1546-S1548 PolarHBondContact O-N 3.28Å; E1546-L1549 PolarHBondContact O-N 2.97Å; E1546-M1550 WeakPolarHBondContact O-CB 3.26Å; E1546-M1550 WeakPolarHBondContact O-CG 3.35Å; E1546-M1550 PolarHBondContact O-N 3.48Å |
| 1547 | R | 49.1 | Very low | 47.3 | Very low | 157 Ų | 157 | 114.6 Ų | 114.6 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 179.4 | -161.5 | -179.6 | 77.6 | 163.8 | 1.6 | 112.4 | F1543 T1545 V1551 | F1543-R1547 VanDerWaalsContact O-CB 3.31Å; F1543-R1547 WeakPolarHBondContact O-CB 3.34Å; F1543-R1547 PolarHBondContact O-N 2.97Å; T1545-R1547 VanDerWaalsContact C-N 3.32Å; T1545-R1547 PolarHBondContact O-N 3.34Å; R1547-V1551 WeakPolarHBondContact O-CB 3.48Å; R1547-V1551 VanDerWaalsContact O-CG2 3.26Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.25Å; R1547-V1551 PolarHBondContact O-N 3.31Å; R1547-V1551 VanDerWaalsContact O-N 3.12Å |
| 1548 | S | 49.2 | Very low | 46.9 | Very low | 61 Ų | 61 | 117.1 Ų | 117.1 | 43% | 0.427 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -41.3 | 177.1 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | E1544 T1545 E1546 V1551 Q1552 | E1544-S1548 VanDerWaalsContact O-CB 3.25Å; E1544-S1548 WeakPolarHBondContact O-CB 3.35Å; E1544-S1548 PolarHBondContact O-N 2.92Å; T1545-S1548 PolarHBondContact O-N 3.47Å; E1546-S1548 PolarHBondContact O-N 3.28Å; S1548-V1551 PolarHBondContact O-N 3.42Å; S1548-Q1552 WeakPolarHBondContact O-CG 3.37Å; S1548-Q1552 PolarHBondContact O-N 3.39Å; S1548-Q1552 VanDerWaalsContact O-N 3.08Å |
| 1549 | L | 44.9 | Very low | 46.9 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -41.6 | 176.1 | -70.2 | 169.7 | 0 | 0 | 0 | 112 | T1545 E1546 V1551 Q1552 A1553 | T1545-L1549 HydrophobicContact CG2-CD1 4.02Å; T1545-L1549 HydrophobicContact CG2-CG 4.49Å; T1545-L1549 WeakPolarHBondContact O-CB 3.15Å; T1545-L1549 WeakPolarHBondContact O-CG 3.38Å; T1545-L1549 PolarHBondContact O-N 2.93Å; E1546-L1549 PolarHBondContact O-N 2.97Å; L1549-V1551 VanDerWaalsContact C-N 3.25Å; L1549-V1551 PolarHBondContact O-N 2.86Å; L1549-Q1552 PolarHBondContact O-N 3.44Å; L1549-Q1552 VanDerWaalsContact O-N 3.11Å; L1549-A1553 WeakPolarHBondContact O-CB 3.44Å; L1549-A1553 PolarHBondContact O-N 2.95Å |
| 1550 | M | 48.2 | Very low | 46.8 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.3 | -30.2 | 173.3 | -79.3 | -167.8 | 152.4 | 0 | 0 | 113.3 | E1546 | E1546-M1550 WeakPolarHBondContact O-CB 3.26Å; E1546-M1550 WeakPolarHBondContact O-CG 3.35Å; E1546-M1550 PolarHBondContact O-N 3.48Å |
| 1551 | V | 50.1 | Low | 46.8 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.9 | -26 | 174.3 | 168.1 | 0 | 0 | 0 | 0 | 112.4 | R1547 S1548 L1549 S1554 | R1547-V1551 WeakPolarHBondContact O-CB 3.48Å; R1547-V1551 VanDerWaalsContact O-CG2 3.26Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.25Å; R1547-V1551 PolarHBondContact O-N 3.31Å; R1547-V1551 VanDerWaalsContact O-N 3.12Å; S1548-V1551 PolarHBondContact O-N 3.42Å; L1549-V1551 VanDerWaalsContact C-N 3.25Å; L1549-V1551 PolarHBondContact O-N 2.86Å; V1551-S1554 PolarHBondContact O-OG 2.94Å |
| 1552 | Q | 46.3 | Very low | 46.8 | Very low | 147 Ų | 147 | 118.3 Ų | 118.3 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -86.5 | -23 | 176.1 | -70.6 | -179.5 | 8.3 | 0 | 0 | 113.5 | S1548 L1549 S1554 | S1548-Q1552 WeakPolarHBondContact O-CG 3.37Å; S1548-Q1552 PolarHBondContact O-N 3.39Å; S1548-Q1552 VanDerWaalsContact O-N 3.08Å; L1549-Q1552 PolarHBondContact O-N 3.44Å; L1549-Q1552 VanDerWaalsContact O-N 3.11Å; Q1552-S1554 VanDerWaalsContact C-N 3.31Å; Q1552-S1554 PolarHBondContact O-N 2.86Å |
| 1553 | A | 41.9 | Very low | 47 | Very low | 63 Ų | 63 | 117.4 Ų | 117.4 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -81.3 | -2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1549 D1555 | L1549-A1553 WeakPolarHBondContact O-CB 3.44Å; L1549-A1553 PolarHBondContact O-N 2.95Å; A1553-D1555 VanDerWaalsContact C-N 3.31Å; A1553-D1555 PolarHBondContact O-N 2.87Å |
| 1554 | S | 40.1 | Very low | 47.2 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 11.4 | -165 | 69.9 | 0 | 0 | 0 | 0 | 116.8 | V1551 Q1552 | V1551-S1554 PolarHBondContact O-OG 2.94Å; Q1552-S1554 VanDerWaalsContact C-N 3.31Å; Q1552-S1554 PolarHBondContact O-N 2.86Å |
| 1555 | D | 46.4 | Very low | 47.1 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -1.2 | -175.6 | -106.6 | -10.7 | 0 | 0 | 0 | 114.2 | A1553 | A1553-D1555 VanDerWaalsContact C-N 3.31Å; A1553-D1555 PolarHBondContact O-N 2.87Å |
| 1556 | F | 39.4 | Very low | 46.8 | Very low | 192 Ų | 192 | 116 Ų | 116 | 84% | 0.842 | 62% | 0.621 | S | S | * | * | trans | -140.8 | 112.7 | 175.2 | -66.8 | -80.5 | 0 | 0 | 0 | 111.7 | ||||
| 1557 | D | 37.1 | Very low | 46.5 | Very low | 160 Ų | 160 | 114.8 Ų | 114.8 | 86% | 0.856 | 62% | 0.618 | S | S | * | * | trans | -70.2 | 157.6 | 173.9 | -69.1 | -55.3 | 0 | 0 | 0 | 112.7 | ||||
| 1558 | D | 44.2 | Very low | 46.3 | Very low | 166 Ų | 166 | 110.3 Ų | 110.3 | 89% | 0.888 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 61.7 | 53.5 | 166.1 | -73.9 | -17.9 | 0 | 0 | 0 | 118.4 | ||
| 1559 | D | 49.1 | Very low | 45.9 | Very low | 95 Ų | 95 | 111.2 Ų | 111.2 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | trans | -153.4 | 74.9 | 156 | -139.7 | -21.7 | 0 | 0 | 0 | 116.4 | H1561 A1562 V1563 | D1559-H1561 PolarHBondContact O-N 3.31Å; D1559-H1561 WeakPolarHBondContact OD1-CB 3.3Å; D1559-H1561 PolarHBondContact OD1-N 2.94Å; D1559-A1562 HydrophobicContact CB-CB 3.69Å; D1559-A1562 WeakPolarHBondContact O-CB 3.34Å; D1559-A1562 PolarHBondContact O-N 2.89Å; D1559-A1562 PolarHBondContact OD1-N 2.93Å; D1559-A1562 VanDerWaalsContact OD1-N 3.12Å; D1559-V1563 PolarHBondContact O-N 2.74Å | ||
| 1560 | E | 49.8 | Very low | 45.7 | Very low | 165 Ų | 165 | 111.2 Ų | 111.2 | 77% | 0.771 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54.9 | -31.3 | 164.9 | -76 | -169.7 | 137 | 0 | 0 | 111.5 | A1562 V1563 I1564 | E1560-A1562 VanDerWaalsContact C-N 3.33Å; E1560-A1562 PolarHBondContact O-N 3.41Å; E1560-V1563 PolarHBondContact O-N 3.12Å; E1560-I1564 WeakPolarHBondContact O-CB 3.27Å; E1560-I1564 VanDerWaalsContact O-CG1 3.32Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.41Å; E1560-I1564 PolarHBondContact O-N 3.1Å |
| 1561 | H | 53.7 | Low | 45.2 | Very low | 136 Ų | 136 | 108.1 Ų | 108.1 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.6 | -23.7 | 176.7 | -69.5 | -48.4 | 0 | 0 | 0 | 113 | D1559 S1565 | D1559-H1561 PolarHBondContact O-N 3.31Å; D1559-H1561 WeakPolarHBondContact OD1-CB 3.3Å; D1559-H1561 PolarHBondContact OD1-N 2.94Å; H1561-S1565 WeakPolarHBondContact O-CA 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 3.45Å; H1561-S1565 PolarHBondContact O-OG 2.95Å |
| 1562 | A | 51.7 | Low | 44.5 | Very low | 46 Ų | 46 | 108.3 Ų | 108.3 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.3 | -39.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1559 E1560 S1565 S1566 | D1559-A1562 HydrophobicContact CB-CB 3.69Å; D1559-A1562 WeakPolarHBondContact O-CB 3.34Å; D1559-A1562 PolarHBondContact O-N 2.89Å; D1559-A1562 PolarHBondContact OD1-N 2.93Å; D1559-A1562 VanDerWaalsContact OD1-N 3.12Å; E1560-A1562 VanDerWaalsContact C-N 3.33Å; E1560-A1562 PolarHBondContact O-N 3.41Å; A1562-S1565 PolarHBondContact O-N 3.39Å; A1562-S1566 WeakPolarHBondContact O-CB 3.34Å; A1562-S1566 PolarHBondContact O-N 2.96Å |
| 1563 | V | 50.3 | Low | 43.8 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -48 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | D1559 E1560 S1566 L1567 | D1559-V1563 PolarHBondContact O-N 2.74Å; E1560-V1563 PolarHBondContact O-N 3.12Å; V1563-S1566 PolarHBondContact O-N 3.27Å; V1563-L1567 HydrophobicContact CG1-CD1 4.31Å; V1563-L1567 WeakPolarHBondContact O-CG 3.28Å; V1563-L1567 PolarHBondContact O-N 3.05Å |
| 1564 | I | 53.6 | Low | 43.2 | Very low | 97 Ų | 97 | 111 Ų | 111 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 177.2 | -67 | 166.3 | 0 | 0 | 0 | 111.5 | E1560 S1568 | E1560-I1564 WeakPolarHBondContact O-CB 3.27Å; E1560-I1564 VanDerWaalsContact O-CG1 3.32Å; E1560-I1564 WeakPolarHBondContact O-CG1 3.41Å; E1560-I1564 PolarHBondContact O-N 3.1Å; I1564-S1568 VanDerWaalsContact O-CB 3.24Å; I1564-S1568 WeakPolarHBondContact O-CB 3.34Å; I1564-S1568 PolarHBondContact O-N 3.05Å |
| 1565 | S | 49.2 | Very low | 42.7 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 49% | 0.49 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.9 | -36.5 | 178.8 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | H1561 A1562 S1568 S1569 | H1561-S1565 WeakPolarHBondContact O-CA 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 3.45Å; H1561-S1565 PolarHBondContact O-OG 2.95Å; A1562-S1565 PolarHBondContact O-N 3.39Å; S1565-S1568 PolarHBondContact O-N 2.87Å; S1565-S1569 PolarHBondContact O-N 3.18Å; S1565-S1569 PolarHBondContact O-OG 3.07Å; S1565-S1569 VanDerWaalsContact O-OG 3.13Å |
| 1566 | S | 43 | Very low | 41.9 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.4 | -43.5 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | A1562 V1563 S1569 T1570 | A1562-S1566 WeakPolarHBondContact O-CB 3.34Å; A1562-S1566 PolarHBondContact O-N 2.96Å; V1563-S1566 PolarHBondContact O-N 3.27Å; S1566-S1569 PolarHBondContact O-OG 2.99Å; S1566-T1570 WeakPolarHBondContact O-CB 3.49Å; S1566-T1570 PolarHBondContact O-N 3.45Å; S1566-T1570 PolarHBondContact O-OG1 3.04Å |
| 1567 | L | 39.7 | Very low | 41.5 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -59.7 | -49.2 | 168 | -75.3 | 163.6 | 0 | 0 | 0 | 111 | V1563 S1569 T1570 L1571 | V1563-L1567 HydrophobicContact CG1-CD1 4.31Å; V1563-L1567 WeakPolarHBondContact O-CG 3.28Å; V1563-L1567 PolarHBondContact O-N 3.05Å; L1567-S1569 PolarHBondContact O-N 3.2Å; L1567-T1570 PolarHBondContact O-N 3.15Å; L1567-L1571 WeakPolarHBondContact O-CD1 3.45Å; L1567-L1571 VanDerWaalsContact O-CG 3.23Å; L1567-L1571 WeakPolarHBondContact O-CG 3.36Å; L1567-L1571 PolarHBondContact O-N 3.28Å; L1567-L1571 VanDerWaalsContact O-N 3.13Å |
| 1568 | S | 45.4 | Very low | 41.1 | Very low | 63 Ų | 63 | 112.8 Ų | 112.8 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | -175.4 | -168.4 | 0 | 0 | 0 | 0 | 114 | I1564 S1565 T1570 L1571 T1572 | I1564-S1568 VanDerWaalsContact O-CB 3.24Å; I1564-S1568 WeakPolarHBondContact O-CB 3.34Å; I1564-S1568 PolarHBondContact O-N 3.05Å; S1565-S1568 PolarHBondContact O-N 2.87Å; S1568-T1570 VanDerWaalsContact C-N 3.28Å; S1568-T1570 PolarHBondContact O-N 3.48Å; S1568-L1571 PolarHBondContact O-N 3.46Å; S1568-T1572 WeakPolarHBondContact O-CG2 3.39Å; S1568-T1572 PolarHBondContact O-OG1 3.41Å |
| 1569 | S | 40.4 | Very low | 40.5 | Very low | 80 Ų | 80 | 108 Ų | 108 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.4 | -26.4 | 177.2 | 59 | 0 | 0 | 0 | 0 | 112.4 | S1565 S1566 L1567 L1571 T1572 | S1565-S1569 PolarHBondContact O-N 3.18Å; S1565-S1569 PolarHBondContact O-OG 3.07Å; S1565-S1569 VanDerWaalsContact O-OG 3.13Å; S1566-S1569 PolarHBondContact O-OG 2.99Å; L1567-S1569 PolarHBondContact O-N 3.2Å; S1569-L1571 VanDerWaalsContact C-N 3.32Å; S1569-T1572 PolarHBondContact O-OG1 2.76Å |
| 1570 | T | 41.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.3 | -16.5 | 176.1 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | S1566 L1567 S1568 | S1566-T1570 WeakPolarHBondContact O-CB 3.49Å; S1566-T1570 PolarHBondContact O-N 3.45Å; S1566-T1570 PolarHBondContact O-OG1 3.04Å; L1567-T1570 PolarHBondContact O-N 3.15Å; S1568-T1570 VanDerWaalsContact C-N 3.28Å; S1568-T1570 PolarHBondContact O-N 3.48Å |
| 1571 | L | 35.9 | Very low | 38.4 | Very low | 88 Ų | 88 | 107.3 Ų | 107.3 | 46% | 0.461 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.9 | -6.3 | 179.8 | -75.3 | 166.2 | 0 | 0 | 0 | 114.7 | L1567 S1568 S1569 | L1567-L1571 WeakPolarHBondContact O-CD1 3.45Å; L1567-L1571 VanDerWaalsContact O-CG 3.23Å; L1567-L1571 WeakPolarHBondContact O-CG 3.36Å; L1567-L1571 PolarHBondContact O-N 3.28Å; L1567-L1571 VanDerWaalsContact O-N 3.13Å; S1568-L1571 PolarHBondContact O-N 3.46Å; S1569-L1571 VanDerWaalsContact C-N 3.32Å |
| 1572 | T | 36.5 | Very low | 37.1 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -116.8 | 29.4 | -166.3 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | S1568 S1569 | S1568-T1572 WeakPolarHBondContact O-CG2 3.39Å; S1568-T1572 PolarHBondContact O-OG1 3.41Å; S1569-T1572 PolarHBondContact O-OG1 2.76Å |
| 1573 | S | 31.2 | Very low | 36.2 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | trans | -128.9 | 86 | -179.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1574 | D | 30.2 | Very low | 35.3 | Very low | 160 Ų | 160 | 112.3 Ų | 112.3 | 86% | 0.856 | 66% | 0.661 | S | S | * | * | trans | -75.6 | 129.7 | 176.9 | -72.7 | -55.5 | 0 | 0 | 0 | 112.5 | ||||
| 1575 | C | 29.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -154.8 | 123.8 | 160.9 | -164.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1576 | P | 28.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | trans | -100.7 | 140.9 | -171.3 | 36.3 | -33 | 0 | 0 | 0 | 113.9 | ||||
| 1577 | L | 32.3 | Very low | 33.1 | Very low | 179 Ų | 179 | 115 Ų | 115 | 94% | 0.937 | 70% | 0.696 | S | S | * | * | trans | -158.6 | 163.1 | 159.5 | -111.1 | 165 | 0 | 0 | 0 | 111.6 | ||||
| 1578 | K | 28.7 | Very low | 32.9 | Very low | 207 Ų | 207 | 115.8 Ų | 115.8 | 90% | 0.9 | 71% | 0.705 | S | S | * | * | trans | -113.8 | 126.2 | -169 | -60.1 | 171.1 | -176.7 | 170.6 | 0 | 111.4 | ||||
| 1579 | G | 30.5 | Very low | 32.5 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -179.2 | 144.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1580 | P | 28 | Very low | 32.3 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 52% | 0.519 | 69% | 0.694 | S | S | . | * | trans | -98.1 | 150.2 | -175.2 | 36.6 | -33.9 | 0 | 0 | 0 | 114.9 | ||||
| 1581 | L | 26.3 | Very low | 32.1 | Very low | 164 Ų | 164 | 117.4 Ų | 117.4 | 86% | 0.859 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 73.4 | 151.5 | 160.6 | -63.9 | 164.4 | 0 | 0 | 0 | 119.9 | ||
| 1582 | N | 28 | Very low | 32.5 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 67.8 | 73.5 | 162.9 | -162.3 | 51.2 | 0 | 0 | 0 | 119.6 | ||||
| 1583 | V | 31.1 | Very low | 33 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | trans | -131.2 | 104.3 | 158 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | S1585 | V1583-S1585 WeakPolarHBondContact CG1-O 3.27Š| ||
| 1584 | Q | 31.9 | Very low | 33.5 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 55% | 0.547 | 68% | 0.675 | S | S | . | * | trans | -77 | 142.1 | 151.1 | -66.2 | 166.9 | -14.5 | 0 | 0 | 108.6 | R1097 | R1097-Q1584 PolarHBondContact NH2-O 3.43Š| ||
| 1585 | S | 31.9 | Very low | 34.3 | Very low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 82 | 135.9 | 179 | -50.9 | 0 | 0 | 0 | 0 | 116.7 | V1583 | V1583-S1585 WeakPolarHBondContact CG1-O 3.27Š|
| 1586 | G | 32.5 | Very low | 35.3 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 81% | 0.814 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 134.4 | -61.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1587 | T | 35.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | trans | -131.4 | 118.8 | -160.6 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1588 | V | 35.3 | Very low | 36.9 | Very low | 119 Ų | 119 | 99.4 Ų | 99.4 | 72% | 0.721 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 122.2 | 172.8 | -179 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1589 | R | 36.6 | Very low | 38.1 | Very low | 143 Ų | 143 | 94.2 Ų | 94.2 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -96.9 | 147.3 | 178.9 | -61 | 178.3 | -177.2 | -178.5 | -1.4 | 109.7 | Q1593 L1594 | R1589-Q1593 HydrophobicContact CB-CB 3.95Å; R1589-L1594 HydrophobicContact CB-CG 4.36Å; R1589-L1594 WeakPolarHBondContact O-CD1 3.34Å |
| 1590 | S | 36 | Very low | 39.4 | Very low | 32 Ų | 32 | 94 Ų | 94 | 22% | 0.224 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -61.5 | 159.6 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | A1592 Q1593 L1594 | S1590-A1592 PolarHBondContact O-N 3.37Å; S1590-A1592 VanDerWaalsContact O-N 3.13Å; S1590-Q1593 CarbonylContact O-C 3.57Å; S1590-Q1593 WeakPolarHBondContact O-CA 3.22Å; S1590-Q1593 PolarHBondContact O-N 3.42Å; S1590-Q1593 WeakPolarHBondContact OG-CB 3.5Å; S1590-Q1593 VanDerWaalsContact OG-CD 3.24Å; S1590-Q1593 VanDerWaalsContact OG-CG 3.32Å; S1590-Q1593 WeakPolarHBondContact OG-CG 3.29Å; S1590-Q1593 PolarHBondContact OG-N 3.13Å; S1590-Q1593 PolarHBondContact OG-OE1 3.13Å; S1590-L1594 WeakPolarHBondContact O-CB 3.38Å; S1590-L1594 PolarHBondContact O-N 2.98Å |
| 1591 | P | 38.2 | Very low | 40.7 | Very low | 104 Ų | 104 | 92.7 Ų | 92.7 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.1 | -34.6 | 179.2 | -29.6 | 37.1 | 0 | 0 | 0 | 114.9 | L1594 L1595 | P1591-L1594 PolarHBondContact O-N 3.2Å; P1591-L1595 WeakPolarHBondContact O-CG 3.35Å; P1591-L1595 PolarHBondContact O-N 3.17Å |
| 1592 | A | 43.5 | Very low | 42 | Very low | 72 Ų | 72 | 89.5 Ų | 89.5 | 60% | 0.595 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1590 L1594 S1596 | S1590-A1592 PolarHBondContact O-N 3.37Å; S1590-A1592 VanDerWaalsContact O-N 3.13Å; A1592-L1594 VanDerWaalsContact C-N 3.33Å; A1592-S1596 VanDerWaalsContact O-CB 3.28Å; A1592-S1596 WeakPolarHBondContact O-CB 3.45Å; A1592-S1596 PolarHBondContact O-N 3.06Å |
| 1593 | Q | 46.6 | Very low | 43.6 | Very low | 85 Ų | 85 | 89 Ų | 89 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.7 | -23.7 | 171.5 | -70 | 161.8 | -35.3 | 0 | 0 | 112.4 | R1589 S1590 A1597 | R1589-Q1593 HydrophobicContact CB-CB 3.95Å; S1590-Q1593 CarbonylContact O-C 3.57Å; S1590-Q1593 WeakPolarHBondContact O-CA 3.22Å; S1590-Q1593 PolarHBondContact O-N 3.42Å; S1590-Q1593 WeakPolarHBondContact OG-CB 3.5Å; S1590-Q1593 VanDerWaalsContact OG-CD 3.24Å; S1590-Q1593 VanDerWaalsContact OG-CG 3.32Å; S1590-Q1593 WeakPolarHBondContact OG-CG 3.29Å; S1590-Q1593 PolarHBondContact OG-N 3.13Å; S1590-Q1593 PolarHBondContact OG-OE1 3.13Å; Q1593-A1597 WeakPolarHBondContact O-CA 3.39Å; Q1593-A1597 WeakPolarHBondContact O-CB 3.47Å; Q1593-A1597 PolarHBondContact O-N 3.13Å |
| 1594 | L | 42.1 | Very low | 45 | Very low | 79 Ų | 79 | 86.4 Ų | 86.4 | 41% | 0.414 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -49.4 | 171.2 | -85.3 | 166.4 | 0 | 0 | 0 | 110 | R1589 S1590 P1591 A1592 A1597 T1598 | R1589-L1594 HydrophobicContact CB-CG 4.36Å; R1589-L1594 WeakPolarHBondContact O-CD1 3.34Å; S1590-L1594 WeakPolarHBondContact O-CB 3.38Å; S1590-L1594 PolarHBondContact O-N 2.98Å; P1591-L1594 PolarHBondContact O-N 3.2Å; A1592-L1594 VanDerWaalsContact C-N 3.33Å; L1594-A1597 CarbonylContact O-C 3.54Å; L1594-A1597 PolarHBondContact O-N 3.37Å; L1594-A1597 VanDerWaalsContact O-N 3.09Å; L1594-T1598 PolarHBondContact O-N 2.66Å; L1594-T1598 PolarHBondContact O-OG1 3.26Å |
| 1595 | L | 46.4 | Very low | 46.4 | Very low | 112 Ų | 112 | 86.8 Ų | 86.8 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.5 | -49.8 | 171.3 | -75.7 | 165.5 | 0 | 0 | 0 | 111.1 | P1591 A1597 T1598 D1599 | P1591-L1595 WeakPolarHBondContact O-CG 3.35Å; P1591-L1595 PolarHBondContact O-N 3.17Å; L1595-A1597 PolarHBondContact O-N 2.99Å; L1595-T1598 WeakPolarHBondContact CA-OG1 3.47Å; L1595-T1598 PolarHBondContact O-N 2.94Å; L1595-T1598 PolarHBondContact O-OG1 3.32Å; L1595-D1599 WeakPolarHBondContact O-CB 3.46Å; L1595-D1599 PolarHBondContact O-N 2.91Å |
| 1596 | S | 51.1 | Low | 47.4 | Very low | 75 Ų | 75 | 85.6 Ų | 85.6 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -24.6 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 113.5 | A1592 C1600 | A1592-S1596 VanDerWaalsContact O-CB 3.28Å; A1592-S1596 WeakPolarHBondContact O-CB 3.45Å; A1592-S1596 PolarHBondContact O-N 3.06Å; S1596-C1600 WeakPolarHBondContact O-CB 3.3Å; S1596-C1600 PolarHBondContact O-N 3.17Å |
| 1597 | A | 46.9 | Very low | 48.9 | Very low | 27 Ų | 27 | 85.3 Ų | 85.3 | 22% | 0.223 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -86.5 | -29.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1593 L1594 L1595 A1601 | Q1593-A1597 WeakPolarHBondContact O-CA 3.39Å; Q1593-A1597 WeakPolarHBondContact O-CB 3.47Å; Q1593-A1597 PolarHBondContact O-N 3.13Å; L1594-A1597 CarbonylContact O-C 3.54Å; L1594-A1597 PolarHBondContact O-N 3.37Å; L1594-A1597 VanDerWaalsContact O-N 3.09Å; L1595-A1597 PolarHBondContact O-N 2.99Å; A1597-A1601 WeakPolarHBondContact O-CA 3.27Å; A1597-A1601 WeakPolarHBondContact O-CB 3.45Å; A1597-A1601 PolarHBondContact O-N 2.97Å |
| 1598 | T | 47.1 | Very low | 50.2 | Low | 49 Ų | 49 | 83.7 Ų | 83.7 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 168.6 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | L1594 L1595 A1601 Q1602 | L1594-T1598 PolarHBondContact O-N 2.66Å; L1594-T1598 PolarHBondContact O-OG1 3.26Å; L1595-T1598 WeakPolarHBondContact CA-OG1 3.47Å; L1595-T1598 PolarHBondContact O-N 2.94Å; L1595-T1598 PolarHBondContact O-OG1 3.32Å; T1598-A1601 PolarHBondContact O-N 2.97Å; T1598-Q1602 VanDerWaalsContact O-CB 3.25Å; T1598-Q1602 WeakPolarHBondContact O-CB 3.44Å; T1598-Q1602 VanDerWaalsContact O-CG 3.27Å; T1598-Q1602 WeakPolarHBondContact O-CG 3.24Å; T1598-Q1602 PolarHBondContact O-N 2.92Å |
| 1599 | D | 55.1 | Low | 51.4 | Low | 97 Ų | 97 | 82.6 Ų | 82.6 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.3 | -65.8 | 1 | 0 | 0 | 0 | 110.8 | L1595 K1603 | L1595-D1599 WeakPolarHBondContact O-CB 3.46Å; L1595-D1599 PolarHBondContact O-N 2.91Å; D1599-K1603 WeakPolarHBondContact O-CB 3.27Å; D1599-K1603 PolarHBondContact O-N 3.17Å |
| 1600 | C | 57.5 | Low | 52.5 | Low | 64 Ų | 64 | 79.3 Ų | 79.3 | 43% | 0.432 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 175.7 | -171 | 0 | 0 | 0 | 0 | 112.7 | S1596 N1604 | S1596-C1600 WeakPolarHBondContact O-CB 3.3Å; S1596-C1600 PolarHBondContact O-N 3.17Å; C1600-N1604 VanDerWaalsContact O-CB 3.26Å; C1600-N1604 WeakPolarHBondContact O-CB 3.46Å; C1600-N1604 PolarHBondContact O-N 3.44Å; C1600-N1604 PolarHBondContact O-ND2 2.89Å |
| 1601 | A | 54.6 | Low | 54 | Low | 52 Ų | 52 | 83.1 Ų | 83.1 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -50.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1597 T1598 K1603 N1604 E1605 | A1597-A1601 WeakPolarHBondContact O-CA 3.27Å; A1597-A1601 WeakPolarHBondContact O-CB 3.45Å; A1597-A1601 PolarHBondContact O-N 2.97Å; T1598-A1601 PolarHBondContact O-N 2.97Å; A1601-K1603 VanDerWaalsContact C-N 3.32Å; A1601-K1603 PolarHBondContact O-N 3.41Å; A1601-N1604 PolarHBondContact O-N 2.97Å; A1601-E1605 WeakPolarHBondContact O-CB 3.33Å; A1601-E1605 PolarHBondContact O-N 3.5Å |
| 1602 | Q | 54.9 | Low | 55.3 | Low | 96 Ų | 96 | 83 Ų | 83 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 173.7 | -73.5 | 178.2 | -4.8 | 0 | 0 | 111.2 | T1598 E1605 L1606 | T1598-Q1602 VanDerWaalsContact O-CB 3.25Å; T1598-Q1602 WeakPolarHBondContact O-CB 3.44Å; T1598-Q1602 VanDerWaalsContact O-CG 3.27Å; T1598-Q1602 WeakPolarHBondContact O-CG 3.24Å; T1598-Q1602 PolarHBondContact O-N 2.92Å; Q1602-E1605 PolarHBondContact O-N 3.13Å; Q1602-L1606 WeakPolarHBondContact O-CB 3.47Å; Q1602-L1606 WeakPolarHBondContact O-CD1 3.26Å; Q1602-L1606 VanDerWaalsContact O-CG 3.26Å; Q1602-L1606 WeakPolarHBondContact O-CG 3.49Å; Q1602-L1606 PolarHBondContact O-N 3.19Å |
| 1603 | K | 59.9 | Low | 56.2 | Low | 122 Ų | 122 | 82 Ų | 82 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.8 | -176.5 | 165.8 | -177.2 | 165.7 | 0 | 112.2 | D1599 A1601 T1607 | D1599-K1603 WeakPolarHBondContact O-CB 3.27Å; D1599-K1603 PolarHBondContact O-N 3.17Å; A1601-K1603 VanDerWaalsContact C-N 3.32Å; A1601-K1603 PolarHBondContact O-N 3.41Å; K1603-T1607 VanDerWaalsContact O-CB 3.23Å; K1603-T1607 WeakPolarHBondContact O-CB 3.16Å; K1603-T1607 PolarHBondContact O-N 2.99Å; K1603-T1607 PolarHBondContact O-OG1 3.44Å |
| 1604 | N | 62.1 | Low | 57.1 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 177.5 | -73.6 | -23.8 | 0 | 0 | 0 | 112.1 | C1600 A1601 T1607 M1608 | C1600-N1604 VanDerWaalsContact O-CB 3.26Å; C1600-N1604 WeakPolarHBondContact O-CB 3.46Å; C1600-N1604 PolarHBondContact O-N 3.44Å; C1600-N1604 PolarHBondContact O-ND2 2.89Å; A1601-N1604 PolarHBondContact O-N 2.97Å; N1604-T1607 PolarHBondContact O-N 3.43Å; N1604-M1608 WeakPolarHBondContact O-CB 3.44Å; N1604-M1608 WeakPolarHBondContact O-CG 3.05Å; N1604-M1608 PolarHBondContact O-N 3.32Å |
| 1605 | E | 60 | Low | 58.4 | Low | 124 Ų | 124 | 84.5 Ų | 84.5 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.9 | -44.6 | 177.1 | -171.9 | 166.4 | -138.2 | 0 | 0 | 110.7 | A1601 Q1602 T1607 M1608 M1609 | A1601-E1605 WeakPolarHBondContact O-CB 3.33Å; A1601-E1605 PolarHBondContact O-N 3.5Å; Q1602-E1605 PolarHBondContact O-N 3.13Å; E1605-T1607 PolarHBondContact O-N 2.86Å; E1605-M1608 PolarHBondContact O-N 2.88Å; E1605-M1609 HydrophobicContact CG-CE 4.44Å; E1605-M1609 WeakPolarHBondContact O-CB 3.43Å; E1605-M1609 PolarHBondContact O-N 3.36Å |
| 1606 | L | 53.9 | Low | 59.4 | Low | 85 Ų | 85 | 81.6 Ų | 81.6 | 45% | 0.445 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 168.6 | -77.9 | 164 | 0 | 0 | 0 | 112.1 | Q1602 M1609 L1610 | Q1602-L1606 WeakPolarHBondContact O-CB 3.47Å; Q1602-L1606 WeakPolarHBondContact O-CD1 3.26Å; Q1602-L1606 VanDerWaalsContact O-CG 3.26Å; Q1602-L1606 WeakPolarHBondContact O-CG 3.49Å; Q1602-L1606 PolarHBondContact O-N 3.19Å; L1606-M1609 PolarHBondContact O-N 3.18Å; L1606-L1610 VanDerWaalsContact O-CB 3.28Å; L1606-L1610 WeakPolarHBondContact O-CB 3.46Å; L1606-L1610 PolarHBondContact O-N 3.49Å |
| 1607 | T | 63.8 | Low | 60.1 | Low | 72 Ų | 72 | 79.9 Ų | 79.9 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 179.1 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | K1603 N1604 E1605 K1611 | K1603-T1607 VanDerWaalsContact O-CB 3.23Å; K1603-T1607 WeakPolarHBondContact O-CB 3.16Å; K1603-T1607 PolarHBondContact O-N 2.99Å; K1603-T1607 PolarHBondContact O-OG1 3.44Å; N1604-T1607 PolarHBondContact O-N 3.43Å; E1605-T1607 PolarHBondContact O-N 2.86Å; T1607-K1611 VanDerWaalsContact O-CB 3.28Å; T1607-K1611 WeakPolarHBondContact O-CB 3.41Å; T1607-K1611 PolarHBondContact O-N 3.29Å |
| 1608 | M | 63.4 | Low | 61.2 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 174.6 | -70.8 | -96.1 | 49 | 0 | 0 | 110.7 | N1604 E1605 L1610 K1611 D1612 | N1604-M1608 WeakPolarHBondContact O-CB 3.44Å; N1604-M1608 WeakPolarHBondContact O-CG 3.05Å; N1604-M1608 PolarHBondContact O-N 3.32Å; E1605-M1608 PolarHBondContact O-N 2.88Å; M1608-L1610 PolarHBondContact O-N 3.03Å; M1608-K1611 HydrophobicContact CE-CD 4.41Å; M1608-K1611 CarbonylContact O-C 3.53Å; M1608-K1611 PolarHBondContact O-N 2.88Å; M1608-K1611 VanDerWaalsContact O-N 3.1Å; M1608-D1612 WeakPolarHBondContact O-CB 3.47Å; M1608-D1612 PolarHBondContact O-N 3.02Å |
| 1609 | M | 60.5 | Low | 62.4 | Low | 97 Ų | 97 | 89.3 Ų | 89.3 | 48% | 0.478 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.4 | -163.8 | -179 | -53.9 | 0 | 0 | 111.8 | E1605 L1606 L1613 | E1605-M1609 HydrophobicContact CG-CE 4.44Å; E1605-M1609 WeakPolarHBondContact O-CB 3.43Å; E1605-M1609 PolarHBondContact O-N 3.36Å; L1606-M1609 PolarHBondContact O-N 3.18Å; M1609-L1613 HydrophobicContact CG-CD1 4.3Å; M1609-L1613 VanDerWaalsContact O-CB 3.27Å; M1609-L1613 WeakPolarHBondContact O-CB 3.29Å; M1609-L1613 WeakPolarHBondContact O-CD1 3.47Å; M1609-L1613 WeakPolarHBondContact O-CG 3.21Å; M1609-L1613 PolarHBondContact O-N 3.49Å |
| 1610 | L | 58.9 | Low | 62.7 | Low | 73 Ų | 73 | 85.8 Ų | 85.8 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 169.1 | -96.3 | 158.9 | 0 | 0 | 0 | 111.6 | L1606 M1608 D1612 L1613 E1614 L1808 | L1606-L1610 VanDerWaalsContact O-CB 3.28Å; L1606-L1610 WeakPolarHBondContact O-CB 3.46Å; L1606-L1610 PolarHBondContact O-N 3.49Å; M1608-L1610 PolarHBondContact O-N 3.03Å; L1610-D1612 VanDerWaalsContact C-N 3.35Å; L1610-D1612 PolarHBondContact O-N 3.36Å; L1610-L1613 CarbonylContact O-C 3.57Å; L1610-L1613 PolarHBondContact O-N 2.65Å; L1610-E1614 WeakPolarHBondContact O-CB 3.2Å; L1610-E1614 WeakPolarHBondContact O-CG 3.29Å; L1610-E1614 PolarHBondContact O-N 3.05Å; L1610-L1808 HydrophobicContact CD2-CD1 4.42Å |
| 1611 | K | 66.6 | Low | 63.1 | Low | 113 Ų | 113 | 86.9 Ų | 86.9 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | -176.9 | -163.9 | 173.2 | -172.7 | 177.1 | 0 | 113.6 | T1607 M1608 H1615 | T1607-K1611 VanDerWaalsContact O-CB 3.28Å; T1607-K1611 WeakPolarHBondContact O-CB 3.41Å; T1607-K1611 PolarHBondContact O-N 3.29Å; M1608-K1611 HydrophobicContact CE-CD 4.41Å; M1608-K1611 CarbonylContact O-C 3.53Å; M1608-K1611 PolarHBondContact O-N 2.88Å; M1608-K1611 VanDerWaalsContact O-N 3.1Å; K1611-H1615 PolarHBondContact O-N 3.03Å; K1611-H1615 PolarHBondContact O-ND1 3.24Å |
| 1612 | D | 67.1 | Low | 63.9 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72 | -42.1 | 171.1 | -73.7 | -15.2 | 0 | 0 | 0 | 110.6 | M1608 L1610 H1615 E1616 | M1608-D1612 WeakPolarHBondContact O-CB 3.47Å; M1608-D1612 PolarHBondContact O-N 3.02Å; L1610-D1612 VanDerWaalsContact C-N 3.35Å; L1610-D1612 PolarHBondContact O-N 3.36Å; D1612-H1615 PolarHBondContact O-N 3.47Å; D1612-E1616 WeakPolarHBondContact O-CB 3.25Å; D1612-E1616 PolarHBondContact O-N 3.46Å |
| 1613 | L | 60.7 | Low | 64.5 | Low | 49 Ų | 49 | 86.4 Ų | 86.4 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 172.3 | -74.1 | 165.8 | 0 | 0 | 0 | 112.1 | M1609 L1610 E1616 N1617 L1726 | M1609-L1613 HydrophobicContact CG-CD1 4.3Å; M1609-L1613 VanDerWaalsContact O-CB 3.27Å; M1609-L1613 WeakPolarHBondContact O-CB 3.29Å; M1609-L1613 WeakPolarHBondContact O-CD1 3.47Å; M1609-L1613 WeakPolarHBondContact O-CG 3.21Å; M1609-L1613 PolarHBondContact O-N 3.49Å; L1610-L1613 CarbonylContact O-C 3.57Å; L1610-L1613 PolarHBondContact O-N 2.65Å; L1613-E1616 PolarHBondContact O-N 2.8Å; L1613-N1617 WeakPolarHBondContact O-CB 3.4Å; L1613-N1617 PolarHBondContact O-N 3.49Å; L1613-N1617 PolarHBondContact O-ND2 3.06Å; L1613-L1726 HydrophobicContact CD1-CD2 4.29Å |
| 1614 | E | 66.4 | Low | 64.7 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 171.1 | -78.6 | 177 | -166.1 | 0 | 0 | 111.7 | L1610 K1618 | L1610-E1614 WeakPolarHBondContact O-CB 3.2Å; L1610-E1614 WeakPolarHBondContact O-CG 3.29Å; L1610-E1614 PolarHBondContact O-N 3.05Å; E1614-K1618 WeakPolarHBondContact O-CB 3.36Å; E1614-K1618 WeakPolarHBondContact O-CG 3.37Å; E1614-K1618 PolarHBondContact O-N 2.84Å |
| 1615 | H | 69.1 | Low | 65.1 | Low | 119 Ų | 119 | 83.9 Ų | 83.9 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 175.6 | -93.5 | 75.2 | 0 | 0 | 0 | 111.9 | K1611 D1612 K1618 R1619 | K1611-H1615 PolarHBondContact O-N 3.03Å; K1611-H1615 PolarHBondContact O-ND1 3.24Å; D1612-H1615 PolarHBondContact O-N 3.47Å; H1615-K1618 PolarHBondContact O-N 2.78Å; H1615-R1619 VanDerWaalsContact O-CB 3.32Å; H1615-R1619 WeakPolarHBondContact O-CB 3.37Å; H1615-R1619 PolarHBondContact O-N 3.03Å |
| 1616 | E | 68.5 | Low | 65.5 | Low | 52 Ų | 52 | 85.1 Ų | 85.1 | 24% | 0.243 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 178.3 | -136.7 | -155.2 | 131.3 | 0 | 0 | 111.7 | D1612 L1613 R1619 L1620 R1722 | D1612-E1616 WeakPolarHBondContact O-CB 3.25Å; D1612-E1616 PolarHBondContact O-N 3.46Å; L1613-E1616 PolarHBondContact O-N 2.8Å; E1616-R1619 PolarHBondContact O-N 3.35Å; E1616-R1619 IonicContact OE1-NH2 3.92Å; E1616-R1619 PolarHBondContact OE1-NH2 3.02Å; E1616-L1620 VanDerWaalsContact O-CB 3.31Å; E1616-L1620 WeakPolarHBondContact O-CB 3.36Å; E1616-L1620 VanDerWaalsContact O-CG 3.27Å; E1616-L1620 WeakPolarHBondContact O-CG 3.42Å; E1616-L1620 PolarHBondContact O-N 3.32Å; E1616-R1722 IonicContact OE1-CZ 3.35Å; E1616-R1722 IonicContact OE1-NH1 3.84Å; E1616-R1722 PolarHBondContact OE1-NH1 2.92Å; E1616-R1722 IonicContact OE1-NH2 3.13Å; E1616-R1722 PolarHBondContact OE1-NH2 3.47Å; E1616-R1722 IonicContact OE2-CZ 2.73Å; E1616-R1722 IonicContact OE2-NH1 3.55Å; E1616-R1722 PolarHBondContact OE2-NH1 2.72Å; E1616-R1722 IonicContact OE2-NH2 2.8Å; E1616-R1722 PolarHBondContact OE2-NH2 2.83Å |
| 1617 | N | 65.4 | Low | 65.8 | Low | 39 Ų | 39 | 82.7 Ų | 82.7 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 172.4 | -75.8 | -11.8 | 0 | 0 | 0 | 111.1 | L1613 R1619 L1620 L1621 | L1613-N1617 WeakPolarHBondContact O-CB 3.4Å; L1613-N1617 PolarHBondContact O-N 3.49Å; L1613-N1617 PolarHBondContact O-ND2 3.06Å; N1617-R1619 VanDerWaalsContact C-N 3.3Å; N1617-R1619 PolarHBondContact O-N 3.38Å; N1617-L1620 PolarHBondContact O-N 3.43Å; N1617-L1621 WeakPolarHBondContact O-CB 3.18Å; N1617-L1621 WeakPolarHBondContact O-CG 3.26Å; N1617-L1621 PolarHBondContact O-N 3.16Å |
| 1618 | K | 69.6 | Low | 65.6 | Low | 136 Ų | 136 | 85 Ų | 85 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.9 | -39 | 172.9 | -78.7 | 171.4 | 177.5 | 166.3 | 0 | 112.1 | E1614 H1615 A1622 | E1614-K1618 WeakPolarHBondContact O-CB 3.36Å; E1614-K1618 WeakPolarHBondContact O-CG 3.37Å; E1614-K1618 PolarHBondContact O-N 2.84Å; H1615-K1618 PolarHBondContact O-N 2.78Å; K1618-A1622 VanDerWaalsContact O-CB 3.28Å; K1618-A1622 WeakPolarHBondContact O-CB 3.49Å; K1618-A1622 PolarHBondContact O-N 2.86Å |
| 1619 | R | 71.8 | Confident | 65.5 | Low | 138 Ų | 138 | 87.2 Ų | 87.2 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 174.8 | -173.9 | -173.2 | 67.7 | 179 | -1.1 | 112 | H1615 E1616 N1617 A1622 E1623 | H1615-R1619 VanDerWaalsContact O-CB 3.32Å; H1615-R1619 WeakPolarHBondContact O-CB 3.37Å; H1615-R1619 PolarHBondContact O-N 3.03Å; E1616-R1619 PolarHBondContact O-N 3.35Å; E1616-R1619 IonicContact OE1-NH2 3.92Å; E1616-R1619 PolarHBondContact OE1-NH2 3.02Å; N1617-R1619 VanDerWaalsContact C-N 3.3Å; N1617-R1619 PolarHBondContact O-N 3.38Å; R1619-A1622 CarbonylContact O-C 3.49Å; R1619-A1622 PolarHBondContact O-N 3.29Å; R1619-E1623 PolarHBondContact O-N 3.2Å |
| 1620 | L | 61.4 | Low | 65.2 | Low | 23 Ų | 23 | 89.3 Ų | 89.3 | 12% | 0.12 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 179.7 | -77 | 169.8 | 0 | 0 | 0 | 112.1 | E1616 N1617 E1623 Y1624 L1719 R1722 | E1616-L1620 VanDerWaalsContact O-CB 3.31Å; E1616-L1620 WeakPolarHBondContact O-CB 3.36Å; E1616-L1620 VanDerWaalsContact O-CG 3.27Å; E1616-L1620 WeakPolarHBondContact O-CG 3.42Å; E1616-L1620 PolarHBondContact O-N 3.32Å; N1617-L1620 PolarHBondContact O-N 3.43Å; L1620-E1623 PolarHBondContact O-N 3.02Å; L1620-Y1624 VanDerWaalsContact O-CB 3.23Å; L1620-Y1624 WeakPolarHBondContact O-CB 3.23Å; L1620-Y1624 PolarHBondContact O-N 2.91Å; L1620-L1719 HydrophobicContact CB-CD2 4.39Å; L1620-L1719 HydrophobicContact CD1-CD2 4.3Å; L1620-R1722 VanDerWaalsContact CD1-NH1 3.27Å |
| 1621 | L | 65.7 | Low | 64.6 | Low | 87 Ų | 87 | 87.6 Ų | 87.6 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 168.7 | -73.8 | 165.1 | 0 | 0 | 0 | 110.6 | N1617 E1623 Y1624 E1625 | N1617-L1621 WeakPolarHBondContact O-CB 3.18Å; N1617-L1621 WeakPolarHBondContact O-CG 3.26Å; N1617-L1621 PolarHBondContact O-N 3.16Å; L1621-E1623 VanDerWaalsContact C-N 3.32Å; L1621-E1623 PolarHBondContact O-N 3.25Å; L1621-Y1624 PolarHBondContact O-N 2.77Å; L1621-E1625 PolarHBondContact O-N 3.44Å |
| 1622 | A | 71.4 | Confident | 63.4 | Low | 51 Ų | 51 | 87.1 Ų | 87.1 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.6 | -25.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1618 R1619 K1626 | K1618-A1622 VanDerWaalsContact O-CB 3.28Å; K1618-A1622 WeakPolarHBondContact O-CB 3.49Å; K1618-A1622 PolarHBondContact O-N 2.86Å; R1619-A1622 CarbonylContact O-C 3.49Å; R1619-A1622 PolarHBondContact O-N 3.29Å; A1622-K1626 WeakPolarHBondContact O-CB 3.4Å; A1622-K1626 WeakPolarHBondContact O-CD 3.24Å; A1622-K1626 VanDerWaalsContact O-CG 3.24Å; A1622-K1626 WeakPolarHBondContact O-CG 3.37Å; A1622-K1626 PolarHBondContact O-N 3.22Å |
| 1623 | E | 68 | Low | 61.8 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76.4 | -43 | 168.3 | -79 | -167.3 | 168.5 | 0 | 0 | 111.9 | R1619 L1620 L1621 K1626 L1627 Q1715 | R1619-E1623 PolarHBondContact O-N 3.2Å; L1620-E1623 PolarHBondContact O-N 3.02Å; L1621-E1623 VanDerWaalsContact C-N 3.32Å; L1621-E1623 PolarHBondContact O-N 3.25Å; E1623-K1626 CarbonylContact O-C 3.6Å; E1623-K1626 PolarHBondContact O-N 3.03Å; E1623-L1627 WeakPolarHBondContact O-CG 3.24Å; E1623-L1627 PolarHBondContact O-N 2.81Å; E1623-Q1715 PolarHBondContact OE2-NE2 2.97Å |
| 1624 | Y | 64.9 | Low | 60.6 | Low | 66 Ų | 66 | 91.1 Ų | 91.1 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.2 | -51.5 | 176.6 | 178.1 | -96.6 | 0 | 0 | 0 | 110.7 | L1620 L1621 K1626 L1627 R1628 L1712 | L1620-Y1624 VanDerWaalsContact O-CB 3.23Å; L1620-Y1624 WeakPolarHBondContact O-CB 3.23Å; L1620-Y1624 PolarHBondContact O-N 2.91Å; L1621-Y1624 PolarHBondContact O-N 2.77Å; Y1624-K1626 VanDerWaalsContact C-N 3.32Å; Y1624-K1626 PolarHBondContact O-N 3.15Å; Y1624-L1627 PolarHBondContact O-N 3.18Å; Y1624-L1627 VanDerWaalsContact O-N 3.08Å; Y1624-R1628 WeakPolarHBondContact O-CB 3.38Å; Y1624-R1628 PolarHBondContact O-N 2.72Å; Y1624-L1712 HydrophobicContact CD2-CD2 3.96Å; Y1624-L1712 HydrophobicContact CE2-CD2 4Å |
| 1625 | E | 69.5 | Low | 59 | Low | 75 Ų | 75 | 95 Ų | 95 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.9 | -127.3 | 60.6 | -128.6 | 0 | 0 | 111.9 | L1621 L1627 R1628 V1629 | L1621-E1625 PolarHBondContact O-N 3.44Å; E1625-L1627 VanDerWaalsContact C-N 3.29Å; E1625-L1627 PolarHBondContact O-N 2.92Å; E1625-R1628 PolarHBondContact O-N 3.09Å; E1625-R1628 WeakPolarHBondContact OE1-CD 3.32Å; E1625-R1628 IonicContact OE1-CZ 3.66Å; E1625-R1628 IonicContact OE1-NE 2.75Å; E1625-R1628 IonicContact OE1-NH1 3.55Å; E1625-R1628 PolarHBondContact OE1-NH1 3.16Å; E1625-V1629 WeakPolarHBondContact O-CB 3.43Å; E1625-V1629 VanDerWaalsContact O-CG2 3.25Å; E1625-V1629 WeakPolarHBondContact O-CG2 3.39Å; E1625-V1629 PolarHBondContact O-N 3.33Å |
| 1626 | K | 67.9 | Low | 57.2 | Low | 150 Ų | 150 | 95.4 Ų | 95.4 | 65% | 0.652 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67 | -26 | 175.2 | -85.6 | 177.1 | 178.2 | 171.7 | 0 | 114 | A1622 E1623 Y1624 K1630 | A1622-K1626 WeakPolarHBondContact O-CB 3.4Å; A1622-K1626 WeakPolarHBondContact O-CD 3.24Å; A1622-K1626 VanDerWaalsContact O-CG 3.24Å; A1622-K1626 WeakPolarHBondContact O-CG 3.37Å; A1622-K1626 PolarHBondContact O-N 3.22Å; E1623-K1626 CarbonylContact O-C 3.6Å; E1623-K1626 PolarHBondContact O-N 3.03Å; Y1624-K1626 VanDerWaalsContact C-N 3.32Å; Y1624-K1626 PolarHBondContact O-N 3.15Å; K1626-K1630 WeakPolarHBondContact O-CD 3.28Å; K1626-K1630 VanDerWaalsContact O-CG 3.28Å; K1626-K1630 WeakPolarHBondContact O-CG 3.46Å |
| 1627 | L | 61.1 | Low | 55.4 | Low | 34 Ų | 34 | 100.3 Ų | 100.3 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -86.1 | -40 | 174.2 | -71.1 | 168.6 | 0 | 0 | 0 | 110.9 | E1623 Y1624 E1625 V1629 K1630 V1631 L1712 Q1715 | E1623-L1627 WeakPolarHBondContact O-CG 3.24Å; E1623-L1627 PolarHBondContact O-N 2.81Å; Y1624-L1627 PolarHBondContact O-N 3.18Å; Y1624-L1627 VanDerWaalsContact O-N 3.08Å; E1625-L1627 VanDerWaalsContact C-N 3.29Å; E1625-L1627 PolarHBondContact O-N 2.92Å; L1627-V1629 PolarHBondContact O-N 3.23Å; L1627-K1630 PolarHBondContact O-N 3.02Å; L1627-V1631 PolarHBondContact O-N 3.48Å; L1627-L1712 HydrophobicContact CB-CD1 4.49Å; L1627-L1712 HydrophobicContact CB-CD2 3.95Å; L1627-L1712 HydrophobicContact CB-CG 4.17Å; L1627-Q1715 VanDerWaalsContact CD1-OE1 3.26Å |
| 1628 | R | 60.6 | Low | 53.6 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 46% | 0.457 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 172.7 | -166.3 | -171.4 | -166.9 | -175.5 | 6.6 | 111.6 | Y1624 E1625 K1630 V1631 | Y1624-R1628 WeakPolarHBondContact O-CB 3.38Å; Y1624-R1628 PolarHBondContact O-N 2.72Å; E1625-R1628 PolarHBondContact O-N 3.09Å; E1625-R1628 WeakPolarHBondContact OE1-CD 3.32Å; E1625-R1628 IonicContact OE1-CZ 3.66Å; E1625-R1628 IonicContact OE1-NE 2.75Å; E1625-R1628 IonicContact OE1-NH1 3.55Å; E1625-R1628 PolarHBondContact OE1-NH1 3.16Å; R1628-K1630 PolarHBondContact O-N 2.88Å; R1628-V1631 PolarHBondContact O-N 2.96Å |
| 1629 | V | 59.5 | Low | 51.7 | Low | 122 Ų | 122 | 104.4 Ų | 104.4 | 74% | 0.739 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -15.6 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | E1625 L1627 | E1625-V1629 WeakPolarHBondContact O-CB 3.43Å; E1625-V1629 VanDerWaalsContact O-CG2 3.25Å; E1625-V1629 WeakPolarHBondContact O-CG2 3.39Å; E1625-V1629 PolarHBondContact O-N 3.33Å; L1627-V1629 PolarHBondContact O-N 3.23Å |
| 1630 | K | 55.3 | Low | 49.6 | Very low | 142 Ų | 142 | 103.8 Ų | 103.8 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -25.6 | 177.2 | -80.4 | -179.1 | 175.1 | -170.1 | 0 | 114.5 | K1626 L1627 R1628 P1632 | K1626-K1630 WeakPolarHBondContact O-CD 3.28Å; K1626-K1630 VanDerWaalsContact O-CG 3.28Å; K1626-K1630 WeakPolarHBondContact O-CG 3.46Å; L1627-K1630 PolarHBondContact O-N 3.02Å; R1628-K1630 PolarHBondContact O-N 2.88Å; K1630-P1632 VanDerWaalsContact O-CD 3.32Å; K1630-P1632 WeakPolarHBondContact O-CD 3.24Å |
| 1631 | V | 46.7 | Very low | 48 | Very low | 36 Ų | 36 | 105.8 Ų | 105.8 | 22% | 0.218 | 59% | 0.594 | C | S | . | * | S | Bend | trans | -80.2 | 116.5 | 172.9 | 176 | 0 | 0 | 0 | 0 | 108.6 | L1627 R1628 N1633 L1712 | L1627-V1631 PolarHBondContact O-N 3.48Å; R1628-V1631 PolarHBondContact O-N 2.96Å; V1631-N1633 PolarHBondContact O-N 3.35Å; V1631-L1712 HydrophobicContact CG2-CD1 3.68Å |
| 1632 | P | 40.6 | Very low | 46.3 | Very low | 103 Ų | 103 | 109.2 Ų | 109.2 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.4 | -179.9 | -16.6 | 32.2 | 0 | 0 | 0 | 110.6 | K1630 G1634 | K1630-P1632 VanDerWaalsContact O-CD 3.32Å; K1630-P1632 WeakPolarHBondContact O-CD 3.24Å; P1632-G1634 PolarHBondContact O-N 2.81Å; P1632-G1634 VanDerWaalsContact O-N 3.14Å |
| 1633 | N | 34.7 | Very low | 44.2 | Very low | 168 Ų | 168 | 114.3 Ų | 114.3 | 90% | 0.898 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -58 | 117.5 | 172.4 | -83.2 | -7.5 | 0 | 0 | 0 | 109.9 | V1631 | V1631-N1633 PolarHBondContact O-N 3.35Š|
| 1634 | G | 34.6 | Very low | 42.2 | Very low | 67 Ų | 67 | 116.7 Ų | 116.7 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | trans | -156.4 | 24.1 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | P1632 | P1632-G1634 PolarHBondContact O-N 2.81Å; P1632-G1634 VanDerWaalsContact O-N 3.14Å | ||
| 1635 | M | 32.4 | Very low | 40.3 | Very low | 180 Ų | 180 | 119 Ų | 119 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -150.2 | 137 | 161.5 | -107.2 | 164.2 | -163 | 0 | 0 | 111.1 | ||
| 1636 | D | 31.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | trans | 66.2 | 128.7 | 174 | -57.9 | -24.1 | 0 | 0 | 0 | 119.6 | ||||
| 1637 | K | 30.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 118 Ų | 118 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | cis | -163.9 | 153.2 | -44.6 | -119.1 | -167.7 | -142.8 | 85.4 | 0 | 111.6 | ||||
| 1638 | E | 27.7 | Very low | 34.7 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | 68.7 | 125.7 | 156.9 | -67.5 | 170.8 | -144.9 | 0 | 0 | 119.6 | ||||
| 1639 | G | 28.9 | Very low | 33.2 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 151 | 53.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1640 | S | 29 | Very low | 31.7 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -39.5 | 149.7 | 178.2 | 53.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1641 | G | 27.9 | Very low | 30.7 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 135 | 169.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1642 | L | 30.3 | Very low | 29.8 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 70.9 | 104.5 | 178.6 | -55.3 | 163.9 | 0 | 0 | 0 | 115.1 | ||||
| 1643 | Q | 26.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 83.1 | 115.2 | 60.2 | -72.6 | -173.1 | -4.7 | 0 | 0 | 116.3 | |||||
| 1644 | N | 25.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 47.6 | 124.7 | 133.1 | -49.4 | -14 | 0 | 0 | 0 | 120.2 | ||||
| 1645 | S | 25.2 | Very low | 28.6 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 163.5 | 119.8 | 101 | -70.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1646 | A | 25.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 52.3 | 147.3 | 130.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1647 | S | 26.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 91.3 | 109.1 | 149 | -44 | 0 | 0 | 0 | 0 | 120 | ||||
| 1648 | T | 28.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -35.6 | 154.7 | 138.9 | 10.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1649 | P | 30.7 | Very low | 28.5 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -149.7 | -160.3 | 38.4 | 38.4 | -14.3 | 0 | 0 | 0 | 116.6 | ||||
| 1650 | M | 26.1 | Very low | 28.9 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | trans | 93.4 | 104.8 | 156.8 | -59.9 | -118.3 | 61.5 | 0 | 0 | 119.7 | ||||
| 1651 | L | 34.3 | Very low | 29.1 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -64.7 | 148 | 147.9 | -67.4 | 165.8 | 0 | 0 | 0 | 110.8 | ||||
| 1652 | P | 29.1 | Very low | 29.4 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 134.7 | 143.4 | 34.5 | -24.5 | 0 | 0 | 0 | 113.2 | ||||
| 1653 | M | 27.3 | Very low | 29.6 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 162 | 173.5 | -48.6 | 168.4 | 70 | 0 | 0 | 112 | ||||
| 1654 | T | 28.7 | Very low | 29.9 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | -168.8 | 111.3 | 118.8 | 15.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1655 | N | 28 | Very low | 30 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | 39.4 | 121.4 | 126.2 | -54 | -14.6 | 0 | 0 | 0 | 121.1 | |||||
| 1656 | G | 28.3 | Very low | 30.2 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -138 | -18.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1657 | S | 29.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 22.1 | 127.5 | 163 | -163 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1658 | L | 30.5 | Very low | 30.3 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | 172.5 | 126.9 | 109.3 | -92.3 | 168.8 | 0 | 0 | 0 | 115.2 | |||||
| 1659 | G | 31.9 | Very low | 30.2 | Very low | 61 Ų | 61 | 142.6 Ų | 142.6 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | 128.9 | 96.8 | 113.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1660 | R | 37.1 | Very low | 30 | Very low | 246 Ų | 246 | 144.9 Ų | 144.9 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | 84 | 149.1 | 148.2 | -50.6 | 176.3 | -169.7 | -106.3 | 2.7 | 119.1 | ||||
| 1661 | R | 33 | Very low | 30.1 | Very low | 251 Ų | 251 | 142.4 Ų | 142.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | cis | -178 | 132.2 | -41.7 | -119.2 | -172.8 | -173.4 | -163.3 | 3.7 | 108.9 | ||||
| 1662 | G | 33.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -177.5 | 61.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1663 | Q | 36 | Very low | 29.6 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 36.3 | 116.9 | 150.4 | -54.9 | -169.4 | -89.8 | 0 | 0 | 120.2 | ||||
| 1664 | H | 31.9 | Very low | 29.5 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | cis | -140.3 | -79.6 | -4.5 | -89.2 | -69.4 | 0 | 0 | 0 | 113.9 | ||||
| 1665 | R | 28.2 | Very low | 29.3 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | cis | -146.3 | 9.8 | -9.9 | -151.2 | -130.7 | 72.9 | 176.8 | 0.5 | 115.1 | ||||
| 1666 | S | 28.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -153.2 | 153 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1667 | T | 29.4 | Very low | 29.3 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 107.1 | -173.8 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1668 | C | 25.3 | Very low | 29.4 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 136.8 | 160.7 | -69.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1669 | S | 27 | Very low | 29.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -165.7 | 128.6 | 177.7 | -78.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1670 | L | 26.6 | Very low | 28.8 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 149.1 | 164.8 | -51.4 | 166.2 | 0 | 0 | 0 | 114.2 | ||||
| 1671 | T | 27.9 | Very low | 28.5 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | cis | -155.6 | 134.8 | -1.9 | 9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1672 | R | 25.6 | Very low | 28.2 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | 65.4 | 132 | 88.5 | -160.5 | -152.4 | 169.4 | 143.7 | 4 | 115.1 | |||||
| 1673 | N | 26 | Very low | 28.1 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | 102.4 | 118 | 160.3 | -68.7 | -14.1 | 0 | 0 | 0 | 119.9 | ||||
| 1674 | H | 26.3 | Very low | 27.8 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | 71 | 115.3 | 128.6 | -70.1 | -53.5 | 0 | 0 | 0 | 124.1 | |||||
| 1675 | N | 25.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | 74.5 | 136.9 | 119.7 | -62.5 | 15.5 | 0 | 0 | 0 | 122.4 | |||||
| 1676 | H | 25.3 | Very low | 28 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | trans | 84.4 | 120.5 | 146.6 | -64.6 | -17.5 | 0 | 0 | 0 | 120.9 | ||||
| 1677 | F | 30.8 | Very low | 28.1 | Very low | 198 Ų | 198 | 138 Ų | 138 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | -38.3 | 155.8 | 149.4 | -82.7 | -92.8 | 0 | 0 | 0 | 114.4 | ||||
| 1678 | P | 30.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | -141.7 | 124.2 | 99.1 | 35.1 | -20.5 | 0 | 0 | 0 | 116.5 | |||||
| 1679 | S | 25 | Very low | 28.5 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | 24.1 | 137.8 | 123.3 | -167.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1680 | T | 25.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | 145.3 | 151.9 | 106.8 | -36.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 1681 | Y | 30.1 | Very low | 29.1 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 79.5 | 99.2 | 169.6 | -60.6 | -74.5 | 0 | 0 | 0 | 116.5 | ||||
| 1682 | Q | 27.9 | Very low | 29.2 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | 90.1 | 139.8 | 75.7 | -84.1 | -175.2 | 2 | 0 | 0 | 112 | |||||
| 1683 | Q | 31.4 | Very low | 29.4 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 64% | 0.64 | 71% | 0.71 | S | S | * | * | cis | -159.8 | 145.3 | 22.1 | -131.6 | 167.6 | 6.2 | 0 | 0 | 112.8 | ||||
| 1684 | Q | 29.6 | Very low | 29.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 64.5 | 149.1 | 147.4 | -71.7 | 163.1 | -12.6 | 0 | 0 | 120.5 | ||||
| 1685 | T | 32.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | cis | -149.8 | 128.8 | 2.6 | -2.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1686 | G | 30.9 | Very low | 30 | Very low | 58 Ų | 58 | 140.4 Ų | 140.4 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | trans | 52.6 | 164.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 1687 | E | 31.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | -178.3 | 138.3 | -19.1 | -110.5 | 126.2 | -116.5 | 0 | 0 | 107.9 | ||||
| 1688 | E | 31.5 | Very low | 30 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | cis | -146.2 | -97.5 | -11 | -158.2 | -132.8 | 106.8 | 0 | 0 | 111.9 | ||||
| 1689 | N | 31.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 65% | 0.652 | 73% | 0.732 | S | S | * | * | trans | -148.1 | 173.2 | -173 | -72.3 | -72.2 | 0 | 0 | 0 | 113.5 | ||||
| 1690 | T | 34.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -175.6 | 121.5 | 138.9 | 18.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1691 | L | 30.4 | Very low | 31.5 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | 70.4 | 140.3 | 61.9 | -65.5 | 169.4 | 0 | 0 | 0 | 113.4 | |||||
| 1692 | D | 29.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | cis | -174.3 | -169.3 | -15.8 | -160.9 | -16.1 | 0 | 0 | 0 | 107.4 | ||||
| 1693 | T | 30.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | 76.4 | 99.9 | 159.3 | -42.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1694 | Q | 29.3 | Very low | 35 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | 84.5 | 124.5 | 67 | -70 | 173.1 | 30.1 | 0 | 0 | 117.1 | |||||
| 1695 | Y | 28.8 | Very low | 36.4 | Very low | 226 Ų | 226 | 127.7 Ų | 127.7 | 89% | 0.886 | 71% | 0.708 | S | S | * | * | trans | 26.7 | 110 | 144.5 | -75 | -91.9 | 0 | 0 | 0 | 122 | ||||
| 1696 | A | 30.8 | Very low | 38.1 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 69% | 0.694 | S | S | * | * | trans | -145.8 | 132.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1697 | A | 27.8 | Very low | 40 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | cis | 79.4 | 60.7 | 34.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1698 | A | 29.9 | Very low | 41.4 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 69% | 0.686 | 66% | 0.661 | S | S | * | * | trans | -167.1 | 136.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1700 | A1698-V1700 PolarHBondContact O-N 2.61Š| ||
| 1699 | T | 32.5 | Very low | 43.2 | Very low | 145 Ų | 145 | 115 Ų | 115 | 89% | 0.89 | 64% | 0.641 | S | S | * | * | trans | -7.2 | 113.5 | 155.8 | 53.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1700 | V | 36 | Very low | 45.1 | Very low | 113 Ų | 113 | 112.5 Ų | 112.5 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | trans | -106 | 135.6 | 168.3 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | A1698 E1704 | A1698-V1700 PolarHBondContact O-N 2.61Å; V1700-E1704 HydrophobicContact CG1-CB 4.17Å; V1700-E1704 WeakPolarHBondContact CG1-OE2 3.15Å | ||
| 1701 | D | 43.7 | Very low | 46.9 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 53% | 0.529 | 62% | 0.618 | S | S | . | * | trans | -62.2 | 139.9 | -164.6 | -169.3 | -6.9 | 0 | 0 | 0 | 114 | R1703 E1704 | D1701-R1703 HydrophobicContact CB-CB 4.17Å; D1701-R1703 PolarHBondContact O-N 2.62Å; D1701-R1703 WeakPolarHBondContact OD1-CB 3.31Å; D1701-R1703 PolarHBondContact OD1-N 2.89Å; D1701-R1703 VanDerWaalsContact OD1-N 3.11Å; D1701-R1703 VanDerWaalsContact OD2-CB 3.27Å; D1701-R1703 WeakPolarHBondContact OD2-CB 3.42Å; D1701-E1704 PolarHBondContact O-N 3.32Å | ||
| 1702 | D | 44.5 | Very low | 48.7 | Very low | 136 Ų | 136 | 106.2 Ų | 106.2 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.2 | -30.5 | 169.7 | -74.9 | -42.7 | 0 | 0 | 0 | 111.4 | E1704 L1705 A1706 | D1702-E1704 VanDerWaalsContact C-N 3.32Å; D1702-E1704 PolarHBondContact O-N 2.88Å; D1702-L1705 PolarHBondContact O-N 3.34Å; D1702-A1706 VanDerWaalsContact O-CB 3.22Å; D1702-A1706 WeakPolarHBondContact O-CB 3.27Å; D1702-A1706 PolarHBondContact O-N 3.42Å |
| 1703 | R | 63.1 | Low | 50.7 | Low | 178 Ų | 178 | 108.8 Ų | 108.8 | 67% | 0.672 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.6 | -33.4 | 175.4 | -172.2 | -177.4 | 175.1 | 125.5 | 3.3 | 114 | D1701 N1707 | D1701-R1703 HydrophobicContact CB-CB 4.17Å; D1701-R1703 PolarHBondContact O-N 2.62Å; D1701-R1703 WeakPolarHBondContact OD1-CB 3.31Å; D1701-R1703 PolarHBondContact OD1-N 2.89Å; D1701-R1703 VanDerWaalsContact OD1-N 3.11Å; D1701-R1703 VanDerWaalsContact OD2-CB 3.27Å; D1701-R1703 WeakPolarHBondContact OD2-CB 3.42Å; R1703-N1707 VanDerWaalsContact O-CG 3.25Å; R1703-N1707 PolarHBondContact O-N 2.79Å; R1703-N1707 PolarHBondContact O-ND2 3.11Å |
| 1704 | E | 54.8 | Low | 52.7 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -81 | -40.9 | -179.5 | -162.4 | 149.9 | -114.3 | 0 | 0 | 110.6 | V1700 D1701 D1702 A1706 N1707 E1708 | V1700-E1704 HydrophobicContact CG1-CB 4.17Å; V1700-E1704 WeakPolarHBondContact CG1-OE2 3.15Å; D1701-E1704 PolarHBondContact O-N 3.32Å; D1702-E1704 VanDerWaalsContact C-N 3.32Å; D1702-E1704 PolarHBondContact O-N 2.88Å; E1704-A1706 VanDerWaalsContact C-N 3.34Å; E1704-A1706 PolarHBondContact O-N 3.27Å; E1704-N1707 WeakPolarHBondContact O-CB 3.43Å; E1704-N1707 PolarHBondContact O-N 3.24Å; E1704-N1707 VanDerWaalsContact O-N 3.15Å; E1704-E1708 PolarHBondContact O-N 3.4Å; E1704-E1708 VanDerWaalsContact O-N 3.1Å |
| 1705 | L | 58.9 | Low | 54.5 | Low | 84 Ų | 84 | 102.7 Ų | 102.7 | 44% | 0.44 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.2 | -48.2 | 167.8 | -173.4 | 68.7 | 0 | 0 | 0 | 111 | D1702 N1707 E1708 T1709 | D1702-L1705 PolarHBondContact O-N 3.34Å; L1705-N1707 VanDerWaalsContact C-N 3.29Å; L1705-N1707 PolarHBondContact O-N 2.81Å; L1705-E1708 WeakPolarHBondContact O-CA 3.33Å; L1705-E1708 PolarHBondContact O-N 2.94Å; L1705-T1709 PolarHBondContact O-N 3.49Å; L1705-T1709 PolarHBondContact O-OG1 3.07Å |
| 1706 | A | 68.3 | Low | 56.5 | Low | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -30.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1702 E1704 S1710 | D1702-A1706 VanDerWaalsContact O-CB 3.22Å; D1702-A1706 WeakPolarHBondContact O-CB 3.27Å; D1702-A1706 PolarHBondContact O-N 3.42Å; E1704-A1706 VanDerWaalsContact C-N 3.34Å; E1704-A1706 PolarHBondContact O-N 3.27Å; A1706-S1710 WeakPolarHBondContact O-CB 3.4Å; A1706-S1710 PolarHBondContact O-N 3.5Å |
| 1707 | N | 72.2 | Confident | 58.5 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 170.8 | -81.2 | -32.6 | 0 | 0 | 0 | 111.6 | R1703 E1704 L1705 K1711 | R1703-N1707 VanDerWaalsContact O-CG 3.25Å; R1703-N1707 PolarHBondContact O-N 2.79Å; R1703-N1707 PolarHBondContact O-ND2 3.11Å; E1704-N1707 WeakPolarHBondContact O-CB 3.43Å; E1704-N1707 PolarHBondContact O-N 3.24Å; E1704-N1707 VanDerWaalsContact O-N 3.15Å; L1705-N1707 VanDerWaalsContact C-N 3.29Å; L1705-N1707 PolarHBondContact O-N 2.81Å; N1707-K1711 VanDerWaalsContact O-CG 3.3Å; N1707-K1711 WeakPolarHBondContact O-CG 3.34Å; N1707-K1711 PolarHBondContact O-N 3.46Å |
| 1708 | E | 61.6 | Low | 60.5 | Low | 56 Ų | 56 | 100.4 Ų | 100.4 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.6 | -39.7 | 174.5 | -60.6 | -155.2 | 132 | 0 | 0 | 112.1 | E1704 L1705 S1710 K1711 L1712 | E1704-E1708 PolarHBondContact O-N 3.4Å; E1704-E1708 VanDerWaalsContact O-N 3.1Å; L1705-E1708 WeakPolarHBondContact O-CA 3.33Å; L1705-E1708 PolarHBondContact O-N 2.94Å; E1708-S1710 VanDerWaalsContact C-N 3.28Å; E1708-S1710 PolarHBondContact O-N 3.26Å; E1708-K1711 PolarHBondContact O-N 3.29Å; E1708-L1712 PolarHBondContact O-N 3.45Å |
| 1709 | T | 68.1 | Low | 62.3 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 171.3 | -25.7 | 0 | 0 | 0 | 0 | 112 | L1705 L1712 R1713 | L1705-T1709 PolarHBondContact O-N 3.49Å; L1705-T1709 PolarHBondContact O-OG1 3.07Å; T1709-L1712 PolarHBondContact O-N 3.27Å; T1709-R1713 PolarHBondContact O-N 3.22Å |
| 1710 | S | 71.2 | Confident | 64.2 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112 | A1706 E1708 R1713 Q1714 | A1706-S1710 WeakPolarHBondContact O-CB 3.4Å; A1706-S1710 PolarHBondContact O-N 3.5Å; E1708-S1710 VanDerWaalsContact C-N 3.28Å; E1708-S1710 PolarHBondContact O-N 3.26Å; S1710-R1713 PolarHBondContact O-N 2.87Å; S1710-Q1714 WeakPolarHBondContact O-CB 3.42Å; S1710-Q1714 PolarHBondContact O-N 3.32Å |
| 1711 | K | 72.8 | Confident | 66 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 171.8 | -72.5 | 167.2 | -171.3 | 168.4 | 0 | 111.9 | N1707 E1708 Q1714 Q1715 | N1707-K1711 VanDerWaalsContact O-CG 3.3Å; N1707-K1711 WeakPolarHBondContact O-CG 3.34Å; N1707-K1711 PolarHBondContact O-N 3.46Å; E1708-K1711 PolarHBondContact O-N 3.29Å; K1711-Q1714 PolarHBondContact O-N 3.05Å; K1711-Q1715 PolarHBondContact O-N 2.99Å |
| 1712 | L | 68.5 | Low | 66.8 | Low | 28 Ų | 28 | 96.6 Ų | 96.6 | 15% | 0.147 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.8 | -89 | 161.2 | 0 | 0 | 0 | 111.5 | Y1624 L1627 V1631 E1708 T1709 Q1714 Q1715 Q1716 | Y1624-L1712 HydrophobicContact CD2-CD2 3.96Å; Y1624-L1712 HydrophobicContact CE2-CD2 4Å; L1627-L1712 HydrophobicContact CB-CD1 4.49Å; L1627-L1712 HydrophobicContact CB-CD2 3.95Å; L1627-L1712 HydrophobicContact CB-CG 4.17Å; V1631-L1712 HydrophobicContact CG2-CD1 3.68Å; E1708-L1712 PolarHBondContact O-N 3.45Å; T1709-L1712 PolarHBondContact O-N 3.27Å; L1712-Q1714 VanDerWaalsContact C-N 3.28Å; L1712-Q1714 PolarHBondContact O-N 3.43Å; L1712-Q1715 PolarHBondContact O-N 3.5Å; L1712-Q1715 VanDerWaalsContact O-N 3.13Å; L1712-Q1716 PolarHBondContact O-N 3.24Å |
| 1713 | R | 70.2 | Confident | 67.8 | Low | 175 Ų | 175 | 92.5 Ų | 92.5 | 66% | 0.66 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.8 | -37.4 | 175 | -73.4 | -177.5 | 179.4 | 173.9 | 1.2 | 112.9 | T1709 S1710 Q1716 Q1717 | T1709-R1713 PolarHBondContact O-N 3.22Å; S1710-R1713 PolarHBondContact O-N 2.87Å; R1713-Q1716 PolarHBondContact O-N 2.92Å; R1713-Q1717 PolarHBondContact O-N 2.67Å |
| 1714 | Q | 73.6 | Confident | 68.2 | Low | 111 Ų | 111 | 92.3 Ų | 92.3 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.8 | -26 | 178.6 | -171 | 171.1 | 87.7 | 0 | 0 | 113.1 | S1710 K1711 L1712 R1718 | S1710-Q1714 WeakPolarHBondContact O-CB 3.42Å; S1710-Q1714 PolarHBondContact O-N 3.32Å; K1711-Q1714 PolarHBondContact O-N 3.05Å; L1712-Q1714 VanDerWaalsContact C-N 3.28Å; L1712-Q1714 PolarHBondContact O-N 3.43Å; Q1714-R1718 WeakPolarHBondContact O-CD 3.47Å; Q1714-R1718 VanDerWaalsContact O-CG 3.29Å; Q1714-R1718 WeakPolarHBondContact O-CG 3.35Å |
| 1715 | Q | 68.4 | Low | 68.9 | Low | 33 Ų | 33 | 90.8 Ų | 90.8 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76.7 | -40 | 167.6 | -77.8 | -170.7 | -34.9 | 0 | 0 | 111.6 | E1623 L1627 K1711 L1712 Q1717 R1718 L1719 | E1623-Q1715 PolarHBondContact OE2-NE2 2.97Å; L1627-Q1715 VanDerWaalsContact CD1-OE1 3.26Å; K1711-Q1715 PolarHBondContact O-N 2.99Å; L1712-Q1715 PolarHBondContact O-N 3.5Å; L1712-Q1715 VanDerWaalsContact O-N 3.13Å; Q1715-Q1717 PolarHBondContact O-N 2.8Å; Q1715-R1718 WeakPolarHBondContact O-CB 3.35Å; Q1715-R1718 PolarHBondContact O-N 3.15Å; Q1715-L1719 PolarHBondContact O-N 3.42Å |
| 1716 | Q | 70.3 | Confident | 68.9 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.8 | -51.2 | 174.4 | -174 | 177.4 | 9 | 0 | 0 | 111.8 | L1712 R1713 R1718 L1719 E1720 | L1712-Q1716 PolarHBondContact O-N 3.24Å; R1713-Q1716 PolarHBondContact O-N 2.92Å; Q1716-R1718 PolarHBondContact O-N 2.68Å; Q1716-L1719 WeakPolarHBondContact O-CB 3.45Å; Q1716-L1719 PolarHBondContact O-N 2.97Å; Q1716-E1720 PolarHBondContact O-N 3.45Å |
| 1717 | Q | 73 | Confident | 68.9 | Low | 128 Ų | 128 | 91.6 Ų | 91.6 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.5 | -29.1 | 175.6 | -75 | -166.3 | -49.7 | 0 | 0 | 113.7 | R1713 Q1715 Q1721 | R1713-Q1717 PolarHBondContact O-N 2.67Å; Q1715-Q1717 PolarHBondContact O-N 2.8Å; Q1717-Q1721 VanDerWaalsContact O-CB 3.26Å; Q1717-Q1721 WeakPolarHBondContact O-CB 3.34Å; Q1717-Q1721 PolarHBondContact O-N 3.4Å |
| 1718 | R | 69.9 | Low | 68.9 | Low | 148 Ų | 148 | 93.6 Ų | 93.6 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -75.4 | -31.7 | 176 | -73.2 | 172.6 | -178.4 | -166.1 | 3.6 | 112.4 | Q1714 Q1715 Q1716 R1722 | Q1714-R1718 WeakPolarHBondContact O-CD 3.47Å; Q1714-R1718 VanDerWaalsContact O-CG 3.29Å; Q1714-R1718 WeakPolarHBondContact O-CG 3.35Å; Q1715-R1718 WeakPolarHBondContact O-CB 3.35Å; Q1715-R1718 PolarHBondContact O-N 3.15Å; Q1716-R1718 PolarHBondContact O-N 2.68Å; R1718-R1722 WeakPolarHBondContact O-CB 3.35Å; R1718-R1722 WeakPolarHBondContact O-CG 3.25Å; R1718-R1722 PolarHBondContact O-N 2.33Å; R1718-R1722 VanDerWaalsContact O-N 3.11Å |
| 1719 | L | 67.7 | Low | 69.2 | Low | 57 Ų | 57 | 96 Ų | 96 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.3 | -48.8 | 172.4 | -67.5 | 168.1 | 0 | 0 | 0 | 110.1 | L1620 Q1715 Q1716 Q1721 R1722 S1723 | L1620-L1719 HydrophobicContact CB-CD2 4.39Å; L1620-L1719 HydrophobicContact CD1-CD2 4.3Å; Q1715-L1719 PolarHBondContact O-N 3.42Å; Q1716-L1719 WeakPolarHBondContact O-CB 3.45Å; Q1716-L1719 PolarHBondContact O-N 2.97Å; L1719-Q1721 PolarHBondContact O-N 3.4Å; L1719-R1722 PolarHBondContact O-N 3.46Å; L1719-S1723 PolarHBondContact O-N 3.34Å |
| 1720 | E | 71.3 | Confident | 68.9 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55 | -48 | 173.9 | -70 | 171.9 | -161.8 | 0 | 0 | 112.4 | Q1716 R1722 S1723 R1724 | Q1716-E1720 PolarHBondContact O-N 3.45Å; E1720-R1722 VanDerWaalsContact C-N 3.32Å; E1720-R1722 PolarHBondContact O-N 3.38Å; E1720-S1723 WeakPolarHBondContact O-CB 3.5Å; E1720-S1723 PolarHBondContact O-N 3.08Å; E1720-R1724 PolarHBondContact O-N 3.33Å |
| 1721 | Q | 73.9 | Confident | 68.9 | Low | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.6 | -33.2 | -179.6 | -170.7 | 174.7 | 16.5 | 0 | 0 | 112.3 | Q1717 L1719 I1725 | Q1717-Q1721 VanDerWaalsContact O-CB 3.26Å; Q1717-Q1721 WeakPolarHBondContact O-CB 3.34Å; Q1717-Q1721 PolarHBondContact O-N 3.4Å; L1719-Q1721 PolarHBondContact O-N 3.4Å; Q1721-I1725 WeakPolarHBondContact O-CG1 3.4Å; Q1721-I1725 PolarHBondContact O-N 2.91Å |
| 1722 | R | 61 | Low | 68.7 | Low | 82 Ų | 82 | 97.5 Ų | 97.5 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71 | -37.1 | 173.9 | -82.3 | 179.5 | 158.8 | 176.6 | -8.3 | 112.5 | E1616 L1620 R1718 L1719 E1720 R1724 I1725 L1726 | E1616-R1722 IonicContact OE1-CZ 3.35Å; E1616-R1722 IonicContact OE1-NH1 3.84Å; E1616-R1722 PolarHBondContact OE1-NH1 2.92Å; E1616-R1722 IonicContact OE1-NH2 3.13Å; E1616-R1722 PolarHBondContact OE1-NH2 3.47Å; E1616-R1722 IonicContact OE2-CZ 2.73Å; E1616-R1722 IonicContact OE2-NH1 3.55Å; E1616-R1722 PolarHBondContact OE2-NH1 2.72Å; E1616-R1722 IonicContact OE2-NH2 2.8Å; E1616-R1722 PolarHBondContact OE2-NH2 2.83Å; L1620-R1722 VanDerWaalsContact CD1-NH1 3.27Å; R1718-R1722 WeakPolarHBondContact O-CB 3.35Å; R1718-R1722 WeakPolarHBondContact O-CG 3.25Å; R1718-R1722 PolarHBondContact O-N 2.33Å; R1718-R1722 VanDerWaalsContact O-N 3.11Å; L1719-R1722 PolarHBondContact O-N 3.46Å; E1720-R1722 VanDerWaalsContact C-N 3.32Å; E1720-R1722 PolarHBondContact O-N 3.38Å; R1722-R1724 VanDerWaalsContact C-N 3.34Å; R1722-R1724 PolarHBondContact O-N 2.99Å; R1722-I1725 PolarHBondContact O-N 2.92Å; R1722-L1726 WeakPolarHBondContact O-CG 3.38Å; R1722-L1726 PolarHBondContact O-N 3.31Å; R1722-L1726 VanDerWaalsContact O-N 3.11Å |
| 1723 | S | 65 | Low | 68.3 | Low | 50 Ų | 50 | 99.8 Ų | 99.8 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.5 | -49.2 | 174.6 | -165.1 | 0 | 0 | 0 | 0 | 111.3 | L1719 E1720 I1725 L1726 E1727 | L1719-S1723 PolarHBondContact O-N 3.34Å; E1720-S1723 WeakPolarHBondContact O-CB 3.5Å; E1720-S1723 PolarHBondContact O-N 3.08Å; S1723-I1725 PolarHBondContact O-N 3.27Å; S1723-L1726 WeakPolarHBondContact O-CB 3.45Å; S1723-L1726 PolarHBondContact O-N 2.96Å; S1723-L1726 VanDerWaalsContact O-N 3.11Å; S1723-E1727 PolarHBondContact O-N 3.3Å |
| 1724 | R | 72.4 | Confident | 68 | Low | 173 Ų | 173 | 96 Ų | 96 | 65% | 0.653 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | -179.3 | -64.5 | -176.3 | -170.1 | -173.6 | 3.8 | 113.6 | E1720 R1722 L1726 E1727 E1728 | E1720-R1724 PolarHBondContact O-N 3.33Å; R1722-R1724 VanDerWaalsContact C-N 3.34Å; R1722-R1724 PolarHBondContact O-N 2.99Å; R1724-L1726 VanDerWaalsContact C-N 3.28Å; R1724-L1726 PolarHBondContact O-N 3.31Å; R1724-E1727 WeakPolarHBondContact CA-OE2 3.45Å; R1724-E1727 PolarHBondContact O-N 3.07Å; R1724-E1728 WeakPolarHBondContact O-CB 3.46Å; R1724-E1728 PolarHBondContact O-N 3.01Å |
| 1725 | I | 68.5 | Low | 67.9 | Low | 87 Ų | 87 | 94.9 Ų | 94.9 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 177.5 | -65.6 | 166.8 | 0 | 0 | 0 | 110.6 | Q1721 R1722 S1723 H1729 | Q1721-I1725 WeakPolarHBondContact O-CG1 3.4Å; Q1721-I1725 PolarHBondContact O-N 2.91Å; R1722-I1725 PolarHBondContact O-N 2.92Å; S1723-I1725 PolarHBondContact O-N 3.27Å; I1725-H1729 PolarHBondContact O-N 2.82Å |
| 1726 | L | 60.1 | Low | 67.5 | Low | 56 Ų | 56 | 99 Ų | 99 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 175.8 | -70.8 | 168.3 | 0 | 0 | 0 | 112.1 | L1613 R1722 S1723 R1724 N1730 M1812 | L1613-L1726 HydrophobicContact CD1-CD2 4.29Å; R1722-L1726 WeakPolarHBondContact O-CG 3.38Å; R1722-L1726 PolarHBondContact O-N 3.31Å; R1722-L1726 VanDerWaalsContact O-N 3.11Å; S1723-L1726 WeakPolarHBondContact O-CB 3.45Å; S1723-L1726 PolarHBondContact O-N 2.96Å; S1723-L1726 VanDerWaalsContact O-N 3.11Å; R1724-L1726 VanDerWaalsContact C-N 3.28Å; R1724-L1726 PolarHBondContact O-N 3.31Å; L1726-N1730 WeakPolarHBondContact O-CB 3.48Å; L1726-N1730 PolarHBondContact O-N 3.26Å; L1726-M1812 HydrophobicContact CB-CE 3.96Å |
| 1727 | E | 67.4 | Low | 66.8 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 171.6 | -68.2 | 174.8 | 104.7 | 0 | 0 | 111.8 | S1723 R1724 N1730 Q1731 | S1723-E1727 PolarHBondContact O-N 3.3Å; R1724-E1727 WeakPolarHBondContact CA-OE2 3.45Å; R1724-E1727 PolarHBondContact O-N 3.07Å; E1727-N1730 PolarHBondContact O-N 3.38Å; E1727-N1730 VanDerWaalsContact O-N 3.12Å; E1727-Q1731 WeakPolarHBondContact O-CG 3.32Å; E1727-Q1731 PolarHBondContact O-N 3.17Å |
| 1728 | E | 72.4 | Confident | 66.6 | Low | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | -177.3 | -165.9 | 167 | -128.5 | 0 | 0 | 112 | R1724 Q1732 | R1724-E1728 WeakPolarHBondContact O-CB 3.46Å; R1724-E1728 PolarHBondContact O-N 3.01Å; E1728-Q1732 WeakPolarHBondContact O-CG 3.35Å; E1728-Q1732 PolarHBondContact O-N 2.85Å |
| 1729 | H | 67 | Low | 66.4 | Low | 108 Ų | 108 | 99.6 Ų | 99.6 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 169.7 | -97 | -156.7 | 0 | 0 | 0 | 113.1 | I1725 Q1732 L1733 | I1725-H1729 PolarHBondContact O-N 2.82Å; H1729-Q1732 PolarHBondContact O-N 3.37Å; H1729-L1733 PolarHBondContact O-N 3.03Å |
| 1730 | N | 62.9 | Low | 66 | Low | 48 Ų | 48 | 101.1 Ų | 101.1 | 26% | 0.257 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | -178.7 | -152.9 | 26.7 | 0 | 0 | 0 | 111.3 | L1726 E1727 Q1732 L1733 E1734 M1812 | L1726-N1730 WeakPolarHBondContact O-CB 3.48Å; L1726-N1730 PolarHBondContact O-N 3.26Å; E1727-N1730 PolarHBondContact O-N 3.38Å; E1727-N1730 VanDerWaalsContact O-N 3.12Å; N1730-Q1732 VanDerWaalsContact C-N 3.31Å; N1730-Q1732 PolarHBondContact O-N 2.84Å; N1730-L1733 PolarHBondContact O-N 2.97Å; N1730-E1734 PolarHBondContact O-N 2.82Å; N1730-E1734 VanDerWaalsContact O-N 3.13Å; N1730-M1812 HydrophobicContact CB-CE 4.21Å |
| 1731 | Q | 70.4 | Confident | 65.2 | Low | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.5 | -38.6 | 173 | -68.7 | 179.9 | 21.8 | 0 | 0 | 112.4 | E1727 E1734 V1735 | E1727-Q1731 WeakPolarHBondContact O-CG 3.32Å; E1727-Q1731 PolarHBondContact O-N 3.17Å; Q1731-E1734 PolarHBondContact O-N 3.3Å; Q1731-V1735 WeakPolarHBondContact O-CG2 3.46Å; Q1731-V1735 PolarHBondContact O-N 2.8Å |
| 1732 | Q | 68.3 | Low | 64.9 | Low | 93 Ų | 93 | 101.8 Ų | 101.8 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.3 | -69.3 | -176.7 | 14.2 | 0 | 0 | 112.4 | E1728 H1729 N1730 V1735 Q1736 | E1728-Q1732 WeakPolarHBondContact O-CG 3.35Å; E1728-Q1732 PolarHBondContact O-N 2.85Å; H1729-Q1732 PolarHBondContact O-N 3.37Å; N1730-Q1732 VanDerWaalsContact C-N 3.31Å; N1730-Q1732 PolarHBondContact O-N 2.84Å; Q1732-V1735 PolarHBondContact O-N 3.43Å; Q1732-Q1736 WeakPolarHBondContact O-CG 3.31Å; Q1732-Q1736 PolarHBondContact O-N 2.74Å; Q1732-Q1736 VanDerWaalsContact O-N 3.1Å |
| 1733 | L | 61.5 | Low | 64.9 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 40% | 0.398 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.2 | -75.6 | 166 | 0 | 0 | 0 | 111.9 | H1729 N1730 V1735 Q1736 L1737 | H1729-L1733 PolarHBondContact O-N 3.03Å; N1730-L1733 PolarHBondContact O-N 2.97Å; L1733-V1735 VanDerWaalsContact C-N 3.32Å; L1733-V1735 PolarHBondContact O-N 3.24Å; L1733-Q1736 PolarHBondContact O-N 2.95Å; L1733-L1737 WeakPolarHBondContact O-CB 3.4Å; L1733-L1737 WeakPolarHBondContact O-CG 3.48Å; L1733-L1737 PolarHBondContact O-N 3.29Å |
| 1734 | E | 63.8 | Low | 64.4 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 175.6 | -70.2 | -170.3 | 177.2 | 0 | 0 | 113.7 | N1730 Q1731 R1738 | N1730-E1734 PolarHBondContact O-N 2.82Å; N1730-E1734 VanDerWaalsContact O-N 3.13Å; Q1731-E1734 PolarHBondContact O-N 3.3Å; E1734-R1738 WeakPolarHBondContact O-CB 3.27Å; E1734-R1738 PolarHBondContact O-N 3.23Å; E1734-R1738 PolarHBondContact O-NE 3.33Å; E1734-R1738 IonicContact OE2-NH2 2.87Å; E1734-R1738 PolarHBondContact OE2-NH2 3Å |
| 1735 | V | 70.6 | Confident | 64.1 | Low | 88 Ų | 88 | 100.9 Ų | 100.9 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | Q1731 Q1732 L1733 R1739 | Q1731-V1735 WeakPolarHBondContact O-CG2 3.46Å; Q1731-V1735 PolarHBondContact O-N 2.8Å; Q1732-V1735 PolarHBondContact O-N 3.43Å; L1733-V1735 VanDerWaalsContact C-N 3.32Å; L1733-V1735 PolarHBondContact O-N 3.24Å; V1735-R1739 PolarHBondContact O-N 3.45Å; V1735-R1739 VanDerWaalsContact O-N 3.16Å |
| 1736 | Q | 59.8 | Low | 63.9 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 174.9 | -67.9 | -175.6 | 24.9 | 0 | 0 | 111.7 | Q1732 L1733 R1738 R1739 I1740 | Q1732-Q1736 WeakPolarHBondContact O-CG 3.31Å; Q1732-Q1736 PolarHBondContact O-N 2.74Å; Q1732-Q1736 VanDerWaalsContact O-N 3.1Å; L1733-Q1736 PolarHBondContact O-N 2.95Å; Q1736-R1738 PolarHBondContact O-N 3.16Å; Q1736-R1739 PolarHBondContact O-N 2.93Å; Q1736-R1739 VanDerWaalsContact O-N 3.15Å; Q1736-I1740 WeakPolarHBondContact O-CG1 3.44Å; Q1736-I1740 PolarHBondContact O-N 2.85Å |
| 1737 | L | 56.6 | Low | 63.5 | Low | 60 Ų | 60 | 105.1 Ų | 105.1 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.2 | -73.9 | 168.5 | 0 | 0 | 0 | 112.6 | L1733 R1739 I1740 K1741 V1805 | L1733-L1737 WeakPolarHBondContact O-CB 3.4Å; L1733-L1737 WeakPolarHBondContact O-CG 3.48Å; L1733-L1737 PolarHBondContact O-N 3.29Å; L1737-R1739 PolarHBondContact O-N 2.87Å; L1737-I1740 PolarHBondContact O-N 3.3Å; L1737-K1741 PolarHBondContact O-N 2.84Å; L1737-K1741 VanDerWaalsContact O-N 3.07Å; L1737-V1805 HydrophobicContact CD1-CG1 4.45Å; L1737-V1805 HydrophobicContact CD1-CG2 4.29Å |
| 1738 | R | 68.8 | Low | 62.5 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 172.4 | -87.6 | 178.7 | -90.3 | -177.2 | -14.2 | 112.2 | E1734 Q1736 K1741 Q1742 | E1734-R1738 WeakPolarHBondContact O-CB 3.27Å; E1734-R1738 PolarHBondContact O-N 3.23Å; E1734-R1738 PolarHBondContact O-NE 3.33Å; E1734-R1738 IonicContact OE2-NH2 2.87Å; E1734-R1738 PolarHBondContact OE2-NH2 3Å; Q1736-R1738 PolarHBondContact O-N 3.16Å; R1738-K1741 PolarHBondContact O-N 2.68Å; R1738-Q1742 PolarHBondContact O-N 3.31Å |
| 1739 | R | 64.3 | Low | 61.6 | Low | 182 Ų | 182 | 104 Ų | 104 | 69% | 0.687 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | 179.3 | -165.1 | 174.5 | -173.9 | 175.9 | 1.3 | 112.6 | V1735 Q1736 L1737 L1743 | V1735-R1739 PolarHBondContact O-N 3.45Å; V1735-R1739 VanDerWaalsContact O-N 3.16Å; Q1736-R1739 PolarHBondContact O-N 2.93Å; Q1736-R1739 VanDerWaalsContact O-N 3.15Å; L1737-R1739 PolarHBondContact O-N 2.87Å; R1739-L1743 WeakPolarHBondContact O-CG 3.32Å; R1739-L1743 PolarHBondContact O-N 2.99Å |
| 1740 | I | 60.7 | Low | 60.8 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.4 | -68.2 | 167 | 0 | 0 | 0 | 111.1 | Q1736 L1737 Q1742 L1743 I1744 | Q1736-I1740 WeakPolarHBondContact O-CG1 3.44Å; Q1736-I1740 PolarHBondContact O-N 2.85Å; L1737-I1740 PolarHBondContact O-N 3.3Å; I1740-Q1742 PolarHBondContact O-N 3Å; I1740-L1743 PolarHBondContact O-N 3.25Å; I1740-I1744 HydrophobicContact CG2-CD1 3.83Å; I1740-I1744 HydrophobicContact CG2-CG1 4.49Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.41Å; I1740-I1744 PolarHBondContact O-N 3.1Å; I1740-I1744 VanDerWaalsContact O-N 3.1Å |
| 1741 | K | 53.7 | Low | 59.8 | Low | 108 Ų | 108 | 107 Ų | 107 | 47% | 0.47 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.6 | -50 | 174.7 | -77.4 | -174.8 | 175.7 | -178.1 | 0 | 112 | L1737 R1738 L1743 I1744 E1745 M1802 | L1737-K1741 PolarHBondContact O-N 2.84Å; L1737-K1741 VanDerWaalsContact O-N 3.07Å; R1738-K1741 PolarHBondContact O-N 2.68Å; K1741-L1743 VanDerWaalsContact C-N 3.33Å; K1741-L1743 PolarHBondContact O-N 2.9Å; K1741-I1744 PolarHBondContact O-N 3.45Å; K1741-I1744 VanDerWaalsContact O-N 3.15Å; K1741-E1745 WeakPolarHBondContact O-CG 3.45Å; K1741-E1745 PolarHBondContact O-N 3.48Å; K1741-M1802 WeakPolarHBondContact CE-SD 3.33Å; K1741-M1802 PolarHBondContact NZ-SD 2.77Å |
| 1742 | Q | 66.8 | Low | 58.5 | Low | 127 Ų | 127 | 108.1 Ų | 108.1 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58 | -41.9 | 178.7 | -71.7 | -177 | -36.9 | 0 | 0 | 113 | R1738 I1740 I1744 E1745 E1746 | R1738-Q1742 PolarHBondContact O-N 3.31Å; I1740-Q1742 PolarHBondContact O-N 3Å; Q1742-I1744 VanDerWaalsContact C-N 3.35Å; Q1742-I1744 PolarHBondContact O-N 2.81Å; Q1742-E1745 PolarHBondContact O-N 2.66Å; Q1742-E1746 PolarHBondContact O-N 3.06Å |
| 1743 | L | 62.2 | Low | 57.2 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 178.5 | -70.2 | 170.8 | 0 | 0 | 0 | 112.8 | R1739 I1740 K1741 Q1747 | R1739-L1743 WeakPolarHBondContact O-CG 3.32Å; R1739-L1743 PolarHBondContact O-N 2.99Å; I1740-L1743 PolarHBondContact O-N 3.25Å; K1741-L1743 VanDerWaalsContact C-N 3.33Å; K1741-L1743 PolarHBondContact O-N 2.9Å; L1743-Q1747 PolarHBondContact O-N 2.91Å; L1743-Q1747 VanDerWaalsContact O-N 3.11Å |
| 1744 | I | 53.7 | Low | 56.2 | Low | 62 Ų | 62 | 114.3 Ų | 114.3 | 32% | 0.318 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 175.5 | -67.8 | 170 | 0 | 0 | 0 | 110.9 | I1740 K1741 Q1742 Q1747 R1748 I1798 | I1740-I1744 HydrophobicContact CG2-CD1 3.83Å; I1740-I1744 HydrophobicContact CG2-CG1 4.49Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.41Å; I1740-I1744 PolarHBondContact O-N 3.1Å; I1740-I1744 VanDerWaalsContact O-N 3.1Å; K1741-I1744 PolarHBondContact O-N 3.45Å; K1741-I1744 VanDerWaalsContact O-N 3.15Å; Q1742-I1744 VanDerWaalsContact C-N 3.35Å; Q1742-I1744 PolarHBondContact O-N 2.81Å; I1744-Q1747 PolarHBondContact O-N 3.17Å; I1744-R1748 WeakPolarHBondContact O-CG 3.43Å; I1744-R1748 PolarHBondContact O-N 3.31Å; I1744-I1798 HydrophobicContact CD1-CD1 4.28Å |
| 1745 | E | 67.2 | Low | 54.7 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -41.6 | 175.4 | -70.7 | 173.7 | 148.7 | 0 | 0 | 111.4 | K1741 Q1742 Q1747 R1748 A1749 | K1741-E1745 WeakPolarHBondContact O-CG 3.45Å; K1741-E1745 PolarHBondContact O-N 3.48Å; Q1742-E1745 PolarHBondContact O-N 2.66Å; E1745-Q1747 VanDerWaalsContact C-N 3.34Å; E1745-Q1747 PolarHBondContact O-N 2.92Å; E1745-R1748 PolarHBondContact O-N 3.3Å; E1745-A1749 WeakPolarHBondContact O-CB 3.35Å; E1745-A1749 PolarHBondContact O-N 3.18Å |
| 1746 | E | 63.8 | Low | 52.8 | Low | 102 Ų | 102 | 121.2 Ų | 121.2 | 48% | 0.477 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.8 | -40.1 | 171.4 | -89 | -159.5 | -143.4 | 0 | 0 | 113.1 | Q1742 K1750 | Q1742-E1746 PolarHBondContact O-N 3.06Å; E1746-K1750 VanDerWaalsContact O-CD 3.25Å; E1746-K1750 WeakPolarHBondContact O-CD 3.18Å; E1746-K1750 WeakPolarHBondContact O-CE 3.45Å; E1746-K1750 WeakPolarHBondContact O-CG 3.42Å; E1746-K1750 PolarHBondContact O-N 3.32Å; E1746-K1750 IonicContact OE2-NZ 2.71Å; E1746-K1750 PolarHBondContact OE2-NZ 3.47Å |
| 1747 | Q | 51.3 | Low | 51.5 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73 | -39.2 | 176.8 | -75 | -160.1 | 1.9 | 0 | 0 | 112.6 | L1743 I1744 E1745 A1749 K1750 N1751 | L1743-Q1747 PolarHBondContact O-N 2.91Å; L1743-Q1747 VanDerWaalsContact O-N 3.11Å; I1744-Q1747 PolarHBondContact O-N 3.17Å; E1745-Q1747 VanDerWaalsContact C-N 3.34Å; E1745-Q1747 PolarHBondContact O-N 2.92Å; Q1747-A1749 VanDerWaalsContact C-N 3.32Å; Q1747-A1749 PolarHBondContact O-N 2.94Å; Q1747-K1750 PolarHBondContact O-N 3.22Å; Q1747-N1751 PolarHBondContact O-N 3.43Å |
| 1748 | R | 47.7 | Very low | 50.5 | Low | 142 Ų | 142 | 122.2 Ų | 122.2 | 54% | 0.536 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.8 | -43.2 | 174.1 | -76 | 179.5 | 172 | -172.1 | -3.3 | 111.3 | I1744 E1745 K1750 L1752 | I1744-R1748 WeakPolarHBondContact O-CG 3.43Å; I1744-R1748 PolarHBondContact O-N 3.31Å; E1745-R1748 PolarHBondContact O-N 3.3Å; R1748-K1750 VanDerWaalsContact C-N 3.33Å; R1748-K1750 PolarHBondContact O-N 3.03Å; R1748-L1752 WeakPolarHBondContact O-CG 3.42Å; R1748-L1752 PolarHBondContact O-N 2.97Å |
| 1749 | A | 53.3 | Low | 48.6 | Very low | 58 Ų | 58 | 124.8 Ų | 124.8 | 48% | 0.479 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.6 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1745 Q1747 N1753 | E1745-A1749 WeakPolarHBondContact O-CB 3.35Å; E1745-A1749 PolarHBondContact O-N 3.18Å; Q1747-A1749 VanDerWaalsContact C-N 3.32Å; Q1747-A1749 PolarHBondContact O-N 2.94Å; A1749-N1753 PolarHBondContact O-ND2 3.19Å |
| 1750 | K | 50.5 | Low | 47.2 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.7 | -41.6 | 178 | -71.4 | 162.4 | -164.2 | 167.6 | 0 | 112.3 | E1746 Q1747 R1748 N1753 | E1746-K1750 VanDerWaalsContact O-CD 3.25Å; E1746-K1750 WeakPolarHBondContact O-CD 3.18Å; E1746-K1750 WeakPolarHBondContact O-CE 3.45Å; E1746-K1750 WeakPolarHBondContact O-CG 3.42Å; E1746-K1750 PolarHBondContact O-N 3.32Å; E1746-K1750 IonicContact OE2-NZ 2.71Å; E1746-K1750 PolarHBondContact OE2-NZ 3.47Å; Q1747-K1750 PolarHBondContact O-N 3.22Å; R1748-K1750 VanDerWaalsContact C-N 3.33Å; R1748-K1750 PolarHBondContact O-N 3.03Å; K1750-N1753 PolarHBondContact O-N 2.65Å |
| 1751 | N | 41.7 | Very low | 45.8 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.1 | -30 | -176 | -67.8 | -2.6 | 0 | 0 | 0 | 113.3 | Q1747 N1753 | Q1747-N1751 PolarHBondContact O-N 3.43Å; N1751-N1753 PolarHBondContact O-N 2.92Å |
| 1752 | L | 42.7 | Very low | 44.9 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 1 | 176.1 | -79.7 | 166.3 | 0 | 0 | 0 | 115 | R1748 | R1748-L1752 WeakPolarHBondContact O-CG 3.42Å; R1748-L1752 PolarHBondContact O-N 2.97Å |
| 1753 | N | 41 | Very low | 43.3 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 14.4 | -174.7 | -77.3 | -73.9 | 0 | 0 | 0 | 114.4 | A1749 K1750 N1751 | A1749-N1753 PolarHBondContact O-ND2 3.19Å; K1750-N1753 PolarHBondContact O-N 2.65Å; N1751-N1753 PolarHBondContact O-N 2.92Å |
| 1754 | Q | 41 | Very low | 41.7 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | -20.6 | -174.4 | -65.7 | -165.7 | -16.4 | 0 | 0 | 117.2 | D1756 | Q1754-D1756 PolarHBondContact O-N 3.19Š|
| 1755 | D | 32.3 | Very low | 41 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | trans | -83.4 | 67.7 | -179.9 | -83 | -39 | 0 | 0 | 0 | 113.5 | ||||
| 1756 | D | 30.3 | Very low | 39.3 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -148.8 | 50.1 | 171.9 | -146.9 | -4.5 | 0 | 0 | 0 | 114.9 | Q1754 | Q1754-D1756 PolarHBondContact O-N 3.19Š| ||
| 1757 | A | 32 | Very low | 37.9 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | -157.4 | 137.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1758 | A | 35.8 | Very low | 36.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 101.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1759 | K | 28.3 | Very low | 36.3 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -83 | 161.6 | 155 | -77.3 | 177.9 | 172.3 | 170.4 | 0 | 111.4 | ||||
| 1760 | P | 35.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -154.2 | 124.4 | 96.3 | 35.9 | -15 | 0 | 0 | 0 | 119 | |||||
| 1761 | T | 31.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 63.4 | 92.8 | 124.9 | -44 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1762 | R | 33.9 | Very low | 34.1 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -168.5 | 157.2 | 145.3 | -102.6 | 165.7 | -178.5 | -174.2 | -0.2 | 107.9 | ||||
| 1763 | S | 35 | Very low | 33.8 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -163.9 | 175 | -15.8 | 32 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1764 | L | 28.6 | Very low | 33.3 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -141.6 | 166.5 | 178.1 | -89.3 | 161.7 | 0 | 0 | 0 | 109.3 | ||||
| 1765 | P | 37 | Very low | 33.1 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -142.7 | 177.9 | 30.5 | 43.5 | -23.7 | 0 | 0 | 0 | 119.9 | ||||
| 1766 | S | 32.1 | Very low | 33 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 167.2 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1767 | F | 34.3 | Very low | 33.1 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | -153 | 151.4 | 125.2 | -129.6 | -85.2 | 0 | 0 | 0 | 112.4 | |||||
| 1768 | D | 30.3 | Very low | 33.2 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -157.8 | 139 | -178 | 165.5 | 33.9 | 0 | 0 | 0 | 109.2 | ||||
| 1769 | Q | 35.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 175.7 | 120.1 | 150.1 | -103.3 | 159.9 | 32.9 | 0 | 0 | 116.6 | ||||
| 1770 | S | 32.5 | Very low | 32.9 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | 50.1 | 130.4 | 133.1 | 68.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1771 | L | 34.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | -172.9 | 173.4 | 105.5 | -98.3 | 164.7 | 0 | 0 | 0 | 112.3 | |||||
| 1772 | Q | 31.9 | Very low | 32.8 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -115.7 | 148.5 | -163.2 | -56.4 | 154.2 | -84.3 | 0 | 0 | 113.6 | ||||
| 1773 | H | 36.2 | Very low | 32.5 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -167.8 | 169.5 | 136.8 | -111.7 | -56.9 | 0 | 0 | 0 | 114.3 | ||||
| 1774 | D | 31.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 171.6 | -159.3 | -66.7 | -78.6 | 0 | 0 | 0 | 117 | ||||
| 1775 | P | 35.9 | Very low | 32.5 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -108.8 | 166.8 | -153.3 | 41 | -36.3 | 0 | 0 | 0 | 116.8 | ||||
| 1776 | V | 31.1 | Very low | 32.1 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 179.9 | 140.2 | 131.9 | 144.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1777 | M | 31.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 12.2 | 118.8 | 163.7 | -65.9 | -66.8 | 177.3 | 0 | 0 | 121.2 | ||||
| 1778 | L | 33.2 | Very low | 31.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | -172.2 | -176.7 | 127 | -104.7 | 161.3 | 0 | 0 | 0 | 111.3 | |||||
| 1779 | E | 27.9 | Very low | 31.8 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -91.9 | 176 | -159.2 | -60.8 | 166.7 | 112.7 | 0 | 0 | 116.8 | ||||
| 1780 | A | 31.5 | Very low | 31.6 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 84.8 | 118.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1781 | V | 30.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 53.8 | 113 | 135.7 | -174.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1782 | D | 32.9 | Very low | 31.7 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | -174.9 | 165 | 112.1 | -115.5 | -31.2 | 0 | 0 | 0 | 113.7 | |||||
| 1783 | E | 27.9 | Very low | 31.9 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -76.5 | 165.3 | 168.9 | -73 | -160.8 | 145.3 | 0 | 0 | 112.8 | ||||
| 1784 | P | 34 | Very low | 31.9 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | -140.4 | 155.8 | 110.4 | 38.2 | -27.4 | 0 | 0 | 0 | 115.6 | |||||
| 1785 | S | 30.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -88.4 | 158.4 | -173.1 | -17.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1786 | G | 28 | Very low | 32.4 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | 137.7 | 99.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1787 | L | 28.6 | Very low | 33 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | trans | 59.8 | 82.2 | 137.4 | -54 | 173.3 | 0 | 0 | 0 | 120.4 | ||||
| 1788 | T | 31 | Very low | 33.5 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | 179.8 | 80.7 | 128.8 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1789 | E | 31.2 | Very low | 34.4 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | trans | -157.9 | 6.2 | 171.6 | -132.2 | 163.4 | -139 | 0 | 0 | 118.1 | Y1791 | E1789-Y1791 PolarHBondContact O-N 3.28Š| ||
| 1790 | S | 31.9 | Very low | 35.7 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -15.9 | -168 | 51.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1791 | Y | 34 | Very low | 36.4 | Very low | 216 Ų | 216 | 115.3 Ų | 115.3 | 85% | 0.847 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -18.5 | -173.5 | -82 | -90.6 | 0 | 0 | 0 | 115.5 | E1789 | E1789-Y1791 PolarHBondContact O-N 3.28Š|
| 1792 | L | 35.4 | Very low | 37.3 | Very low | 134 Ų | 134 | 112.9 Ų | 112.9 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -34 | -175.9 | -68.1 | 172.7 | 0 | 0 | 0 | 113.2 | S1794 S1795 | L1792-S1794 PolarHBondContact O-N 3.45Å; L1792-S1795 PolarHBondContact O-N 3.11Å; L1792-S1795 VanDerWaalsContact O-N 3.14Å |
| 1793 | N | 35.1 | Very low | 38.7 | Very low | 96 Ų | 96 | 109.5 Ų | 109.5 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.3 | -8.7 | -177.4 | -83.4 | -39.4 | 0 | 0 | 0 | 115.3 | S1795 | N1793-S1795 VanDerWaalsContact C-N 3.32Å |
| 1794 | S | 35.3 | Very low | 40.1 | Very low | 78 Ų | 78 | 105.4 Ų | 105.4 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.7 | -37.1 | 170.2 | 171.7 | 0 | 0 | 0 | 0 | 112.4 | L1792 | L1792-S1794 PolarHBondContact O-N 3.45Å |
| 1795 | S | 39.3 | Very low | 41.3 | Very low | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.8 | -27.9 | -174.9 | -153.8 | 0 | 0 | 0 | 0 | 113.2 | L1792 N1793 | L1792-S1795 PolarHBondContact O-N 3.11Å; L1792-S1795 VanDerWaalsContact O-N 3.14Å; N1793-S1795 VanDerWaalsContact C-N 3.32Å |
| 1796 | A | 39.3 | Very low | 42.7 | Very low | 52 Ų | 52 | 103.2 Ų | 103.2 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1798 G1799 D1800 | A1796-I1798 PolarHBondContact O-N 3.43Å; A1796-I1798 VanDerWaalsContact O-N 3.1Å; A1796-G1799 WeakPolarHBondContact O-CA 3.34Å; A1796-G1799 PolarHBondContact O-N 3.15Å; A1796-D1800 PolarHBondContact O-N 3.25Å |
| 1797 | R | 43.4 | Very low | 44.3 | Very low | 191 Ų | 191 | 104.3 Ų | 104.3 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.2 | -24.7 | 179.8 | -67.8 | -178.2 | 179 | -174.1 | 0.8 | 114 | L1801 | R1797-L1801 WeakPolarHBondContact O-CB 3.38Å; R1797-L1801 PolarHBondContact O-N 2.98Å |
| 1798 | I | 43.6 | Very low | 45.7 | Very low | 63 Ų | 63 | 100 Ų | 100 | 32% | 0.323 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.8 | -33.3 | 174 | -67.8 | 170.9 | 0 | 0 | 0 | 111.1 | I1744 A1796 M1802 | I1744-I1798 HydrophobicContact CD1-CD1 4.28Å; A1796-I1798 PolarHBondContact O-N 3.43Å; A1796-I1798 VanDerWaalsContact O-N 3.1Å; I1798-M1802 HydrophobicContact CG2-CE 3.91Å; I1798-M1802 PolarHBondContact O-N 3.05Å; I1798-M1802 VanDerWaalsContact O-N 3.1Å |
| 1799 | G | 51.2 | Low | 47 | Very low | 27 Ų | 27 | 94.8 Ų | 94.8 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -51.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1796 L1801 M1802 N1803 | A1796-G1799 WeakPolarHBondContact O-CA 3.34Å; A1796-G1799 PolarHBondContact O-N 3.15Å; G1799-L1801 VanDerWaalsContact C-N 3.25Å; G1799-L1801 PolarHBondContact O-N 2.88Å; G1799-M1802 PolarHBondContact O-N 2.88Å; G1799-M1802 VanDerWaalsContact O-N 3.08Å; G1799-N1803 PolarHBondContact O-N 2.86Å |
| 1800 | D | 55.4 | Low | 48.6 | Very low | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.9 | -42.3 | 176.5 | -59.2 | -33.8 | 0 | 0 | 0 | 111.8 | A1796 N1803 T1804 | A1796-D1800 PolarHBondContact O-N 3.25Å; D1800-N1803 PolarHBondContact O-N 2.99Å; D1800-T1804 WeakPolarHBondContact O-CG2 3.37Å; D1800-T1804 PolarHBondContact O-N 3.33Å; D1800-T1804 PolarHBondContact O-OG1 2.89Å |
| 1801 | L | 46 | Very low | 49.6 | Very low | 78 Ų | 78 | 92 Ų | 92 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 177.4 | -169.7 | 68.1 | 0 | 0 | 0 | 111.7 | R1797 G1799 T1804 V1805 | R1797-L1801 WeakPolarHBondContact O-CB 3.38Å; R1797-L1801 PolarHBondContact O-N 2.98Å; G1799-L1801 VanDerWaalsContact C-N 3.25Å; G1799-L1801 PolarHBondContact O-N 2.88Å; L1801-T1804 PolarHBondContact O-N 3.25Å; L1801-T1804 PolarHBondContact O-OG1 3.36Å; L1801-V1805 WeakPolarHBondContact O-CG2 3.49Å; L1801-V1805 PolarHBondContact O-N 3.32Å |
| 1802 | M | 49.7 | Very low | 50.4 | Low | 77 Ų | 77 | 84.3 Ų | 84.3 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 177.1 | -78.1 | -164.2 | -81.2 | 0 | 0 | 112.8 | K1741 I1798 G1799 V1805 Q1806 | K1741-M1802 WeakPolarHBondContact CE-SD 3.33Å; K1741-M1802 PolarHBondContact NZ-SD 2.77Å; I1798-M1802 HydrophobicContact CG2-CE 3.91Å; I1798-M1802 PolarHBondContact O-N 3.05Å; I1798-M1802 VanDerWaalsContact O-N 3.1Å; G1799-M1802 PolarHBondContact O-N 2.88Å; G1799-M1802 VanDerWaalsContact O-N 3.08Å; M1802-V1805 PolarHBondContact O-N 2.66Å; M1802-Q1806 PolarHBondContact O-N 2.78Å |
| 1803 | N | 62.3 | Low | 51.5 | Low | 87 Ų | 87 | 79.9 Ų | 79.9 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.3 | -50.7 | 171.8 | -66.6 | -11.4 | 0 | 0 | 0 | 110.4 | G1799 D1800 V1805 Q1806 D1807 | G1799-N1803 PolarHBondContact O-N 2.86Å; D1800-N1803 PolarHBondContact O-N 2.99Å; N1803-V1805 PolarHBondContact O-N 3.34Å; N1803-Q1806 PolarHBondContact O-N 3.21Å; N1803-D1807 PolarHBondContact O-N 3.04Å |
| 1804 | T | 57.8 | Low | 52.5 | Low | 77 Ų | 77 | 80.5 Ų | 80.5 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -27.3 | 178 | 56.5 | 0 | 0 | 0 | 0 | 114 | D1800 L1801 L1808 | D1800-T1804 WeakPolarHBondContact O-CG2 3.37Å; D1800-T1804 PolarHBondContact O-N 3.33Å; D1800-T1804 PolarHBondContact O-OG1 2.89Å; L1801-T1804 PolarHBondContact O-N 3.25Å; L1801-T1804 PolarHBondContact O-OG1 3.36Å; T1804-L1808 VanDerWaalsContact O-CB 3.29Å; T1804-L1808 WeakPolarHBondContact O-CB 3.4Å; T1804-L1808 PolarHBondContact O-N 3.24Å |
| 1805 | V | 58.1 | Low | 52.9 | Low | 62 Ų | 62 | 81 Ų | 81 | 38% | 0.376 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -75.1 | -38.3 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L1737 L1801 M1802 N1803 G1809 | L1737-V1805 HydrophobicContact CD1-CG1 4.45Å; L1737-V1805 HydrophobicContact CD1-CG2 4.29Å; L1801-V1805 WeakPolarHBondContact O-CG2 3.49Å; L1801-V1805 PolarHBondContact O-N 3.32Å; M1802-V1805 PolarHBondContact O-N 2.66Å; N1803-V1805 PolarHBondContact O-N 3.34Å; V1805-G1809 PolarHBondContact O-N 3.03Å |
| 1806 | Q | 59.9 | Low | 53.6 | Low | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | 173.1 | -75.1 | -171.1 | -43.7 | 0 | 0 | 112.2 | M1802 N1803 G1809 K1810 | M1802-Q1806 PolarHBondContact O-N 2.78Å; N1803-Q1806 PolarHBondContact O-N 3.21Å; Q1806-G1809 PolarHBondContact O-N 2.98Å; Q1806-K1810 WeakPolarHBondContact O-CG 3.07Å; Q1806-K1810 PolarHBondContact O-N 3.46Å |
| 1807 | D | 62.6 | Low | 54.2 | Low | 91 Ų | 91 | 81.1 Ų | 81.1 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 177.3 | -66.3 | -32.1 | 0 | 0 | 0 | 111.7 | N1803 K1810 A1811 | N1803-D1807 PolarHBondContact O-N 3.04Å; D1807-K1810 PolarHBondContact O-N 3.27Å; D1807-A1811 WeakPolarHBondContact O-CB 3.36Å; D1807-A1811 PolarHBondContact O-N 3.08Å |
| 1808 | L | 56.3 | Low | 54.4 | Low | 81 Ų | 81 | 77.2 Ų | 77.2 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 171.1 | -167.4 | 71.5 | 0 | 0 | 0 | 111.6 | L1610 T1804 A1811 M1812 | L1610-L1808 HydrophobicContact CD2-CD1 4.42Å; T1804-L1808 VanDerWaalsContact O-CB 3.29Å; T1804-L1808 WeakPolarHBondContact O-CB 3.4Å; T1804-L1808 PolarHBondContact O-N 3.24Å; L1808-A1811 PolarHBondContact O-N 3.22Å; L1808-M1812 WeakPolarHBondContact O-CB 3.16Å; L1808-M1812 PolarHBondContact O-N 2.68Å |
| 1809 | G | 59.3 | Low | 54.9 | Low | 35 Ų | 35 | 79.4 Ų | 79.4 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1805 Q1806 M1812 G1813 | V1805-G1809 PolarHBondContact O-N 3.03Å; Q1806-G1809 PolarHBondContact O-N 2.98Å; G1809-M1812 PolarHBondContact O-N 2.81Å; G1809-G1813 PolarHBondContact O-N 2.93Å |
| 1810 | K | 64.5 | Low | 54.9 | Low | 135 Ų | 135 | 83 Ų | 83 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 172.9 | -73.7 | 174.2 | 179.6 | 173.5 | 0 | 112 | Q1806 D1807 M1812 G1813 N1814 | Q1806-K1810 WeakPolarHBondContact O-CG 3.07Å; Q1806-K1810 PolarHBondContact O-N 3.46Å; D1807-K1810 PolarHBondContact O-N 3.27Å; K1810-M1812 VanDerWaalsContact C-N 3.32Å; K1810-M1812 PolarHBondContact O-N 3.46Å; K1810-G1813 PolarHBondContact O-N 3.27Å; K1810-N1814 WeakPolarHBondContact O-CB 3.48Å; K1810-N1814 VanDerWaalsContact O-CG 3.28Å; K1810-N1814 PolarHBondContact O-N 3.2Å; K1810-N1814 PolarHBondContact O-OD1 2.97Å |
| 1811 | A | 53.5 | Low | 54.1 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1807 L1808 L1815 | D1807-A1811 WeakPolarHBondContact O-CB 3.36Å; D1807-A1811 PolarHBondContact O-N 3.08Å; L1808-A1811 PolarHBondContact O-N 3.22Å; A1811-L1815 WeakPolarHBondContact O-CB 3.47Å; A1811-L1815 PolarHBondContact O-N 2.9Å |
| 1812 | M | 51 | Low | 53.7 | Low | 55 Ų | 55 | 85.9 Ų | 85.9 | 27% | 0.271 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 173.5 | -164 | 97.9 | 119.1 | 0 | 0 | 111.3 | L1726 N1730 L1808 G1809 K1810 L1815 V1816 | L1726-M1812 HydrophobicContact CB-CE 3.96Å; N1730-M1812 HydrophobicContact CB-CE 4.21Å; L1808-M1812 WeakPolarHBondContact O-CB 3.16Å; L1808-M1812 PolarHBondContact O-N 2.68Å; G1809-M1812 PolarHBondContact O-N 2.81Å; K1810-M1812 VanDerWaalsContact C-N 3.32Å; K1810-M1812 PolarHBondContact O-N 3.46Å; M1812-L1815 PolarHBondContact O-N 3.29Å; M1812-V1816 WeakPolarHBondContact O-CG2 3.22Å; M1812-V1816 PolarHBondContact O-N 3.3Å |
| 1813 | G | 57.9 | Low | 53.1 | Low | 40 Ų | 40 | 89.9 Ų | 89.9 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1809 K1810 L1815 V1816 S1817 | G1809-G1813 PolarHBondContact O-N 2.93Å; K1810-G1813 PolarHBondContact O-N 3.27Å; G1813-L1815 VanDerWaalsContact C-N 3.34Å; G1813-L1815 PolarHBondContact O-N 2.83Å; G1813-V1816 PolarHBondContact O-N 3.29Å; G1813-S1817 PolarHBondContact O-N 3.22Å |
| 1814 | N | 56.4 | Low | 51.7 | Low | 109 Ų | 109 | 94.9 Ų | 94.9 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.7 | -33.5 | 176.2 | -67.4 | 6 | 0 | 0 | 0 | 112.3 | K1810 S1817 V1818 | K1810-N1814 WeakPolarHBondContact O-CB 3.48Å; K1810-N1814 VanDerWaalsContact O-CG 3.28Å; K1810-N1814 PolarHBondContact O-N 3.2Å; K1810-N1814 PolarHBondContact O-OD1 2.97Å; N1814-S1817 PolarHBondContact O-OG 2.81Å; N1814-V1818 WeakPolarHBondContact O-CB 3.49Å; N1814-V1818 VanDerWaalsContact O-CG2 3.24Å; N1814-V1818 WeakPolarHBondContact O-CG2 3.24Å; N1814-V1818 PolarHBondContact O-N 3Å; N1814-V1818 VanDerWaalsContact O-N 3.08Å |
| 1815 | L | 43.9 | Very low | 50.5 | Low | 90 Ų | 90 | 96.9 Ų | 96.9 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.1 | -37.6 | 175 | -174 | 64.3 | 0 | 0 | 0 | 111.5 | A1811 M1812 G1813 V1819 | A1811-L1815 WeakPolarHBondContact O-CB 3.47Å; A1811-L1815 PolarHBondContact O-N 2.9Å; M1812-L1815 PolarHBondContact O-N 3.29Å; G1813-L1815 VanDerWaalsContact C-N 3.34Å; G1813-L1815 PolarHBondContact O-N 2.83Å; L1815-V1819 WeakPolarHBondContact O-CB 3.2Å; L1815-V1819 VanDerWaalsContact O-CG2 3.26Å; L1815-V1819 WeakPolarHBondContact O-CG2 3.46Å; L1815-V1819 PolarHBondContact O-N 3.21Å |
| 1816 | V | 54.2 | Low | 49.2 | Very low | 64 Ų | 64 | 99.6 Ų | 99.6 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -44.4 | 173.1 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | M1812 G1813 V1819 T1820 | M1812-V1816 WeakPolarHBondContact O-CG2 3.22Å; M1812-V1816 PolarHBondContact O-N 3.3Å; G1813-V1816 PolarHBondContact O-N 3.29Å; V1816-V1819 PolarHBondContact O-N 3.39Å; V1816-T1820 HydrophobicContact CG1-CG2 4.33Å; V1816-T1820 WeakPolarHBondContact O-CB 3.34Å; V1816-T1820 WeakPolarHBondContact O-CG2 3.42Å; V1816-T1820 PolarHBondContact O-N 2.89Å; V1816-T1820 PolarHBondContact O-OG1 3.01Å |
| 1817 | S | 51.5 | Low | 47.9 | Very low | 55 Ų | 55 | 99.8 Ų | 99.8 | 39% | 0.385 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.4 | -49.6 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | G1813 N1814 V1819 T1820 S1821 | G1813-S1817 PolarHBondContact O-N 3.22Å; N1814-S1817 PolarHBondContact O-OG 2.81Å; S1817-V1819 PolarHBondContact O-N 2.72Å; S1817-V1819 VanDerWaalsContact O-N 3.12Å; S1817-T1820 CarbonylContact O-C 3.41Å; S1817-T1820 PolarHBondContact O-N 2.6Å; S1817-T1820 PolarHBondContact O-OG1 3.49Å; S1817-S1821 WeakPolarHBondContact O-CB 3.46Å; S1817-S1821 PolarHBondContact O-N 2.82Å; S1817-S1821 PolarHBondContact O-OG 3.18Å; S1817-S1821 VanDerWaalsContact O-OG 3.06Å |
| 1818 | V | 48 | Very low | 46.6 | Very low | 109 Ų | 109 | 100 Ų | 100 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.9 | -22.6 | 177.8 | 169.6 | 0 | 0 | 0 | 0 | 113.7 | N1814 | N1814-V1818 WeakPolarHBondContact O-CB 3.49Å; N1814-V1818 VanDerWaalsContact O-CG2 3.24Å; N1814-V1818 WeakPolarHBondContact O-CG2 3.24Å; N1814-V1818 PolarHBondContact O-N 3Å; N1814-V1818 VanDerWaalsContact O-N 3.08Å |
| 1819 | V | 52.5 | Low | 45.4 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -94.3 | -7.4 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | L1815 V1816 S1817 | L1815-V1819 WeakPolarHBondContact O-CB 3.2Å; L1815-V1819 VanDerWaalsContact O-CG2 3.26Å; L1815-V1819 WeakPolarHBondContact O-CG2 3.46Å; L1815-V1819 PolarHBondContact O-N 3.21Å; V1816-V1819 PolarHBondContact O-N 3.39Å; S1817-V1819 PolarHBondContact O-N 2.72Å; S1817-V1819 VanDerWaalsContact O-N 3.12Å |
| 1820 | T | 52.3 | Low | 44.1 | Very low | 102 Ų | 102 | 109 Ų | 109 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -120.3 | -15.6 | -178 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | V1816 S1817 E1822 | V1816-T1820 HydrophobicContact CG1-CG2 4.33Å; V1816-T1820 WeakPolarHBondContact O-CB 3.34Å; V1816-T1820 WeakPolarHBondContact O-CG2 3.42Å; V1816-T1820 PolarHBondContact O-N 2.89Å; V1816-T1820 PolarHBondContact O-OG1 3.01Å; S1817-T1820 CarbonylContact O-C 3.41Å; S1817-T1820 PolarHBondContact O-N 2.6Å; S1817-T1820 PolarHBondContact O-OG1 3.49Å; T1820-E1822 PolarHBondContact O-N 2.8Å |
| 1821 | S | 38.6 | Very low | 42.4 | Very low | 86 Ų | 86 | 111.8 Ų | 111.8 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | trans | -92.2 | 76.6 | 176.1 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | S1817 | S1817-S1821 WeakPolarHBondContact O-CB 3.46Å; S1817-S1821 PolarHBondContact O-N 2.82Å; S1817-S1821 PolarHBondContact O-OG 3.18Å; S1817-S1821 VanDerWaalsContact O-OG 3.06Å | ||
| 1822 | E | 38 | Very low | 41.9 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | trans | -83.2 | 160.3 | 149.6 | -65.8 | -166.9 | 124.9 | 0 | 0 | 108.9 | T1820 | T1820-E1822 PolarHBondContact O-N 2.8Š| ||
| 1823 | D | 36.8 | Very low | 41.4 | Very low | 160 Ų | 160 | 117.6 Ų | 117.6 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 64.8 | 70.8 | 178.7 | -62.2 | -23 | 0 | 0 | 0 | 118.6 | ||
| 1824 | E | 32.9 | Very low | 40.5 | Very low | 193 Ų | 193 | 121.9 Ų | 121.9 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | trans | -168.1 | 171.3 | 133.1 | -110.8 | 169.2 | -154.2 | 0 | 0 | 113 | ||||
| 1825 | S | 32.6 | Very low | 39.5 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | 74.3 | 40.7 | 172.7 | 75.9 | 0 | 0 | 0 | 0 | 120.6 | T1827 | S1825-T1827 PolarHBondContact O-N 3.41Š| ||
| 1826 | S | 30.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -87.6 | 71.5 | 164.7 | 51 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1827 | T | 33.1 | Very low | 38.3 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -160.5 | 60.5 | 173.1 | -5.9 | 0 | 0 | 0 | 0 | 116.3 | S1825 | S1825-T1827 PolarHBondContact O-N 3.41Š| ||
| 1828 | A | 34.9 | Very low | 37.3 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -154.2 | 78.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1829 | E | 31.7 | Very low | 36.5 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 59.4 | 117.8 | 97.8 | -67 | -157 | 137.7 | 0 | 0 | 113.5 | |||||
| 1830 | A | 30.7 | Very low | 35.2 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 93% | 0.934 | 82% | 0.819 | S | S | * | * | trans | -89.2 | 123.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1831 | D | 30.6 | Very low | 33.6 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 100% | 1.032 | 84% | 0.837 | S | S | * | * | trans | -144 | 0 | 176.3 | -171.5 | 57.6 | 0 | 0 | 0 | 108.5 | K281 | K281-D1831 IonicContact NZ-OD2 3.59Å; K281-D1831 PolarHBondContact NZ-OD2 3.26Å |
Retrieved 1,831 of 1,831 residues in 633 ms
(Link to these results)