| 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 | 32.2 | Very low | 59.5 | Low | 236 Ų | 236 | 76.5 Ų | 76.5 | 100% | 1.163 | 43% | 0.428 | S | S | * | . | 0 | 104.9 | 0 | -61.1 | -174.4 | -160.9 | 0 | 0 | 106.5 | G3 | M1-G3 PolarHBondContact O-N 2.98Š| |||
| 2 | S | 33.6 | Very low | 61.5 | Low | 131 Ų | 131 | 73.3 Ų | 73.3 | 92% | 0.916 | 41% | 0.413 | S | S | * | . | trans | -65.7 | 88.7 | 164.3 | 45.3 | 0 | 0 | 0 | 0 | 105.8 | N4 | S2-N4 PolarHBondContact O-N 3.34Š| ||
| 3 | G | 42.9 | Very low | 63.2 | Low | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | trans | -50.2 | 138.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1 I5 | M1-G3 PolarHBondContact O-N 2.98Å; G3-I5 WeakPolarHBondContact O-CG1 3.18Å; G3-I5 PolarHBondContact O-N 3.02Å | ||
| 4 | N | 54.1 | Low | 64.6 | Low | 56 Ų | 56 | 63.7 Ų | 63.7 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -69.8 | 74.3 | 178.8 | -158.1 | -3.4 | 0 | 0 | 0 | 106.1 | S2 G6 M7 T740 V741 | S2-N4 PolarHBondContact O-N 3.34Å; N4-G6 PolarHBondContact O-N 2.95Å; N4-M7 HydrophobicContact CB-CB 4.15Å; N4-M7 HydrophobicContact CB-CG 3.74Å; N4-M7 WeakPolarHBondContact ND2-CG 3.48Å; N4-M7 WeakPolarHBondContact O-CA 3.48Å; N4-M7 VanDerWaalsContact O-CB 3.24Å; N4-M7 WeakPolarHBondContact O-CB 3.26Å; N4-M7 PolarHBondContact O-N 3.04Å; N4-T740 WeakPolarHBondContact OD1-CA 3.41Å; N4-V741 PolarHBondContact ND2-N 3.43Å; N4-V741 PolarHBondContact ND2-O 3.43Å; N4-V741 PolarHBondContact OD1-N 3.31Å | ||
| 5 | I | 56.8 | Low | 65.7 | Low | 124 Ų | 124 | 60 Ų | 60 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -50.2 | -35.8 | -166.4 | -69.1 | 160.4 | 0 | 0 | 0 | 111.2 | G3 M7 E8 Q9 | G3-I5 WeakPolarHBondContact O-CG1 3.18Å; G3-I5 PolarHBondContact O-N 3.02Å; I5-M7 PolarHBondContact O-N 3.3Å; I5-E8 PolarHBondContact O-N 2.67Å; I5-Q9 WeakPolarHBondContact O-CG 3.22Å; I5-Q9 PolarHBondContact O-N 2.71Å |
| 6 | G | 60.9 | Low | 66.7 | Low | 22 Ų | 22 | 63 Ų | 63 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N4 Q9 L10 | N4-G6 PolarHBondContact O-N 2.95Å; G6-Q9 PolarHBondContact O-N 3.17Å; G6-L10 WeakPolarHBondContact O-CG 3.3Å; G6-L10 PolarHBondContact O-N 2.83Å |
| 7 | M | 63.5 | Low | 67.6 | Low | 24 Ų | 24 | 59.4 Ų | 59.4 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.8 | -68.9 | -77.6 | -106.6 | 0 | 0 | 111.6 | N4 I5 Q9 L10 T287 N288 T740 V741 | N4-M7 HydrophobicContact CB-CB 4.15Å; N4-M7 HydrophobicContact CB-CG 3.74Å; N4-M7 WeakPolarHBondContact ND2-CG 3.48Å; N4-M7 WeakPolarHBondContact O-CA 3.48Å; N4-M7 VanDerWaalsContact O-CB 3.24Å; N4-M7 WeakPolarHBondContact O-CB 3.26Å; N4-M7 PolarHBondContact O-N 3.04Å; I5-M7 PolarHBondContact O-N 3.3Å; M7-Q9 PolarHBondContact O-N 3.19Å; M7-L10 PolarHBondContact O-N 2.98Å; M7-L10 HydrophobicContact SD-CD1 4.3Å; M7-T287 HydrophobicContact CB-CG2 3.71Å; M7-T287 HydrophobicContact CE-CG2 3.99Å; M7-T287 HydrophobicContact CG-CG2 4.2Å; M7-T287 HydrophobicContact SD-CG2 3.63Å; M7-N288 WeakPolarHBondContact CE-OD1 3.48Å; M7-T740 HydrophobicContact CB-CG2 4.46Å; M7-T740 HydrophobicContact CG-CG2 3.72Å; M7-T740 HydrophobicContact SD-CG2 4.07Å; M7-V741 WeakPolarHBondContact CE-O 3.31Å |
| 8 | E | 67.8 | Low | 68.2 | Low | 113 Ų | 113 | 57.3 Ų | 57.3 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.7 | -23.1 | -178.3 | -66.1 | 177.8 | -174.8 | 0 | 0 | 112.3 | I5 P12 | I5-E8 PolarHBondContact O-N 2.67Å; E8-P12 VanDerWaalsContact O-CD 3.3Å; E8-P12 WeakPolarHBondContact O-CD 3.35Å |
| 9 | Q | 77.7 | Confident | 68.5 | Low | 94 Ų | 94 | 55.9 Ų | 55.9 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -89.2 | -11.2 | 178.7 | -62.6 | -61.7 | -28.8 | 0 | 0 | 114 | I5 G6 M7 P12 L13 V736 | I5-Q9 WeakPolarHBondContact O-CG 3.22Å; I5-Q9 PolarHBondContact O-N 2.71Å; G6-Q9 PolarHBondContact O-N 3.17Å; M7-Q9 PolarHBondContact O-N 3.19Å; Q9-P12 WeakPolarHBondContact O-CD 3.29Å; Q9-L13 WeakPolarHBondContact O-CB 3.39Å; Q9-L13 PolarHBondContact O-N 3.13Å; Q9-V736 HydrophobicContact CB-CG1 4.48Å; Q9-V736 HydrophobicContact CB-CG2 4.36Å |
| 10 | L | 82.7 | Confident | 68.7 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | -177.5 | -70 | 179.7 | 0 | 0 | 0 | 112.9 | G6 M7 L13 V14 T287 I290 R291 L294 V736 | G6-L10 WeakPolarHBondContact O-CG 3.3Å; G6-L10 PolarHBondContact O-N 2.83Å; M7-L10 PolarHBondContact O-N 2.98Å; M7-L10 HydrophobicContact SD-CD1 4.3Å; L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-V14 PolarHBondContact O-N 2.9Å; L10-T287 HydrophobicContact CD1-CG2 4.16Å; L10-I290 HydrophobicContact CB-CB 4.41Å; L10-I290 HydrophobicContact CB-CD1 4.48Å; L10-I290 HydrophobicContact CB-CG2 3.94Å; L10-I290 HydrophobicContact CD2-CG2 4.4Å; L10-R291 HydrophobicContact CD1-CB 3.82Å; L10-R291 HydrophobicContact CD1-CG 4.36Å; L10-L294 HydrophobicContact CD2-CD2 4.23Å; L10-V736 HydrophobicContact CD2-CG1 4.07Å |
| 11 | I | 82.1 | Confident | 69 | Low | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -48.8 | 178.3 | -63.8 | 171.2 | 0 | 0 | 0 | 110.8 | L13 V14 N15 N132 L286 I290 | I11-L13 PolarHBondContact O-N 3.2Å; I11-V14 PolarHBondContact O-N 3.4Å; I11-N15 VanDerWaalsContact O-CG 3.31Å; I11-N15 PolarHBondContact O-N 3.12Å; I11-N132 HydrophobicContact CB-CB 4.49Å; I11-N132 HydrophobicContact CD1-CB 4.49Å; I11-N132 WeakPolarHBondContact CD1-O 3.45Å; I11-N132 HydrophobicContact CG2-CB 4.38Å; I11-L286 HydrophobicContact CD1-CD2 4.01Å; I11-L286 HydrophobicContact CD1-CG 4.31Å; I11-L286 HydrophobicContact CG1-CD2 4.06Å; I11-L286 HydrophobicContact CG1-CG 4.22Å; I11-I290 HydrophobicContact CB-CD1 4.38Å; I11-I290 HydrophobicContact CG1-CD1 3.65Å |
| 12 | P | 83.1 | Confident | 70.8 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.7 | -37.1 | 170.5 | -28.6 | 34.3 | 0 | 0 | 0 | 114.3 | E8 Q9 N15 R16 | E8-P12 VanDerWaalsContact O-CD 3.3Å; E8-P12 WeakPolarHBondContact O-CD 3.35Å; Q9-P12 WeakPolarHBondContact O-CD 3.29Å; P12-N15 PolarHBondContact O-N 3.32Å; P12-R16 WeakPolarHBondContact O-CG 3.37Å; P12-R16 PolarHBondContact O-N 3.1Å |
| 13 | L | 83.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.8 | 176.4 | 135.8 | 0 | 0 | 0 | 112.3 | Q9 L10 I11 N15 R16 L17 L294 I732 V736 | Q9-L13 WeakPolarHBondContact O-CB 3.39Å; Q9-L13 PolarHBondContact O-N 3.13Å; L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 2.89Å; I11-L13 PolarHBondContact O-N 3.2Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 3.49Å; L13-R16 PolarHBondContact O-N 3.34Å; L13-L17 HydrophobicContact CD2-CD1 3.97Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.61Å; L13-L294 HydrophobicContact CD2-CD1 4.01Å; L13-L294 HydrophobicContact CD2-CD2 3.71Å; L13-I732 HydrophobicContact CD1-CG2 4.32Å; L13-I732 VanDerWaalsContact CD1-O 3.27Å; L13-I732 WeakPolarHBondContact CD1-O 3.34Å; L13-I732 HydrophobicContact CG-CG2 4.05Å; L13-V736 HydrophobicContact CB-CG2 4.36Å; L13-V736 HydrophobicContact CD1-CB 3.65Å; L13-V736 HydrophobicContact CD1-CG2 3.3Å; L13-V736 HydrophobicContact CG-CG2 4.47Å |
| 14 | V | 83.1 | Confident | 73.4 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L10 I11 L17 Q18 L32 P33 I290 | L10-V14 PolarHBondContact O-N 2.9Å; I11-V14 PolarHBondContact O-N 3.4Å; V14-L17 WeakPolarHBondContact O-CB 3.44Å; V14-L17 PolarHBondContact O-N 3.28Å; V14-Q18 WeakPolarHBondContact O-CB 3.27Å; V14-Q18 PolarHBondContact O-N 3.32Å; V14-L32 HydrophobicContact CG1-CB 4.41Å; V14-P33 HydrophobicContact CG1-CG 4.42Å; V14-P33 HydrophobicContact CG2-CG 3.93Å; V14-I290 HydrophobicContact CB-CD1 4.37Å; V14-I290 HydrophobicContact CG2-CB 4.38Å; V14-I290 HydrophobicContact CG2-CD1 3.78Å; V14-I290 HydrophobicContact CG2-CG1 3.88Å; V14-I290 HydrophobicContact CG2-CG2 3.57Å |
| 15 | N | 81.3 | Confident | 73.6 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.9 | -66.3 | -16.1 | 0 | 0 | 0 | 111.3 | I11 P12 L13 L17 Q18 D19 T134 | I11-N15 VanDerWaalsContact O-CG 3.31Å; I11-N15 PolarHBondContact O-N 3.12Å; P12-N15 PolarHBondContact O-N 3.32Å; L13-N15 VanDerWaalsContact C-N 3.28Å; L13-N15 PolarHBondContact O-N 3.49Å; N15-L17 VanDerWaalsContact C-N 3.3Å; N15-L17 PolarHBondContact O-N 3.27Å; N15-Q18 WeakPolarHBondContact O-CB 3.44Å; N15-Q18 PolarHBondContact O-N 3.24Å; N15-D19 PolarHBondContact O-N 3.39Å; N15-D19 VanDerWaalsContact O-OD2 3.11Å; N15-T134 PolarHBondContact ND2-OG1 3.35Å; N15-T134 PolarHBondContact OD1-OG1 3.49Å |
| 16 | R | 81.8 | Confident | 73.6 | Confident | 108 Ų | 108 | 36.1 Ų | 36.1 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 174.7 | -74.8 | 175.5 | 63.4 | -170.6 | -3 | 112.5 | P12 L13 D19 A20 I732 E735 | P12-R16 WeakPolarHBondContact O-CG 3.37Å; P12-R16 PolarHBondContact O-N 3.1Å; L13-R16 PolarHBondContact O-N 3.34Å; R16-D19 PolarHBondContact O-N 3.25Å; R16-A20 WeakPolarHBondContact O-CB 3.32Å; R16-A20 PolarHBondContact O-N 3.49Å; R16-I732 HydrophobicContact CB-CD1 4.29Å; R16-I732 HydrophobicContact CB-CG2 4.01Å; R16-E735 IonicContact CZ-OE2 3.24Å; R16-E735 VanDerWaalsContact CZ-OE2 3.27Å; R16-E735 IonicContact NH1-OE2 2.84Å; R16-E735 PolarHBondContact NH1-OE2 3.16Å; R16-E735 IonicContact NH2-OE1 2.86Å; R16-E735 PolarHBondContact NH2-OE1 3.12Å; R16-E735 IonicContact NH2-OE2 2.69Å; R16-E735 PolarHBondContact NH2-OE2 2.94Å |
| 17 | L | 81.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.5 | -71.1 | 173.9 | 0 | 0 | 0 | 111.2 | L13 V14 N15 D19 A20 F21 L32 L294 A729 I732 I733 | L13-L17 HydrophobicContact CD2-CD1 3.97Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 2.61Å; V14-L17 WeakPolarHBondContact O-CB 3.44Å; V14-L17 PolarHBondContact O-N 3.28Å; N15-L17 VanDerWaalsContact C-N 3.3Å; N15-L17 PolarHBondContact O-N 3.27Å; L17-D19 VanDerWaalsContact C-N 3.25Å; L17-D19 PolarHBondContact O-N 2.93Å; L17-A20 PolarHBondContact O-N 3.41Å; L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CB-CE2 4.12Å; L17-F21 HydrophobicContact CD2-CE2 4.34Å; L17-F21 WeakPolarHBondContact O-CD2 3.16Å; L17-F21 WeakPolarHBondContact O-CG 3.3Å; L17-F21 PolarHBondContact O-N 2.91Å; L17-L32 HydrophobicContact CB-CD1 4.46Å; L17-L32 HydrophobicContact CB-CD2 4.25Å; L17-L32 HydrophobicContact CD1-CD2 4.39Å; L17-L294 HydrophobicContact CD1-CD1 4.44Å; L17-A729 HydrophobicContact CD2-CB 3.69Å; L17-A729 WeakPolarHBondContact CD2-O 3.36Å; L17-I732 HydrophobicContact CD2-CB 3.93Å; L17-I732 HydrophobicContact CD2-CD1 4.21Å; L17-I732 HydrophobicContact CD2-CG2 3.92Å; L17-I732 HydrophobicContact CG-CG2 3.99Å; L17-I733 HydrophobicContact CD1-CD1 4.24Å; L17-I733 HydrophobicContact CD1-CG1 3.89Å; L17-I733 HydrophobicContact CD2-CD1 4.46Å; L17-I733 HydrophobicContact CD2-CG1 4.13Å |
| 18 | Q | 79.2 | Confident | 72.7 | Confident | 23 Ų | 23 | 40 Ų | 40 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 177.8 | -170.9 | 175.5 | 19.9 | 0 | 0 | 111.8 | V14 N15 S22 L32 V71 Q73 | V14-Q18 WeakPolarHBondContact O-CB 3.27Å; V14-Q18 PolarHBondContact O-N 3.32Å; N15-Q18 WeakPolarHBondContact O-CB 3.44Å; N15-Q18 PolarHBondContact O-N 3.24Å; Q18-S22 VanDerWaalsContact O-CB 3.26Å; Q18-S22 WeakPolarHBondContact O-CB 3.26Å; Q18-S22 PolarHBondContact O-N 3.47Å; Q18-S22 PolarHBondContact O-OG 3.48Å; Q18-L32 HydrophobicContact CB-CD1 3.79Å; Q18-L32 HydrophobicContact CG-CD1 4.29Å; Q18-V71 VanDerWaalsContact NE2-CG1 3.32Å; Q18-Q73 VanDerWaalsContact OE1-NE2 3.14Å |
| 19 | D | 74.1 | Confident | 72.2 | Confident | 31 Ų | 31 | 41 Ų | 41 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -47.2 | 177.5 | -59.7 | -35.6 | 0 | 0 | 0 | 112.3 | N15 R16 L17 F21 S22 S23 R124 | N15-D19 PolarHBondContact O-N 3.39Å; N15-D19 VanDerWaalsContact O-OD2 3.11Å; R16-D19 PolarHBondContact O-N 3.25Å; L17-D19 VanDerWaalsContact C-N 3.25Å; L17-D19 PolarHBondContact O-N 2.93Å; D19-F21 VanDerWaalsContact C-N 3.31Å; D19-F21 PolarHBondContact O-N 3.38Å; D19-S22 PolarHBondContact O-N 3.36Å; D19-S23 VanDerWaalsContact O-CB 3.24Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 3.4Å; D19-S23 PolarHBondContact O-OG 3.01Å; D19-R124 IonicContact OD1-CZ 3.5Å; D19-R124 IonicContact OD1-NH2 2.74Å; D19-R124 PolarHBondContact OD1-NH2 3.15Å; D19-R124 IonicContact OD2-CZ 3.94Å; D19-R124 IonicContact OD2-NH2 3.35Å; D19-R124 PolarHBondContact OD2-NH2 3.11Å |
| 20 | A | 72.9 | Confident | 71.7 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.7 | -51.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R16 L17 S22 S23 L24 I732 | R16-A20 WeakPolarHBondContact O-CB 3.32Å; R16-A20 PolarHBondContact O-N 3.49Å; L17-A20 PolarHBondContact O-N 3.41Å; A20-S22 PolarHBondContact O-N 2.84Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 PolarHBondContact O-OG 2.94Å; A20-L24 WeakPolarHBondContact O-CD1 3.46Å; A20-L24 WeakPolarHBondContact O-CG 3.36Å; A20-L24 PolarHBondContact O-N 3.29Å; A20-I732 HydrophobicContact CB-CD1 4.12Å |
| 21 | F | 73.4 | Confident | 71.3 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 179 | -62.8 | -52.4 | 0 | 0 | 0 | 113.7 | L17 D19 S23 L24 G25 L28 L30 L32 L301 A729 | L17-F21 HydrophobicContact CB-CD2 4.47Å; L17-F21 HydrophobicContact CB-CE2 4.12Å; L17-F21 HydrophobicContact CD2-CE2 4.34Å; L17-F21 WeakPolarHBondContact O-CD2 3.16Å; L17-F21 WeakPolarHBondContact O-CG 3.3Å; L17-F21 PolarHBondContact O-N 2.91Å; D19-F21 VanDerWaalsContact C-N 3.31Å; D19-F21 PolarHBondContact O-N 3.38Å; F21-S23 PolarHBondContact O-N 3.13Å; F21-L24 PolarHBondContact O-N 2.86Å; F21-G25 PolarHBondContact O-N 3.5Å; F21-L28 HydrophobicContact CD1-CB 4.11Å; F21-L28 HydrophobicContact CD1-CD1 3.49Å; F21-L28 VanDerWaalsContact CD1-CD1 3.49Å; F21-L28 HydrophobicContact CD1-CG 4.37Å; F21-L28 HydrophobicContact CE1-CB 4.46Å; F21-L28 HydrophobicContact CE1-CD1 3.68Å; F21-L30 HydrophobicContact CD1-CD1 3.94Å; F21-L30 HydrophobicContact CD2-CD1 4Å; F21-L30 HydrophobicContact CE1-CD1 3.32Å; F21-L30 HydrophobicContact CE2-CD1 3.39Å; F21-L30 HydrophobicContact CG-CD1 4.27Å; F21-L30 HydrophobicContact CZ-CD1 3Å; F21-L30 HydrophobicContact CZ-CG 4.48Å; F21-L32 HydrophobicContact CD2-CD1 4.36Å; F21-L32 HydrophobicContact CE2-CD2 4.43Å; F21-L301 HydrophobicContact CZ-CD2 4.36Å; F21-A729 HydrophobicContact CE1-CB 3.82Å; F21-A729 HydrophobicContact CE2-CB 4.14Å; F21-A729 HydrophobicContact CZ-CB 3.27Å |
| 22 | S | 71.5 | Confident | 71.3 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | Q18 D19 A20 L24 G25 | Q18-S22 VanDerWaalsContact O-CB 3.26Å; Q18-S22 WeakPolarHBondContact O-CB 3.26Å; Q18-S22 PolarHBondContact O-N 3.47Å; Q18-S22 PolarHBondContact O-OG 3.48Å; D19-S22 PolarHBondContact O-N 3.36Å; A20-S22 PolarHBondContact O-N 2.84Å; S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 3.42Å; S22-G25 PolarHBondContact O-N 2.99Å |
| 23 | S | 66.4 | Low | 71.4 | Confident | 84 Ų | 84 | 38 Ų | 38 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.2 | -27.4 | -179.8 | 74.5 | 0 | 0 | 0 | 0 | 113.2 | D19 A20 F21 G25 | D19-S23 VanDerWaalsContact O-CB 3.24Å; D19-S23 WeakPolarHBondContact O-CB 3.39Å; D19-S23 PolarHBondContact O-N 3.4Å; D19-S23 PolarHBondContact O-OG 3.01Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 PolarHBondContact O-OG 2.94Å; F21-S23 PolarHBondContact O-N 3.13Å; S23-G25 VanDerWaalsContact C-N 3.32Å |
| 24 | L | 64.4 | Low | 71.6 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.4 | -14.9 | -178.9 | -68.7 | 159 | 0 | 0 | 0 | 112.3 | A20 F21 S22 V26 R721 A725 | A20-L24 WeakPolarHBondContact O-CD1 3.46Å; A20-L24 WeakPolarHBondContact O-CG 3.36Å; A20-L24 PolarHBondContact O-N 3.29Å; F21-L24 PolarHBondContact O-N 2.86Å; S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 3.42Å; L24-V26 HydrophobicContact CB-CG2 4.26Å; L24-V26 PolarHBondContact O-N 3.21Å; L24-R721 HydrophobicContact CD2-CG 4.33Å; L24-R721 WeakPolarHBondContact O-CD 3.48Å; L24-A725 HydrophobicContact CD1-CB 3.21Å; L24-A725 HydrophobicContact CG-CB 4.28Å |
| 25 | G | 58.2 | Low | 72.2 | Confident | 63 Ų | 63 | 38.7 Ų | 38.7 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | 18.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F21 S22 S23 | F21-G25 PolarHBondContact O-N 3.5Å; S22-G25 PolarHBondContact O-N 2.99Å; S23-G25 VanDerWaalsContact C-N 3.32Å |
| 26 | V | 57 | Low | 72.9 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | trans | -97.3 | 127.4 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | L24 L28 R721 V722 | L24-V26 HydrophobicContact CB-CG2 4.26Å; L24-V26 PolarHBondContact O-N 3.21Å; V26-L28 HydrophobicContact CB-CD1 4.1Å; V26-L28 HydrophobicContact CB-CG 4.43Å; V26-L28 HydrophobicContact CG1-CB 4.46Å; V26-L28 HydrophobicContact CG1-CD1 3.85Å; V26-L28 HydrophobicContact CG1-CG 3.75Å; V26-L28 PolarHBondContact O-N 2.82Å; V26-R721 HydrophobicContact CG2-CG 4.15Å; V26-V722 HydrophobicContact CB-CG2 4.36Å; V26-V722 HydrophobicContact CG1-CB 4.35Å; V26-V722 HydrophobicContact CG1-CG1 4.49Å; V26-V722 HydrophobicContact CG1-CG2 3.38Å; V26-V722 HydrophobicContact CG2-CG2 4Å | ||
| 27 | P | 51.1 | Low | 73.6 | Confident | 103 Ų | 103 | 33.2 Ų | 33.2 | 67% | 0.669 | 21% | 0.208 | S | C | * | . | trans | -72.9 | 68.5 | 167.4 | 32.4 | -33 | 0 | 0 | 0 | 108.8 | N29 | P27-N29 PolarHBondContact O-N 3.4Š| ||
| 28 | L | 53.1 | Low | 74.3 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | trans | -68 | 106.6 | 165.1 | -91.4 | 147.3 | 0 | 0 | 0 | 105.5 | F21 V26 L30 V722 A725 M726 | F21-L28 HydrophobicContact CD1-CB 4.11Å; F21-L28 HydrophobicContact CD1-CD1 3.49Å; F21-L28 VanDerWaalsContact CD1-CD1 3.49Å; F21-L28 HydrophobicContact CD1-CG 4.37Å; F21-L28 HydrophobicContact CE1-CB 4.46Å; F21-L28 HydrophobicContact CE1-CD1 3.68Å; V26-L28 HydrophobicContact CB-CD1 4.1Å; V26-L28 HydrophobicContact CB-CG 4.43Å; V26-L28 HydrophobicContact CG1-CB 4.46Å; V26-L28 HydrophobicContact CG1-CD1 3.85Å; V26-L28 HydrophobicContact CG1-CG 3.75Å; V26-L28 PolarHBondContact O-N 2.82Å; L28-L30 HydrophobicContact CB-CD1 3.75Å; L28-L30 HydrophobicContact CB-CG 3.92Å; L28-L30 HydrophobicContact CD2-CD1 4.03Å; L28-L30 HydrophobicContact CD2-CG 4.31Å; L28-L30 HydrophobicContact CG-CD1 4.35Å; L28-L30 PolarHBondContact O-N 3.43Å; L28-V722 HydrophobicContact CD1-CG1 4.49Å; L28-V722 HydrophobicContact CD2-CG1 4.12Å; L28-V722 HydrophobicContact CG-CG1 4.42Å; L28-A725 HydrophobicContact CD1-CB 3.73Å; L28-M726 HydrophobicContact CD2-CE 3.44Å; L28-M726 VanDerWaalsContact CD2-CE 3.44Å; L28-M726 HydrophobicContact CD2-CG 4.04Å | ||
| 29 | N | 59.2 | Low | 75 | Confident | 134 Ų | 134 | 32.1 Ų | 32.1 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | trans | -64.7 | 66 | 172.9 | -74.7 | -20.3 | 0 | 0 | 0 | 110.1 | P27 K300 | P27-N29 PolarHBondContact O-N 3.4Å; N29-K300 PolarHBondContact O-NZ 3.38Å | ||
| 30 | L | 66.1 | Low | 75.9 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | trans | -109.5 | 109.5 | 179.8 | -65.5 | 173.6 | 0 | 0 | 0 | 107.4 | F21 L28 L32 L297 L301 | F21-L30 HydrophobicContact CD1-CD1 3.94Å; F21-L30 HydrophobicContact CD2-CD1 4Å; F21-L30 HydrophobicContact CE1-CD1 3.32Å; F21-L30 HydrophobicContact CE2-CD1 3.39Å; F21-L30 HydrophobicContact CG-CD1 4.27Å; F21-L30 HydrophobicContact CZ-CD1 3Å; F21-L30 HydrophobicContact CZ-CG 4.48Å; L28-L30 HydrophobicContact CB-CD1 3.75Å; L28-L30 HydrophobicContact CB-CG 3.92Å; L28-L30 HydrophobicContact CD2-CD1 4.03Å; L28-L30 HydrophobicContact CD2-CG 4.31Å; L28-L30 HydrophobicContact CG-CD1 4.35Å; L28-L30 PolarHBondContact O-N 3.43Å; L30-L32 PolarHBondContact O-N 3.48Å; L30-L297 HydrophobicContact CB-CD1 4.41Å; L30-L297 HydrophobicContact CD2-CD1 4.01Å; L30-L301 HydrophobicContact CD1-CD2 3.58Å; L30-L301 HydrophobicContact CD1-CG 4.46Å; L30-L301 HydrophobicContact CD2-CD2 3.57Å; L30-L301 HydrophobicContact CD2-CG 4Å; L30-L301 HydrophobicContact CG-CD2 4.23Å | ||
| 31 | D | 74.4 | Confident | 76.6 | Confident | 39 Ų | 39 | 35 Ų | 35 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | trans | -76.5 | 81.2 | -178.8 | -45.5 | -49.5 | 0 | 0 | 0 | 108 | Q167 N169 K300 | D31-Q167 HydrophobicContact CB-CB 4.36Å; D31-Q167 VanDerWaalsContact CG-OE1 3.28Å; D31-Q167 PolarHBondContact OD1-OE1 2.98Å; D31-N169 HydrophobicContact CB-CB 4.14Å; D31-N169 WeakPolarHBondContact O-CB 3.08Å; D31-N169 PolarHBondContact O-ND2 3.04Å; D31-K300 IonicContact OD2-NZ 3.76Å; D31-K300 PolarHBondContact OD2-NZ 2.9Å | ||
| 32 | L | 81.7 | Confident | 77.3 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | trans | -66.4 | 138.9 | 178.1 | -67.6 | -179 | 0 | 0 | 0 | 110.1 | V14 L17 Q18 F21 L30 Q34 L297 | V14-L32 HydrophobicContact CG1-CB 4.41Å; L17-L32 HydrophobicContact CB-CD1 4.46Å; L17-L32 HydrophobicContact CB-CD2 4.25Å; L17-L32 HydrophobicContact CD1-CD2 4.39Å; Q18-L32 HydrophobicContact CB-CD1 3.79Å; Q18-L32 HydrophobicContact CG-CD1 4.29Å; F21-L32 HydrophobicContact CD2-CD1 4.36Å; F21-L32 HydrophobicContact CE2-CD2 4.43Å; L30-L32 PolarHBondContact O-N 3.48Å; L32-Q34 WeakPolarHBondContact O-CG 3.27Å; L32-Q34 PolarHBondContact O-N 3.41Å; L32-L297 HydrophobicContact CD2-CD2 3.72Å | ||
| 33 | P | 84.5 | Confident | 78.2 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | trans | -63 | 119.4 | 174.2 | 24.6 | -33.7 | 0 | 0 | 0 | 111.3 | V14 N169 I290 T293 | V14-P33 HydrophobicContact CG1-CG 4.42Å; V14-P33 HydrophobicContact CG2-CG 3.93Å; P33-N169 WeakPolarHBondContact CA-O 3.27Å; P33-I290 HydrophobicContact CB-CB 4.42Å; P33-I290 HydrophobicContact CB-CG1 3.79Å; P33-I290 HydrophobicContact CG-CB 4.14Å; P33-I290 HydrophobicContact CG-CG1 3.68Å; P33-I290 HydrophobicContact CG-CG2 4.21Å; P33-T293 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 34 | Q | 88.8 | Confident | 79.4 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 167.6 | -173.2 | 64.1 | -166.9 | 13.4 | 0 | 0 | 111.8 | L32 I136 N169 C170 L171 | L32-Q34 WeakPolarHBondContact O-CG 3.27Å; L32-Q34 PolarHBondContact O-N 3.41Å; Q34-I136 HydrophobicContact CB-CD1 4.33Å; Q34-I136 HydrophobicContact CG-CD1 4.02Å; Q34-N169 PolarHBondContact N-O 3.09Å; Q34-C170 HydrophobicContact CG-CB 4.49Å; Q34-L171 PolarHBondContact O-N 2.82Å |
| 35 | I | 94.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.6 | 172.9 | -50.4 | -172.4 | 0 | 0 | 0 | 109.5 | L133 L135 I136 L171 L173 L282 L286 | I35-L133 HydrophobicContact CD1-CD1 4.15Å; I35-L135 HydrophobicContact CB-CD2 3.68Å; I35-L135 HydrophobicContact CD1-CD2 3.9Å; I35-L135 HydrophobicContact CG1-CD2 4.24Å; I35-L135 HydrophobicContact CG2-CD2 3.82Å; I35-L135 CarbonylContact O-C 3.54Å; I35-L135 WeakPolarHBondContact O-CA 3.34Å; I35-I136 PolarHBondContact O-N 3.23Å; I35-L171 CarbonylContact C-O 3.57Å; I35-L171 WeakPolarHBondContact CA-O 3.43Å; I35-L171 HydrophobicContact CD1-CD1 4.47Å; I35-L171 HydrophobicContact CG1-CB 4.13Å; I35-L171 HydrophobicContact CG1-CD1 4.21Å; I35-L173 HydrophobicContact CG2-CB 3.86Å; I35-L282 HydrophobicContact CD1-CB 3.98Å; I35-L282 HydrophobicContact CD1-CD2 4.04Å; I35-L282 HydrophobicContact CD1-CG 4.47Å; I35-L286 HydrophobicContact CD1-CB 4.1Å; I35-L286 HydrophobicContact CG1-CB 4.39Å; I35-L286 HydrophobicContact CG1-CD1 4.13Å |
| 36 | A | 95.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L138 I165 C170 L171 L173 | A36-L138 HydrophobicContact CB-CD1 3.91Å; A36-I165 HydrophobicContact CB-CG2 3.97Å; A36-C170 WeakPolarHBondContact CB-SG 3.5Å; A36-L171 PolarHBondContact N-O 2.98Å; A36-L173 PolarHBondContact O-N 3.37Å |
| 37 | V | 96.9 | Very high | 84 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.6 | 178.7 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | K45 L49 L135 I136 L138 L173 V175 | V37-K45 HydrophobicContact CG1-CB 4Å; V37-K45 HydrophobicContact CG1-CD 4.01Å; V37-K45 HydrophobicContact CG1-CG 3.89Å; V37-L49 HydrophobicContact CG2-CD2 4.28Å; V37-L135 HydrophobicContact CG2-CB 4.49Å; V37-I136 PolarHBondContact N-O 3.2Å; V37-L138 PolarHBondContact O-N 2.98Å; V37-L173 HydrophobicContact CG1-CD2 4.29Å; V37-L173 HydrophobicContact CG2-CB 4.32Å; V37-L173 HydrophobicContact CG2-CD2 3.97Å; V37-V175 HydrophobicContact CG1-CG2 3.61Å |
| 38 | V | 96.3 | Very high | 86 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.6 | -177.3 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L138 I161 I165 I172 L173 V175 A187 L190 | V38-L138 HydrophobicContact CG2-CD1 4.05Å; V38-I161 HydrophobicContact CG1-CD1 4.44Å; V38-I161 HydrophobicContact CG1-CG2 4.02Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; V38-I165 HydrophobicContact CG2-CG2 3.76Å; V38-I172 HydrophobicContact CB-CG2 4.46Å; V38-I172 HydrophobicContact CG2-CG2 4.24Å; V38-L173 PolarHBondContact N-O 3.23Å; V38-V175 PolarHBondContact O-N 3.34Å; V38-A187 HydrophobicContact CG1-CB 4.11Å; V38-L190 HydrophobicContact CG1-CD1 4.23Å |
| 39 | G | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | 148 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K45 G140 M141 V175 | G39-K45 PolarHBondContact O-NZ 3.25Å; G39-G140 WeakPolarHBondContact O-CA 3.24Å; G39-M141 PolarHBondContact O-N 2.95Å; G39-V175 WeakPolarHBondContact CA-O 3.43Å |
| 40 | S | 92.9 | Very high | 89.5 | Confident | 31 Ų | 31 | 17.6 Ų | 17.6 | 22% | 0.217 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 162.2 | 170.2 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | S42 A43 K45 | S40-S42 PolarHBondContact O-N 2.93Å; S40-A43 WeakPolarHBondContact O-CB 3.38Å; S40-A43 PolarHBondContact O-N 3.39Å; S40-A43 VanDerWaalsContact O-N 3.15Å; S40-K45 PolarHBondContact O-NZ 2.92Å |
| 41 | Q | 88.2 | Confident | 90.7 | Very high | 65 Ų | 65 | 17.3 Ų | 17.3 | 30% | 0.304 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135.3 | 170.2 | -167.9 | -169.4 | -2.7 | 0 | 0 | 109.7 | A43 G63 M141 T142 | Q41-A43 PolarHBondContact O-N 3.43Å; Q41-A43 VanDerWaalsContact O-N 3.16Å; Q41-G63 PolarHBondContact NE2-O 3.25Å; Q41-M141 PolarHBondContact N-O 2.81Å; Q41-T142 HydrophobicContact CB-CG2 4.12Å; Q41-T142 HydrophobicContact CG-CG2 4.39Å |
| 42 | S | 87.8 | Confident | 91.5 | Very high | 86 Ų | 86 | 15.7 Ų | 15.7 | 60% | 0.601 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 13.9 | -178.4 | -49.9 | 0 | 0 | 0 | 0 | 115.9 | S40 G44 K207 | S40-S42 PolarHBondContact O-N 2.93Å; S42-G44 PolarHBondContact O-N 2.72Å; S42-K207 WeakPolarHBondContact O-CE 3.1Å; S42-K207 PolarHBondContact O-NZ 2.95Å |
| 43 | A | 91 | Very high | 91.9 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -64.6 | -13.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | S40 Q41 V175 T206 | S40-A43 WeakPolarHBondContact O-CB 3.38Å; S40-A43 PolarHBondContact O-N 3.39Å; S40-A43 VanDerWaalsContact O-N 3.15Å; Q41-A43 PolarHBondContact O-N 3.43Å; Q41-A43 VanDerWaalsContact O-N 3.16Å; A43-V175 HydrophobicContact CB-CG1 4.26Å; A43-T206 WeakPolarHBondContact O-CG2 3.35Å; A43-T206 PolarHBondContact O-OG1 2.74Å |
| 44 | G | 91.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 15.7 Ų | 15.7 | 13% | 0.134 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 96.8 | 14.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | S42 S47 V48 | S42-G44 PolarHBondContact O-N 2.72Å; G44-S47 WeakPolarHBondContact O-CB 3.45Å; G44-S47 PolarHBondContact O-N 3.48Å; G44-S47 VanDerWaalsContact O-N 3.17Å; G44-V48 WeakPolarHBondContact O-CG2 3.11Å; G44-V48 PolarHBondContact O-N 3.4Å |
| 45 | K | 93.4 | Very high | 92.1 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -49.1 | -60.6 | 177.6 | -62.3 | -172.3 | -63.9 | -65.5 | 0 | 112.9 | V37 G39 S40 S47 V48 L49 L138 V175 | V37-K45 HydrophobicContact CG1-CB 4Å; V37-K45 HydrophobicContact CG1-CD 4.01Å; V37-K45 HydrophobicContact CG1-CG 3.89Å; G39-K45 PolarHBondContact O-NZ 3.25Å; S40-K45 PolarHBondContact O-NZ 2.92Å; K45-S47 PolarHBondContact O-N 3.05Å; K45-V48 WeakPolarHBondContact O-CB 3.24Å; K45-V48 PolarHBondContact O-N 3.26Å; K45-L49 PolarHBondContact O-N 2.97Å; K45-L49 VanDerWaalsContact O-N 3.11Å; K45-L138 WeakPolarHBondContact CE-O 3.17Å; K45-V175 HydrophobicContact CG-CB 4.08Å; K45-V175 HydrophobicContact CG-CG1 4.41Å; K45-V175 HydrophobicContact CG-CG2 4.15Å |
| 46 | S | 91.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 21.7 Ų | 21.7 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -34.9 | -179.7 | -46.9 | 0 | 0 | 0 | 0 | 112 | L49 E50 L58 D137 | S46-L49 PolarHBondContact O-N 3.11Å; S46-E50 WeakPolarHBondContact O-CG 3.19Å; S46-E50 PolarHBondContact O-N 3.22Å; S46-L58 VanDerWaalsContact CB-CD1 3.5Å; S46-D137 PolarHBondContact OG-OD2 3.27Å |
| 47 | S | 91.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.6 | -35 | 176.1 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | G44 K45 L49 N51 | G44-S47 WeakPolarHBondContact O-CB 3.45Å; G44-S47 PolarHBondContact O-N 3.48Å; G44-S47 VanDerWaalsContact O-N 3.17Å; K45-S47 PolarHBondContact O-N 3.05Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-N51 WeakPolarHBondContact O-CB 3.43Å; S47-N51 PolarHBondContact O-N 3.45Å |
| 48 | V | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 171.8 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | G44 K45 N51 F52 V204 T206 V235 L278 | G44-V48 WeakPolarHBondContact O-CG2 3.11Å; G44-V48 PolarHBondContact O-N 3.4Å; K45-V48 WeakPolarHBondContact O-CB 3.24Å; K45-V48 PolarHBondContact O-N 3.26Å; V48-N51 WeakPolarHBondContact O-CB 3.27Å; V48-N51 PolarHBondContact O-N 2.99Å; V48-F52 HydrophobicContact CG1-CE1 4.06Å; V48-F52 HydrophobicContact CG1-CE2 3.92Å; V48-F52 HydrophobicContact CG1-CZ 3.58Å; V48-F52 PolarHBondContact O-N 3.16Å; V48-F52 VanDerWaalsContact O-N 3.12Å; V48-V204 HydrophobicContact CG2-CG1 4.46Å; V48-T206 HydrophobicContact CG2-CG2 4.07Å; V48-V235 HydrophobicContact CG2-CG2 4Å; V48-L278 HydrophobicContact CG1-CD2 3.89Å |
| 49 | L | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 179 | -62.1 | 178.3 | 0 | 0 | 0 | 112.8 | V37 K45 S46 S47 N51 F52 V53 L58 L72 L135 D137 | V37-L49 HydrophobicContact CG2-CD2 4.28Å; K45-L49 PolarHBondContact O-N 2.97Å; K45-L49 VanDerWaalsContact O-N 3.11Å; S46-L49 PolarHBondContact O-N 3.11Å; S47-L49 VanDerWaalsContact C-N 3.34Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 2.87Å; L49-F52 HydrophobicContact CD2-CD2 4.39Å; L49-F52 WeakPolarHBondContact O-CB 3.14Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-F52 VanDerWaalsContact O-N 3.14Å; L49-V53 PolarHBondContact O-N 3.27Å; L49-V53 VanDerWaalsContact O-N 3.13Å; L49-L58 HydrophobicContact CB-CD1 4.05Å; L49-L58 HydrophobicContact CD1-CD1 4.25Å; L49-L72 HydrophobicContact CB-CD2 4.3Å; L49-L72 HydrophobicContact CD2-CD2 4.33Å; L49-L135 HydrophobicContact CD2-CB 4.14Å; L49-L135 HydrophobicContact CD2-CD1 3.36Å; L49-L135 HydrophobicContact CD2-CG 4.37Å; L49-D137 HydrophobicContact CD1-CB 3.42Å; L49-D137 VanDerWaalsContact CD1-CB 3.42Å; L49-D137 VanDerWaalsContact CD1-CG 3.45Å |
| 50 | E | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -34.7 | 174.4 | -72.9 | 172 | 136.3 | 0 | 0 | 112.1 | S46 F52 V53 G54 R55 F57 L58 R60 | S46-E50 WeakPolarHBondContact O-CG 3.19Å; S46-E50 PolarHBondContact O-N 3.22Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.47Å; E50-V53 PolarHBondContact O-N 2.88Å; E50-G54 WeakPolarHBondContact O-CA 3.45Å; E50-G54 PolarHBondContact O-N 2.82Å; E50-R55 WeakPolarHBondContact CB-O 3.28Å; E50-R55 PolarHBondContact O-N 2.93Å; E50-F57 HydrophobicContact CG-CD1 3.95Å; E50-F57 HydrophobicContact CG-CE1 3.92Å; E50-F57 PolarHBondContact OE1-N 3.27Å; E50-L58 HydrophobicContact CG-CB 4.28Å; E50-L58 HydrophobicContact CG-CD1 4.12Å; E50-L58 HydrophobicContact CG-CG 4.18Å; E50-L58 PolarHBondContact OE1-N 3.41Å; E50-R60 VanDerWaalsContact CD-NH2 3.29Å; E50-R60 IonicContact OE1-CZ 3.04Å; E50-R60 IonicContact OE1-NE 3.57Å; E50-R60 IonicContact OE1-NH2 3.65Å; E50-R60 PolarHBondContact OE1-NH2 2.71Å; E50-R60 IonicContact OE2-CZ 3.44Å; E50-R60 VanDerWaalsContact OE2-CZ 3.24Å; E50-R60 IonicContact OE2-NH1 3.26Å; E50-R60 IonicContact OE2-NH2 2.89Å; E50-R60 PolarHBondContact OE2-NH2 2.71Å |
| 51 | N | 90.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.059 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 173.8 | -87.7 | 3.4 | 0 | 0 | 0 | 112.5 | S47 V48 L49 N237 I249 T275 | S47-N51 WeakPolarHBondContact O-CB 3.43Å; S47-N51 PolarHBondContact O-N 3.45Å; V48-N51 WeakPolarHBondContact O-CB 3.27Å; V48-N51 PolarHBondContact O-N 2.99Å; L49-N51 VanDerWaalsContact C-N 3.27Å; L49-N51 PolarHBondContact O-N 2.87Å; N51-N237 PolarHBondContact ND2-OD1 2.7Å; N51-I249 WeakPolarHBondContact OD1-CD1 3.42Å; N51-T275 HydrophobicContact CB-CG2 3.82Å |
| 52 | F | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | 173.8 | -64.4 | -21 | 0 | 0 | 0 | 112.9 | V48 L49 E50 L74 V130 L133 L135 T275 L278 Q279 L282 | V48-F52 HydrophobicContact CG1-CE1 4.06Å; V48-F52 HydrophobicContact CG1-CE2 3.92Å; V48-F52 HydrophobicContact CG1-CZ 3.58Å; V48-F52 PolarHBondContact O-N 3.16Å; V48-F52 VanDerWaalsContact O-N 3.12Å; L49-F52 HydrophobicContact CD2-CD2 4.39Å; L49-F52 WeakPolarHBondContact O-CB 3.14Å; L49-F52 PolarHBondContact O-N 3.38Å; L49-F52 VanDerWaalsContact O-N 3.14Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.47Å; F52-L74 HydrophobicContact CB-CD1 3.92Å; F52-V130 WeakPolarHBondContact O-CG1 3.19Å; F52-L133 HydrophobicContact CD2-CD2 4.43Å; F52-L133 HydrophobicContact CE2-CD2 4.47Å; F52-L135 HydrophobicContact CD2-CD1 3.52Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; F52-T275 HydrophobicContact CD1-CG2 3.65Å; F52-T275 HydrophobicContact CE1-CG2 3.85Å; F52-L278 HydrophobicContact CE1-CB 4.31Å; F52-L278 HydrophobicContact CE1-CD2 3.95Å; F52-L278 HydrophobicContact CE1-CG 4.05Å; F52-L278 HydrophobicContact CZ-CB 4.44Å; F52-L278 HydrophobicContact CZ-CD2 3.58Å; F52-L278 HydrophobicContact CZ-CG 3.7Å; F52-Q279 HydrophobicContact CD1-CB 4.03Å; F52-Q279 HydrophobicContact CD1-CG 4.26Å; F52-Q279 HydrophobicContact CE1-CB 4.04Å; F52-L282 HydrophobicContact CE2-CD1 3.76Å; F52-L282 HydrophobicContact CZ-CD1 3.72Å |
| 53 | V | 90.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.5 | -33.3 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L49 E50 R55 F57 L72 L74 F95 V125 | L49-V53 PolarHBondContact O-N 3.27Å; L49-V53 VanDerWaalsContact O-N 3.13Å; E50-V53 PolarHBondContact O-N 2.88Å; V53-R55 VanDerWaalsContact C-N 3.34Å; V53-R55 HydrophobicContact CG1-CB 4.03Å; V53-R55 HydrophobicContact CG1-CG 4.31Å; V53-F57 HydrophobicContact CB-CD1 4.23Å; V53-F57 HydrophobicContact CB-CE1 3.91Å; V53-F57 HydrophobicContact CG1-CD1 4.2Å; V53-F57 HydrophobicContact CG1-CE1 4.31Å; V53-F57 HydrophobicContact CG2-CD1 4.24Å; V53-F57 HydrophobicContact CG2-CE1 3.54Å; V53-F57 HydrophobicContact CG2-CZ 4.08Å; V53-L72 HydrophobicContact CG2-CD2 4.26Å; V53-L74 HydrophobicContact CG2-CD2 3.56Å; V53-F95 HydrophobicContact CG1-CD1 4.43Å; V53-F95 HydrophobicContact CG1-CE1 3.71Å; V53-F95 HydrophobicContact CG1-CZ 4.17Å; V53-V125 HydrophobicContact CG1-CG1 4.01Å |
| 54 | G | 87.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 19% | 0.186 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 14.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E50 | E50-G54 WeakPolarHBondContact O-CA 3.45Å; E50-G54 PolarHBondContact O-N 2.82Å |
| 55 | R | 88 | Confident | 87.3 | Confident | 122 Ų | 122 | 28.4 Ų | 28.4 | 46% | 0.46 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -136.8 | 152.1 | 179.3 | -58.7 | -67.5 | -169.4 | 172.5 | 5.2 | 110.2 | E50 V53 E80 F95 | E50-R55 WeakPolarHBondContact CB-O 3.28Å; E50-R55 PolarHBondContact O-N 2.93Å; V53-R55 VanDerWaalsContact C-N 3.34Å; V53-R55 HydrophobicContact CG1-CB 4.03Å; V53-R55 HydrophobicContact CG1-CG 4.31Å; R55-E80 IonicContact CZ-OE2 3.61Å; R55-E80 IonicContact NE-OE2 3.47Å; R55-E80 PolarHBondContact NE-OE2 3.18Å; R55-E80 IonicContact NH2-OE2 3.59Å; R55-E80 PolarHBondContact NH2-OE2 2.82Å; R55-F95 HydrophobicContact CB-CB 4.16Å; R55-F95 HydrophobicContact CB-CD1 3.93Å; R55-F95 HydrophobicContact CB-CD2 4.02Å; R55-F95 HydrophobicContact CB-CE1 4.27Å; R55-F95 HydrophobicContact CB-CE2 4.37Å; R55-F95 HydrophobicContact CB-CG 3.76Å; R55-F95 HydrophobicContact CB-CZ 4.47Å; R55-F95 HydrophobicContact CG-CD1 4.39Å; R55-F95 HydrophobicContact CG-CD2 3.77Å; R55-F95 HydrophobicContact CG-CE1 4.39Å; R55-F95 HydrophobicContact CG-CE2 3.8Å; R55-F95 HydrophobicContact CG-CG 4.06Å; R55-F95 HydrophobicContact CG-CZ 4.1Å |
| 56 | D | 88.2 | Confident | 87.1 | Confident | 31 Ų | 31 | 29 Ų | 29 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | trans | -85.7 | 109.7 | 171.6 | -65.6 | -66.1 | 0 | 0 | 0 | 109.5 | R60 R99 R238 | D56-R60 IonicContact OD1-CZ 3.23Å; D56-R60 IonicContact OD1-NH2 2.69Å; D56-R60 PolarHBondContact OD1-NH2 2.95Å; D56-R99 PolarHBondContact O-NH2 2.87Å; D56-R238 VanDerWaalsContact CG-NH2 3.26Å; D56-R238 IonicContact OD1-CZ 3.73Å; D56-R238 IonicContact OD1-NH1 3.48Å; D56-R238 IonicContact OD1-NH2 2.71Å; D56-R238 PolarHBondContact OD1-NH2 2.99Å; D56-R238 IonicContact OD2-CZ 2.59Å; D56-R238 IonicContact OD2-NH1 2.99Å; D56-R238 PolarHBondContact OD2-NH1 3.21Å; D56-R238 IonicContact OD2-NH2 3.27Å; D56-R238 PolarHBondContact OD2-NH2 2.82Å | ||
| 57 | F | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -137.3 | -11.4 | -174.8 | 77.1 | -86.1 | 0 | 0 | 0 | 113.1 | E50 V53 L70 L72 F95 V98 R99 I102 L123 | E50-F57 HydrophobicContact CG-CD1 3.95Å; E50-F57 HydrophobicContact CG-CE1 3.92Å; E50-F57 PolarHBondContact OE1-N 3.27Å; V53-F57 HydrophobicContact CB-CD1 4.23Å; V53-F57 HydrophobicContact CB-CE1 3.91Å; V53-F57 HydrophobicContact CG1-CD1 4.2Å; V53-F57 HydrophobicContact CG1-CE1 4.31Å; V53-F57 HydrophobicContact CG2-CD1 4.24Å; V53-F57 HydrophobicContact CG2-CE1 3.54Å; V53-F57 HydrophobicContact CG2-CZ 4.08Å; F57-L70 HydrophobicContact CE2-CD2 4.24Å; F57-L72 HydrophobicContact CE2-CD1 4.21Å; F57-L72 HydrophobicContact CZ-CD1 4.04Å; F57-L72 HydrophobicContact CZ-CD2 3.93Å; F57-F95 HydrophobicContact CB-CB 4.07Å; F57-F95 HydrophobicContact CB-CD1 3.65Å; F57-F95 HydrophobicContact CB-CG 4.35Å; F57-F95 HydrophobicContact CG-CD1 4.29Å; F57-V98 HydrophobicContact CB-CB 4.49Å; F57-V98 HydrophobicContact CB-CG1 4.24Å; F57-V98 HydrophobicContact CD2-CG1 4.11Å; F57-R99 WeakPolarHBondContact O-CA 3.36Å; F57-R99 VanDerWaalsContact O-CB 3.27Å; F57-R99 WeakPolarHBondContact O-CB 3.45Å; F57-I102 HydrophobicContact CD2-CD1 4.05Å; F57-I102 HydrophobicContact CE2-CD1 4.42Å; F57-L123 HydrophobicContact CD2-CD2 3.85Å; F57-L123 HydrophobicContact CE2-CD2 3.62Å | ||
| 58 | L | 91.6 | Very high | 87.1 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -89.6 | 141.8 | 178.4 | -67.1 | 175.5 | 0 | 0 | 0 | 109.4 | S46 L49 E50 L70 I102 | S46-L58 VanDerWaalsContact CB-CD1 3.5Å; L49-L58 HydrophobicContact CB-CD1 4.05Å; L49-L58 HydrophobicContact CD1-CD1 4.25Å; E50-L58 HydrophobicContact CG-CB 4.28Å; E50-L58 HydrophobicContact CG-CD1 4.12Å; E50-L58 HydrophobicContact CG-CG 4.18Å; E50-L58 PolarHBondContact OE1-N 3.41Å; L58-L70 HydrophobicContact CD2-CD2 3.38Å; L58-I102 HydrophobicContact CD2-CD1 4.07Å |
| 59 | P | 88.1 | Confident | 87.1 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | trans | -55.7 | 152.2 | 173.9 | -30 | 40.9 | 0 | 0 | 0 | 111.3 | V65 R99 I102 E103 | P59-V65 VanDerWaalsContact C-CG1 3.41Å; P59-V65 HydrophobicContact CB-CG1 3.51Å; P59-V65 WeakPolarHBondContact O-CG1 3.44Å; P59-R99 HydrophobicContact CG-CG 4.13Å; P59-I102 HydrophobicContact CG-CB 4.22Å; P59-I102 HydrophobicContact CG-CG2 3.91Å; P59-E103 HydrophobicContact CB-CG 3.73Å; P59-E103 VanDerWaalsContact CB-OE1 3.24Å; P59-E103 WeakPolarHBondContact CB-OE1 3.4Å; P59-E103 HydrophobicContact CG-CG 3.41Å; P59-E103 VanDerWaalsContact CG-CG 3.41Å | ||
| 60 | R | 82.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 28.6 Ų | 28.6 | 28% | 0.279 | 17% | 0.168 | S | C | . | . | trans | -135.2 | 136.9 | 177.5 | -63.1 | -177.2 | -174.5 | -93.1 | 8.2 | 109.7 | E50 D56 I243 | E50-R60 VanDerWaalsContact CD-NH2 3.29Å; E50-R60 IonicContact OE1-CZ 3.04Å; E50-R60 IonicContact OE1-NE 3.57Å; E50-R60 IonicContact OE1-NH2 3.65Å; E50-R60 PolarHBondContact OE1-NH2 2.71Å; E50-R60 IonicContact OE2-CZ 3.44Å; E50-R60 VanDerWaalsContact OE2-CZ 3.24Å; E50-R60 IonicContact OE2-NH1 3.26Å; E50-R60 IonicContact OE2-NH2 2.89Å; E50-R60 PolarHBondContact OE2-NH2 2.71Å; D56-R60 IonicContact OD1-CZ 3.23Å; D56-R60 IonicContact OD1-NH2 2.69Å; D56-R60 PolarHBondContact OD1-NH2 2.95Å; R60-I243 VanDerWaalsContact CZ-CD1 3.42Å; R60-I243 VanDerWaalsContact NH1-CD1 3.3Å; R60-I243 VanDerWaalsContact NH2-CD1 3.33Å | ||
| 61 | G | 78.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 28.7 Ų | 28.7 | 60% | 0.598 | 17% | 0.169 | S | C | * | . | trans | 178.8 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V65 | G61-V65 WeakPolarHBondContact O-CG2 3.41Š| ||
| 62 | S | 73.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 28.2 Ų | 28.2 | 77% | 0.769 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -81.8 | 131.4 | 172.9 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 63 | G | 74.8 | Confident | 87.4 | Confident | 12 Ų | 12 | 28.1 Ų | 28.1 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 101.5 | -163.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q41 V65 | Q41-G63 PolarHBondContact NE2-O 3.25Å; G63-V65 PolarHBondContact O-N 3.33Å |
| 64 | I | 75.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | trans | -74.7 | 107.3 | 176.1 | -58.1 | -178.6 | 0 | 0 | 0 | 108.4 | T66 R67 P139 T142 I153 I157 | I64-T66 WeakPolarHBondContact CG2-O 3.33Å; I64-R67 HydrophobicContact CG2-CG 4.05Å; I64-P139 HydrophobicContact CG2-CB 4.49Å; I64-T142 HydrophobicContact CD1-CG2 3.6Å; I64-T142 HydrophobicContact CG1-CG2 3.41Å; I64-T142 VanDerWaalsContact CG1-CG2 3.41Å; I64-I153 HydrophobicContact CD1-CD1 4.45Å; I64-I153 HydrophobicContact CD1-CG1 4.02Å; I64-I157 HydrophobicContact CD1-CD1 3.36Å; I64-I157 HydrophobicContact CD1-CG1 4.39Å | ||
| 65 | V | 83.9 | Confident | 87.6 | Confident | 48 Ų | 48 | 29 Ų | 29 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | trans | -85.3 | -48.9 | 179 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | P59 G61 G63 R67 | P59-V65 VanDerWaalsContact C-CG1 3.41Å; P59-V65 HydrophobicContact CB-CG1 3.51Å; P59-V65 WeakPolarHBondContact O-CG1 3.44Å; G61-V65 WeakPolarHBondContact O-CG2 3.41Å; G63-V65 PolarHBondContact O-N 3.33Å; V65-R67 PolarHBondContact O-N 3.48Å | ||
| 66 | T | 89.6 | Confident | 87.7 | Confident | 25 Ų | 25 | 27.1 Ų | 27.1 | 15% | 0.153 | 17% | 0.165 | C | C | . | . | trans | -77.8 | 97.2 | 171.6 | -48 | 0 | 0 | 0 | 0 | 109.5 | I64 R68 D137 P139 | I64-T66 WeakPolarHBondContact CG2-O 3.33Å; T66-R68 WeakPolarHBondContact CG2-O 3.15Å; T66-D137 PolarHBondContact OG1-OD2 2.87Å; T66-P139 WeakPolarHBondContact O-CA 3.44Å; T66-P139 WeakPolarHBondContact O-CB 3.23Å; T66-P139 VanDerWaalsContact O-CG 3.32Å; T66-P139 WeakPolarHBondContact O-CG 3.18Å | ||
| 67 | R | 89.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 11% | 0.109 | 17% | 0.167 | C | C | . | . | trans | -98.1 | -11.7 | -179.8 | -67.9 | -177.5 | -70.6 | 161.7 | -2.8 | 114.3 | I64 V65 T106 D107 T110 G111 N113 G115 I116 S117 | I64-R67 HydrophobicContact CG2-CG 4.05Å; V65-R67 PolarHBondContact O-N 3.48Å; R67-T106 HydrophobicContact CB-CG2 3.82Å; R67-D107 IonicContact CZ-OD1 2.78Å; R67-D107 IonicContact NH1-OD1 3.87Å; R67-D107 PolarHBondContact NH1-OD1 2.83Å; R67-D107 IonicContact NH2-OD1 2.58Å; R67-D107 PolarHBondContact NH2-OD1 3.45Å; R67-T110 PolarHBondContact NH1-OG1 3.27Å; R67-G111 PolarHBondContact NH1-O 3.38Å; R67-N113 PolarHBondContact NH1-O 2.92Å; R67-G115 VanDerWaalsContact CD-O 3.29Å; R67-G115 WeakPolarHBondContact CD-O 3.47Å; R67-I116 HydrophobicContact CB-CG2 4.39Å; R67-I116 VanDerWaalsContact O-CA 3.25Å; R67-I116 WeakPolarHBondContact O-CA 3.19Å; R67-I116 WeakPolarHBondContact O-CB 3.32Å; R67-S117 PolarHBondContact O-N 2.71Å; R67-S117 VanDerWaalsContact O-N 3.1Å | ||
| 68 | R | 92.2 | Very high | 87.7 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.045 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -131.2 | 147.9 | 175.9 | -69.9 | 172.3 | 66 | -176.8 | -5 | 108.5 | T66 L70 E105 T106 T110 T119 P120 I121 | T66-R68 WeakPolarHBondContact CG2-O 3.15Å; R68-L70 PolarHBondContact O-N 3.03Å; R68-E105 IonicContact CZ-OE1 3.85Å; R68-E105 PolarHBondContact NH1-O 3.28Å; R68-E105 IonicContact NH1-OE1 2.72Å; R68-E105 PolarHBondContact NH1-OE1 3.01Å; R68-E105 IonicContact NH2-OE1 2.72Å; R68-T106 HydrophobicContact CG-CG2 4.28Å; R68-T110 HydrophobicContact CG-CG2 4.39Å; R68-T119 PolarHBondContact NE-O 3.42Å; R68-T119 PolarHBondContact NH2-O 3.28Å; R68-T119 VanDerWaalsContact NH2-O 3.16Å; R68-P120 PolarHBondContact NH2-O 2.59Å; R68-P120 VanDerWaalsContact NH2-O 3.13Å; R68-I121 HydrophobicContact CB-CD1 4.39Å; R68-I121 HydrophobicContact CB-CG1 4.41Å |
| 69 | P | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -55.7 | 131.9 | 168.8 | -24.9 | 34.8 | 0 | 0 | 0 | 110.9 | S117 P120 I121 I136 D137 L138 M160 F164 | P69-S117 WeakPolarHBondContact CD-O 3.16Å; P69-P120 HydrophobicContact CB-CB 4.19Å; P69-P120 CarbonylContact O-C 3.34Å; P69-P120 WeakPolarHBondContact O-CA 3.22Å; P69-I121 PolarHBondContact O-N 3.32Å; P69-I136 HydrophobicContact CB-CG2 4.21Å; P69-D137 WeakPolarHBondContact CA-O 3.5Å; P69-L138 HydrophobicContact CB-CD2 3.94Å; P69-L138 HydrophobicContact CG-CD2 4.1Å; P69-M160 HydrophobicContact CG-CG 4.38Å; P69-M160 HydrophobicContact CG-SD 3.83Å; P69-F164 HydrophobicContact CB-CE2 4.25Å; P69-F164 HydrophobicContact CB-CZ 3.9Å; P69-F164 HydrophobicContact CG-CE2 3.74Å; P69-F164 HydrophobicContact CG-CZ 3.76Å | ||
| 70 | L | 94.1 | Very high | 88 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 109.7 | 174.8 | 178.2 | 71.4 | 0 | 0 | 0 | 109.4 | F57 L58 R68 L72 I102 I121 L123 I136 D137 | F57-L70 HydrophobicContact CE2-CD2 4.24Å; L58-L70 HydrophobicContact CD2-CD2 3.38Å; R68-L70 PolarHBondContact O-N 3.03Å; L70-L72 PolarHBondContact O-N 3.08Å; L70-I102 HydrophobicContact CD2-CD1 4.46Å; L70-I121 HydrophobicContact CD1-CB 3.89Å; L70-I121 HydrophobicContact CD1-CG2 3.84Å; L70-L123 HydrophobicContact CD1-CB 3.99Å; L70-L123 HydrophobicContact CD1-CD2 4.47Å; L70-I136 CarbonylContact O-C 3.49Å; L70-I136 WeakPolarHBondContact O-CA 3.21Å; L70-D137 HydrophobicContact CB-CB 4.14Å; L70-D137 PolarHBondContact N-O 2.78Å; L70-D137 PolarHBondContact O-N 3.11Å |
| 71 | V | 92.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 105.2 | 170.8 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | Q18 Q73 P120 I121 N122 L123 T134 I136 | Q18-V71 VanDerWaalsContact NE2-CG1 3.32Å; V71-Q73 HydrophobicContact CG1-CG 4.4Å; V71-P120 HydrophobicContact CG2-CB 3.96Å; V71-I121 PolarHBondContact N-O 2.75Å; V71-N122 WeakPolarHBondContact CB-OD1 3.12Å; V71-L123 PolarHBondContact O-N 2.85Å; V71-T134 HydrophobicContact CG1-CG2 4.15Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.25Å |
| 72 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.7 | 179.1 | -179.7 | 65.7 | 0 | 0 | 0 | 110.1 | L49 V53 F57 L70 L74 L123 V125 T134 L135 | L49-L72 HydrophobicContact CB-CD2 4.3Å; L49-L72 HydrophobicContact CD2-CD2 4.33Å; V53-L72 HydrophobicContact CG2-CD2 4.26Å; F57-L72 HydrophobicContact CE2-CD1 4.21Å; F57-L72 HydrophobicContact CZ-CD1 4.04Å; F57-L72 HydrophobicContact CZ-CD2 3.93Å; L70-L72 PolarHBondContact O-N 3.08Å; L72-L74 HydrophobicContact CD1-CD2 3.93Å; L72-L74 HydrophobicContact CD2-CD2 3.99Å; L72-L74 HydrophobicContact CD2-CG 4.47Å; L72-L74 HydrophobicContact CG-CD2 3.78Å; L72-L74 HydrophobicContact CG-CG 4.28Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.12Å; L72-V125 HydrophobicContact CD1-CG2 3.81Å; L72-T134 WeakPolarHBondContact O-CA 3.34Å; L72-L135 PolarHBondContact N-O 3.38Å; L72-L135 PolarHBondContact O-N 3.14Å |
| 73 | Q | 92.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.2 | 174.7 | -68 | 177.9 | -3.7 | 0 | 0 | 109.4 | Q18 V71 L123 R124 V125 T134 | Q18-Q73 VanDerWaalsContact OE1-NE2 3.14Å; V71-Q73 HydrophobicContact CG1-CG 4.4Å; Q73-L123 PolarHBondContact N-O 3.46Å; Q73-R124 HydrophobicContact CB-CG 4.02Å; Q73-R124 CarbonylContact O-C 3.55Å; Q73-R124 WeakPolarHBondContact O-CA 3.45Å; Q73-R124 VanDerWaalsContact OE1-CG 3.29Å; Q73-V125 PolarHBondContact O-N 3.26Å; Q73-T134 HydrophobicContact CG-CG2 3.85Å |
| 74 | L | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.1 | 172.7 | -54.3 | -175.1 | 0 | 0 | 0 | 108.9 | F52 V53 L72 V125 V130 L131 N132 L133 | F52-L74 HydrophobicContact CB-CD1 3.92Å; V53-L74 HydrophobicContact CG2-CD2 3.56Å; L72-L74 HydrophobicContact CD1-CD2 3.93Å; L72-L74 HydrophobicContact CD2-CD2 3.99Å; L72-L74 HydrophobicContact CD2-CG 4.47Å; L72-L74 HydrophobicContact CG-CD2 3.78Å; L72-L74 HydrophobicContact CG-CG 4.28Å; L74-V125 HydrophobicContact CD2-CB 3.93Å; L74-V125 HydrophobicContact CD2-CG2 4.37Å; L74-V130 HydrophobicContact CB-CB 4.19Å; L74-V130 HydrophobicContact CB-CG2 4.05Å; L74-V130 HydrophobicContact CD1-CB 4.49Å; L74-L131 WeakPolarHBondContact CB-O 3.41Å; L74-N132 CarbonylContact O-C 3.58Å; L74-N132 VanDerWaalsContact O-CA 3.25Å; L74-N132 WeakPolarHBondContact O-CA 3.43Å; L74-L133 HydrophobicContact CB-CB 4.37Å; L74-L133 WeakPolarHBondContact CB-O 3.21Å; L74-L133 HydrophobicContact CD1-CB 4.47Å; L74-L133 PolarHBondContact N-O 3.06Å; L74-L133 PolarHBondContact O-N 2.93Å |
| 75 | I | 91 | Very high | 91.6 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.4 | -177.5 | -57.8 | 171.3 | 0 | 0 | 0 | 108.5 | S77 R124 V125 Y126 S127 V130 N132 | I75-S77 PolarHBondContact O-N 2.86Å; I75-R124 HydrophobicContact CD1-CG 4.45Å; I75-V125 PolarHBondContact N-O 3.36Å; I75-Y126 HydrophobicContact CB-CD1 3.87Å; I75-Y126 HydrophobicContact CB-CE1 4.06Å; I75-Y126 HydrophobicContact CD1-CD1 4.24Å; I75-Y126 HydrophobicContact CD1-CE1 3.59Å; I75-Y126 HydrophobicContact CG1-CE1 4.42Å; I75-Y126 HydrophobicContact CG2-CD1 3.84Å; I75-Y126 HydrophobicContact CG2-CE1 3.91Å; I75-Y126 WeakPolarHBondContact O-CA 3.22Å; I75-S127 PolarHBondContact O-N 3.37Å; I75-V130 WeakPolarHBondContact O-CG2 3.29Å; I75-N132 WeakPolarHBondContact CA-OD1 3.22Å |
| 76 | N | 90.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 118.3 | 174 | -168.2 | -57.7 | 0 | 0 | 0 | 109.3 | S127 V130 N132 | N76-S127 WeakPolarHBondContact CA-O 3.45Å; N76-V130 WeakPolarHBondContact CB-O 3.19Å; N76-V130 PolarHBondContact ND2-O 2.97Å; N76-N132 PolarHBondContact N-OD1 2.95Å |
| 77 | S | 90.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | trans | -147.4 | 154.8 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | I75 N79 S127 P128 | I75-S77 PolarHBondContact O-N 2.86Å; S77-N79 PolarHBondContact O-N 3.41Å; S77-S127 PolarHBondContact N-O 2.75Å; S77-S127 VanDerWaalsContact N-O 3.08Å; S77-S127 CarbonylContact O-C 3.09Å; S77-P128 WeakPolarHBondContact O-CA 3.44Å; S77-P128 WeakPolarHBondContact O-CB 3.43Å; S77-P128 VanDerWaalsContact O-CD 3.28Å; S77-P128 WeakPolarHBondContact O-CD 3.32Å | ||
| 78 | R | 90.9 | Very high | 91 | Very high | 238 Ų | 238 | 46 Ų | 46 | 90% | 0.898 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -66.9 | -28.8 | 177.2 | -64.8 | -176.7 | -179 | -178.5 | 0.6 | 112.9 | ||
| 79 | N | 92.2 | Very high | 90.5 | Very high | 111 Ų | 111 | 52.8 Ų | 52.8 | 59% | 0.594 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -105.7 | 139.6 | -176.7 | -62 | -21 | 0 | 0 | 0 | 110 | S77 Y81 Y126 | S77-N79 PolarHBondContact O-N 3.41Å; N79-Y81 HydrophobicContact CB-CD1 4.12Å; N79-Y81 HydrophobicContact CB-CE1 4.22Å; N79-Y126 CarbonylContact O-C 3.46Å |
| 80 | E | 92.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | trans | -97.3 | 112.8 | 178.1 | -174 | 165.1 | -101.8 | 0 | 0 | 111 | R55 F95 Y126 S127 | R55-E80 IonicContact CZ-OE2 3.61Å; R55-E80 IonicContact NE-OE2 3.47Å; R55-E80 PolarHBondContact NE-OE2 3.18Å; R55-E80 IonicContact NH2-OE2 3.59Å; R55-E80 PolarHBondContact NH2-OE2 2.82Å; E80-F95 HydrophobicContact CG-CE2 3.98Å; E80-F95 HydrophobicContact CG-CZ 4.27Å; E80-Y126 CarbonylContact C-O 3.58Å; E80-Y126 WeakPolarHBondContact CA-O 3.36Å; E80-S127 PolarHBondContact OE1-OG 3.21Å | ||
| 81 | Y | 94.5 | Very high | 90.3 | Very high | 37 Ų | 37 | 63 Ų | 63 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 164.6 | 176 | 66.9 | -81.8 | 0 | 0 | 0 | 110.7 | N79 Q91 F92 Y126 | N79-Y81 HydrophobicContact CB-CD1 4.12Å; N79-Y81 HydrophobicContact CB-CE1 4.22Å; Y81-Q91 HydrophobicContact CD2-CB 4.04Å; Y81-Q91 HydrophobicContact CD2-CG 3.74Å; Y81-Q91 HydrophobicContact CE2-CG 3.93Å; Y81-F92 CarbonylContact C-O 3.46Å; Y81-F92 WeakPolarHBondContact CA-O 3.18Å; Y81-Y126 HydrophobicContact CD1-CD2 4.38Å; Y81-Y126 HydrophobicContact CD1-CG 4.3Å; Y81-Y126 AromaticContact CD2-CD2 3.76Å; Y81-Y126 HydrophobicContact CD2-CD2 3.76Å; Y81-Y126 HydrophobicContact CD2-CE2 4.39Å; Y81-Y126 HydrophobicContact CD2-CG 4.47Å; Y81-Y126 HydrophobicContact CE1-CD1 4.37Å; Y81-Y126 AromaticContact CE1-CD2 3.91Å; Y81-Y126 HydrophobicContact CE1-CD2 3.91Å; Y81-Y126 AromaticContact CE1-CG 3.69Å; Y81-Y126 HydrophobicContact CE1-CG 3.69Å; Y81-Y126 AromaticContact CE2-CD2 3.22Å; Y81-Y126 HydrophobicContact CE2-CD2 3.22Å; Y81-Y126 AromaticContact CE2-CE2 3.56Å; Y81-Y126 HydrophobicContact CE2-CE2 3.56Å; Y81-Y126 AromaticContact CE2-CG 3.9Å; Y81-Y126 HydrophobicContact CE2-CG 3.9Å; Y81-Y126 HydrophobicContact CG-CD2 4.31Å; Y81-Y126 AromaticContact CZ-CD2 3.3Å; Y81-Y126 AromaticContact CZ-CE2 3.77Å; Y81-Y126 AromaticContact CZ-CG 3.47Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.47Å; Y81-Y126 PolarHBondContact N-O 3.32Å; Y81-Y126 PolarHBondContact O-N 3.34Å |
| 82 | A | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 153.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F92 V98 L123 R124 V125 | A82-F92 HydrophobicContact CB-CB 4.34Å; A82-F92 PolarHBondContact N-O 3.47Å; A82-F92 PolarHBondContact O-N 2.84Å; A82-V98 HydrophobicContact CB-CG2 3.67Å; A82-L123 HydrophobicContact CB-CD1 3.96Å; A82-R124 CarbonylContact C-O 3.5Å; A82-R124 WeakPolarHBondContact CA-O 3.19Å; A82-R124 WeakPolarHBondContact CB-O 3.36Å; A82-V125 HydrophobicContact CB-CG2 4.33Å |
| 83 | E | 93.5 | Very high | 90.3 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.1 | 176.7 | -176 | 176.9 | -164.6 | 0 | 0 | 109.9 | R124 | E83-R124 PolarHBondContact N-O 3.48Å; E83-R124 PolarHBondContact O-N 3.33Å |
| 84 | F | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139 | 171.5 | -69 | -86.7 | 0 | 0 | 0 | 110.6 | H86 C87 F92 V98 E101 I102 I121 N122 L123 | F84-H86 VanDerWaalsContact CB-CE1 3.4Å; F84-H86 WeakPolarHBondContact CB-CE1 3.18Å; F84-H86 WeakPolarHBondContact CB-ND1 3.28Å; F84-H86 AromaticContact CD1-CE1 3.45Å; F84-H86 VanDerWaalsContact CD1-CE1 3.45Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.47Å; F84-H86 AromaticContact CD1-ND1 3.99Å; F84-H86 AromaticContact CG-CE1 3.5Å; F84-H86 PolarHBondContact O-N 2.97Å; F84-C87 HydrophobicContact CB-CB 4.19Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 2.82Å; F84-F92 AromaticContact CD2-CD2 3.96Å; F84-F92 HydrophobicContact CD2-CD2 3.96Å; F84-F92 AromaticContact CD2-CE2 3.55Å; F84-F92 HydrophobicContact CD2-CE2 3.55Å; F84-F92 AromaticContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CE2-CD2 4.25Å; F84-F92 HydrophobicContact CE2-CE1 4.42Å; F84-F92 HydrophobicContact CE2-CE2 4.07Å; F84-F92 HydrophobicContact CE2-CZ 4.12Å; F84-V98 HydrophobicContact CE2-CB 4.49Å; F84-V98 HydrophobicContact CE2-CG1 4.07Å; F84-V98 HydrophobicContact CZ-CG1 3.72Å; F84-E101 HydrophobicContact CD2-CB 4.38Å; F84-E101 HydrophobicContact CD2-CG 3.75Å; F84-E101 HydrophobicContact CE1-CG 4.48Å; F84-E101 HydrophobicContact CE2-CB 3.68Å; F84-E101 HydrophobicContact CE2-CG 3.54Å; F84-E101 HydrophobicContact CG-CG 4.31Å; F84-E101 HydrophobicContact CZ-CB 3.94Å; F84-E101 HydrophobicContact CZ-CG 3.93Å; F84-I102 HydrophobicContact CE1-CG1 3.75Å; F84-I102 HydrophobicContact CZ-CD1 4.45Å; F84-I102 HydrophobicContact CZ-CG1 3.74Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.93Å; F84-N122 WeakPolarHBondContact CA-O 3.26Å; F84-L123 HydrophobicContact CD1-CB 4.29Å; F84-L123 HydrophobicContact CD1-CD1 4.04Å; F84-L123 HydrophobicContact CD2-CD1 4.36Å; F84-L123 HydrophobicContact CE1-CB 4.15Å; F84-L123 HydrophobicContact CE1-CD1 3.77Å; F84-L123 HydrophobicContact CE1-CD2 4.45Å; F84-L123 HydrophobicContact CE1-CG 4.35Å; F84-L123 HydrophobicContact CE2-CD1 4.1Å; F84-L123 HydrophobicContact CG-CD1 4.33Å; F84-L123 HydrophobicContact CZ-CD1 3.81Å |
| 85 | L | 86.4 | Confident | 90.3 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.7 | 177.8 | -171.3 | 65.3 | 0 | 0 | 0 | 112.5 | N122 | L85-N122 HydrophobicContact CB-CB 3.73Å; L85-N122 HydrophobicContact CD2-CB 4.07Å; L85-N122 PolarHBondContact N-O 2.66Å; L85-N122 VanDerWaalsContact N-O 3.14Å |
| 86 | H | 86.6 | Confident | 90.4 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -14.1 | 177.6 | 68.1 | -86.2 | 0 | 0 | 0 | 113.7 | F84 E101 E105 | F84-H86 VanDerWaalsContact CB-CE1 3.4Å; F84-H86 WeakPolarHBondContact CB-CE1 3.18Å; F84-H86 WeakPolarHBondContact CB-ND1 3.28Å; F84-H86 AromaticContact CD1-CE1 3.45Å; F84-H86 VanDerWaalsContact CD1-CE1 3.45Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.47Å; F84-H86 AromaticContact CD1-ND1 3.99Å; F84-H86 AromaticContact CG-CE1 3.5Å; F84-H86 PolarHBondContact O-N 2.97Å; H86-E101 IonicContact CD2-OE1 3.32Å; H86-E101 IonicContact CE1-OE1 2.82Å; H86-E101 IonicContact NE2-OE1 2.83Å; H86-E101 PolarHBondContact NE2-OE1 3.12Å; H86-E105 IonicContact CD2-OE2 3.66Å; H86-E105 IonicContact NE2-OE2 3.36Å |
| 87 | C | 85.6 | Confident | 90.6 | Very high | 24 Ų | 24 | 73.5 Ų | 73.5 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -113.2 | 65 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | F84 N89 K90 F92 | F84-C87 HydrophobicContact CB-CB 4.19Å; F84-C87 CarbonylContact O-C 3.56Å; F84-C87 PolarHBondContact O-N 2.82Å; C87-N89 PolarHBondContact O-N 3.33Å; C87-K90 HydrophobicContact CB-CB 4.1Å; C87-K90 HydrophobicContact CB-CD 4.44Å; C87-K90 WeakPolarHBondContact O-CB 3.42Å; C87-K90 PolarHBondContact O-N 3.39Å; C87-K90 VanDerWaalsContact O-N 3.12Å; C87-F92 HydrophobicContact CB-CE2 4.28Å |
| 88 | K | 79.4 | Confident | 90.8 | Very high | 164 Ų | 164 | 72.1 Ų | 72.1 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 133.1 | -178.5 | -63.9 | -173.9 | 179 | -177.1 | 0 | 111.7 | K90 | K88-K90 PolarHBondContact O-N 3.38Š|
| 89 | N | 81.6 | Confident | 90.9 | Very high | 156 Ų | 156 | 63.2 Ų | 63.2 | 83% | 0.834 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 10.1 | 178.1 | -51.1 | -40.6 | 0 | 0 | 0 | 115.8 | C87 | C87-N89 PolarHBondContact O-N 3.33Š|
| 90 | K | 91.2 | Very high | 91 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | trans | -100.9 | 111.8 | 174.4 | -172.9 | 179.5 | 173.3 | -169.6 | 0 | 109.8 | C87 K88 F92 | C87-K90 HydrophobicContact CB-CB 4.1Å; C87-K90 HydrophobicContact CB-CD 4.44Å; C87-K90 WeakPolarHBondContact O-CB 3.42Å; C87-K90 PolarHBondContact O-N 3.39Å; C87-K90 VanDerWaalsContact O-N 3.12Å; K88-K90 PolarHBondContact O-N 3.38Å; K90-F92 HydrophobicContact CB-CE2 4.15Å; K90-F92 HydrophobicContact CD-CE1 4.28Å; K90-F92 HydrophobicContact CD-CE2 3.68Å; K90-F92 HydrophobicContact CD-CZ 3.54Å; K90-F92 HydrophobicContact CG-CD2 4.24Å; K90-F92 HydrophobicContact CG-CE2 3.72Å; K90-F92 HydrophobicContact CG-CZ 4.09Å; K90-F92 WeakPolarHBondContact O-CD2 3.38Å | ||
| 91 | Q | 92.1 | Very high | 91.1 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.4 | 172.9 | -65.4 | -176.8 | -2.9 | 0 | 0 | 110.2 | Y81 | Y81-Q91 HydrophobicContact CD2-CB 4.04Å; Y81-Q91 HydrophobicContact CD2-CG 3.74Å; Y81-Q91 HydrophobicContact CE2-CG 3.93Å |
| 92 | F | 94.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.035 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 111.4 | 175.1 | -65.2 | -105.7 | 0 | 0 | 0 | 108.5 | Y81 A82 F84 C87 K90 E97 V98 E101 | Y81-F92 CarbonylContact C-O 3.46Å; Y81-F92 WeakPolarHBondContact CA-O 3.18Å; A82-F92 HydrophobicContact CB-CB 4.34Å; A82-F92 PolarHBondContact N-O 3.47Å; A82-F92 PolarHBondContact O-N 2.84Å; F84-F92 AromaticContact CD2-CD2 3.96Å; F84-F92 HydrophobicContact CD2-CD2 3.96Å; F84-F92 AromaticContact CD2-CE2 3.55Å; F84-F92 HydrophobicContact CD2-CE2 3.55Å; F84-F92 AromaticContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CD2-CZ 3.89Å; F84-F92 HydrophobicContact CE2-CD2 4.25Å; F84-F92 HydrophobicContact CE2-CE1 4.42Å; F84-F92 HydrophobicContact CE2-CE2 4.07Å; F84-F92 HydrophobicContact CE2-CZ 4.12Å; C87-F92 HydrophobicContact CB-CE2 4.28Å; K90-F92 HydrophobicContact CB-CE2 4.15Å; K90-F92 HydrophobicContact CD-CE1 4.28Å; K90-F92 HydrophobicContact CD-CE2 3.68Å; K90-F92 HydrophobicContact CD-CZ 3.54Å; K90-F92 HydrophobicContact CG-CD2 4.24Å; K90-F92 HydrophobicContact CG-CE2 3.72Å; K90-F92 HydrophobicContact CG-CZ 4.09Å; K90-F92 WeakPolarHBondContact O-CD2 3.38Å; F92-E97 HydrophobicContact CD1-CB 3.94Å; F92-E97 HydrophobicContact CE1-CB 4.49Å; F92-V98 HydrophobicContact CB-CG2 3.57Å; F92-V98 HydrophobicContact CD1-CG2 4.46Å; F92-V98 HydrophobicContact CG-CG2 4.21Å; F92-E101 HydrophobicContact CE1-CB 4.06Å; F92-E101 HydrophobicContact CE1-CG 4.29Å; F92-E101 HydrophobicContact CZ-CB 4.25Å; F92-E101 HydrophobicContact CZ-CG 3.96Å |
| 93 | T | 92.9 | Very high | 91 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | trans | -93.6 | -23.3 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 94 | D | 92.7 | Very high | 90.9 | Very high | 79 Ų | 79 | 64.6 Ų | 64.6 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | trans | -92.8 | 118.5 | 172.2 | -171.7 | -4.6 | 0 | 0 | 0 | 110.3 | D96 E97 V98 | D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 3.33Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å; D94-E97 HydrophobicContact CB-CB 4.3Å; D94-E97 HydrophobicContact CB-CG 4Å; D94-E97 WeakPolarHBondContact O-CB 3.4Å; D94-E97 PolarHBondContact O-N 3.24Å; D94-E97 VanDerWaalsContact O-N 3.16Å; D94-V98 PolarHBondContact O-N 2.94Å | ||
| 95 | F | 92.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.1 | -16.4 | 178.8 | -76.7 | -94.9 | 0 | 0 | 0 | 113.1 | V53 R55 F57 E80 E97 V98 R99 V125 | V53-F95 HydrophobicContact CG1-CD1 4.43Å; V53-F95 HydrophobicContact CG1-CE1 3.71Å; V53-F95 HydrophobicContact CG1-CZ 4.17Å; R55-F95 HydrophobicContact CB-CB 4.16Å; R55-F95 HydrophobicContact CB-CD1 3.93Å; R55-F95 HydrophobicContact CB-CD2 4.02Å; R55-F95 HydrophobicContact CB-CE1 4.27Å; R55-F95 HydrophobicContact CB-CE2 4.37Å; R55-F95 HydrophobicContact CB-CG 3.76Å; R55-F95 HydrophobicContact CB-CZ 4.47Å; R55-F95 HydrophobicContact CG-CD1 4.39Å; R55-F95 HydrophobicContact CG-CD2 3.77Å; R55-F95 HydrophobicContact CG-CE1 4.39Å; R55-F95 HydrophobicContact CG-CE2 3.8Å; R55-F95 HydrophobicContact CG-CG 4.06Å; R55-F95 HydrophobicContact CG-CZ 4.1Å; F57-F95 HydrophobicContact CB-CB 4.07Å; F57-F95 HydrophobicContact CB-CD1 3.65Å; F57-F95 HydrophobicContact CB-CG 4.35Å; F57-F95 HydrophobicContact CG-CD1 4.29Å; E80-F95 HydrophobicContact CG-CE2 3.98Å; E80-F95 HydrophobicContact CG-CZ 4.27Å; F95-E97 VanDerWaalsContact C-N 3.31Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.48Å; F95-V98 PolarHBondContact O-N 3.45Å; F95-R99 PolarHBondContact O-N 2.92Å; F95-V125 HydrophobicContact CE1-CG1 3.92Å; F95-V125 HydrophobicContact CE1-CG2 4.35Å; F95-V125 HydrophobicContact CZ-CG1 3.87Å |
| 96 | D | 92.1 | Very high | 91.2 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.2 | -31.8 | 168.2 | -74.8 | -32.8 | 0 | 0 | 0 | 110.9 | D94 R99 K100 | D94-D96 VanDerWaalsContact C-N 3.27Å; D94-D96 PolarHBondContact O-N 3.33Å; D94-D96 WeakPolarHBondContact OD1-CB 3.5Å; D94-D96 PolarHBondContact OD1-N 2.91Å; D96-R99 WeakPolarHBondContact O-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.49Å; D96-R99 IonicContact OD1-NE 3.56Å; D96-R99 IonicContact OD1-NH2 3.6Å; D96-K100 WeakPolarHBondContact O-CG 3.47Å; D96-K100 PolarHBondContact O-N 3.06Å; D96-K100 VanDerWaalsContact O-N 3.1Å |
| 97 | E | 94 | Very high | 91.4 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.7 | -35.1 | 171.7 | -66.3 | -63.2 | 120.8 | 0 | 0 | 111.9 | F92 D94 F95 R99 K100 E101 | F92-E97 HydrophobicContact CD1-CB 3.94Å; F92-E97 HydrophobicContact CE1-CB 4.49Å; D94-E97 HydrophobicContact CB-CB 4.3Å; D94-E97 HydrophobicContact CB-CG 4Å; D94-E97 WeakPolarHBondContact O-CB 3.4Å; D94-E97 PolarHBondContact O-N 3.24Å; D94-E97 VanDerWaalsContact O-N 3.16Å; F95-E97 VanDerWaalsContact C-N 3.31Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.42Å; E97-K100 IonicContact OE1-NZ 2.76Å; E97-K100 PolarHBondContact OE1-NZ 3.24Å; E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 PolarHBondContact O-N 2.65Å |
| 98 | V | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 170.7 | 178 | 0 | 0 | 0 | 0 | 110.2 | F57 A82 F84 F92 D94 F95 E101 I102 L123 | F57-V98 HydrophobicContact CB-CB 4.49Å; F57-V98 HydrophobicContact CB-CG1 4.24Å; F57-V98 HydrophobicContact CD2-CG1 4.11Å; A82-V98 HydrophobicContact CB-CG2 3.67Å; F84-V98 HydrophobicContact CE2-CB 4.49Å; F84-V98 HydrophobicContact CE2-CG1 4.07Å; F84-V98 HydrophobicContact CZ-CG1 3.72Å; F92-V98 HydrophobicContact CB-CG2 3.57Å; F92-V98 HydrophobicContact CD1-CG2 4.46Å; F92-V98 HydrophobicContact CG-CG2 4.21Å; D94-V98 PolarHBondContact O-N 2.94Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.48Å; F95-V98 PolarHBondContact O-N 3.45Å; V98-E101 PolarHBondContact O-N 3.46Å; V98-I102 HydrophobicContact CG1-CD1 4.24Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.15Å; V98-L123 HydrophobicContact CG1-CD1 4.04Å; V98-L123 HydrophobicContact CG1-CD2 3.91Å |
| 99 | R | 93.8 | Very high | 91.9 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -51.4 | 176.8 | -173.2 | -165.4 | -54.5 | -142.1 | 3.1 | 112.2 | D56 F57 P59 F95 D96 E97 E101 I102 E103 | D56-R99 PolarHBondContact O-NH2 2.87Å; F57-R99 WeakPolarHBondContact O-CA 3.36Å; F57-R99 VanDerWaalsContact O-CB 3.27Å; F57-R99 WeakPolarHBondContact O-CB 3.45Å; P59-R99 HydrophobicContact CG-CG 4.13Å; F95-R99 PolarHBondContact O-N 2.92Å; D96-R99 WeakPolarHBondContact O-CB 3.48Å; D96-R99 PolarHBondContact O-N 3.49Å; D96-R99 IonicContact OD1-NE 3.56Å; D96-R99 IonicContact OD1-NH2 3.6Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.49Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 3.4Å; R99-I102 PolarHBondContact O-N 2.81Å; R99-E103 PolarHBondContact O-N 2.91Å; R99-E103 VanDerWaalsContact O-N 3.14Å |
| 100 | K | 93.9 | Very high | 92.1 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 179.5 | -70 | 173.6 | -165.7 | 165.3 | 0 | 111.9 | D96 E97 E103 A104 | D96-K100 WeakPolarHBondContact O-CG 3.47Å; D96-K100 PolarHBondContact O-N 3.06Å; D96-K100 VanDerWaalsContact O-N 3.1Å; E97-K100 PolarHBondContact O-N 3.42Å; E97-K100 IonicContact OE1-NZ 2.76Å; E97-K100 PolarHBondContact OE1-NZ 3.24Å; K100-E103 PolarHBondContact O-N 3.42Å; K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.5Å; K100-A104 PolarHBondContact O-N 2.91Å |
| 101 | E | 95 | Very high | 91.7 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.2 | -175.1 | 64.3 | -143.6 | 0 | 0 | 111.7 | F84 H86 F92 E97 V98 R99 E103 A104 E105 | F84-E101 HydrophobicContact CD2-CB 4.38Å; F84-E101 HydrophobicContact CD2-CG 3.75Å; F84-E101 HydrophobicContact CE1-CG 4.48Å; F84-E101 HydrophobicContact CE2-CB 3.68Å; F84-E101 HydrophobicContact CE2-CG 3.54Å; F84-E101 HydrophobicContact CG-CG 4.31Å; F84-E101 HydrophobicContact CZ-CB 3.94Å; F84-E101 HydrophobicContact CZ-CG 3.93Å; H86-E101 IonicContact CD2-OE1 3.32Å; H86-E101 IonicContact CE1-OE1 2.82Å; H86-E101 IonicContact NE2-OE1 2.83Å; H86-E101 PolarHBondContact NE2-OE1 3.12Å; F92-E101 HydrophobicContact CE1-CB 4.06Å; F92-E101 HydrophobicContact CE1-CG 4.29Å; F92-E101 HydrophobicContact CZ-CB 4.25Å; F92-E101 HydrophobicContact CZ-CG 3.96Å; E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 PolarHBondContact O-N 2.65Å; V98-E101 PolarHBondContact O-N 3.46Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 3.4Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.38Å; E101-A104 PolarHBondContact O-N 2.83Å; E101-E105 WeakPolarHBondContact O-CB 3.33Å; E101-E105 PolarHBondContact O-N 3.19Å |
| 102 | I | 94 | Very high | 90.8 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.8 | -66.4 | 167.1 | 0 | 0 | 0 | 110.7 | F57 L58 P59 L70 F84 V98 R99 T106 I121 L123 | F57-I102 HydrophobicContact CD2-CD1 4.05Å; F57-I102 HydrophobicContact CE2-CD1 4.42Å; L58-I102 HydrophobicContact CD2-CD1 4.07Å; P59-I102 HydrophobicContact CG-CB 4.22Å; P59-I102 HydrophobicContact CG-CG2 3.91Å; L70-I102 HydrophobicContact CD2-CD1 4.46Å; F84-I102 HydrophobicContact CE1-CG1 3.75Å; F84-I102 HydrophobicContact CZ-CD1 4.45Å; F84-I102 HydrophobicContact CZ-CG1 3.74Å; V98-I102 HydrophobicContact CG1-CD1 4.24Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.15Å; R99-I102 PolarHBondContact O-N 2.81Å; I102-T106 VanDerWaalsContact O-CB 3.27Å; I102-T106 WeakPolarHBondContact O-CB 3.24Å; I102-T106 PolarHBondContact O-N 2.82Å; I102-T106 PolarHBondContact O-OG1 3.21Å; I102-I121 HydrophobicContact CG2-CD1 4.32Å; I102-L123 HydrophobicContact CD1-CD2 4.23Å |
| 103 | E | 92.2 | Very high | 89.8 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -52.8 | 176.9 | -66.4 | 171.9 | -179.7 | 0 | 0 | 110.7 | P59 R99 K100 E101 E105 T106 D107 | P59-E103 HydrophobicContact CB-CG 3.73Å; P59-E103 VanDerWaalsContact CB-OE1 3.24Å; P59-E103 WeakPolarHBondContact CB-OE1 3.4Å; P59-E103 HydrophobicContact CG-CG 3.41Å; P59-E103 VanDerWaalsContact CG-CG 3.41Å; R99-E103 PolarHBondContact O-N 2.91Å; R99-E103 VanDerWaalsContact O-N 3.14Å; K100-E103 PolarHBondContact O-N 3.42Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.38Å; E103-E105 PolarHBondContact O-N 2.9Å; E103-T106 WeakPolarHBondContact O-CB 3.46Å; E103-T106 PolarHBondContact O-N 3.13Å; E103-D107 PolarHBondContact O-N 2.69Å |
| 104 | A | 91.9 | Very high | 88.7 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K100 E101 D107 R108 | K100-A104 VanDerWaalsContact O-CB 3.29Å; K100-A104 WeakPolarHBondContact O-CB 3.5Å; K100-A104 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 2.83Å; A104-D107 PolarHBondContact O-N 2.9Å; A104-R108 WeakPolarHBondContact O-CB 3.47Å; A104-R108 PolarHBondContact O-N 2.79Å |
| 105 | E | 92.4 | Very high | 88.2 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 177.5 | 177.6 | 52.4 | -150.2 | 0 | 0 | 111.7 | R68 H86 E101 E103 R108 I121 | R68-E105 IonicContact CZ-OE1 3.85Å; R68-E105 PolarHBondContact NH1-O 3.28Å; R68-E105 IonicContact NH1-OE1 2.72Å; R68-E105 PolarHBondContact NH1-OE1 3.01Å; R68-E105 IonicContact NH2-OE1 2.72Å; H86-E105 IonicContact CD2-OE2 3.66Å; H86-E105 IonicContact NE2-OE2 3.36Å; E101-E105 WeakPolarHBondContact O-CB 3.33Å; E101-E105 PolarHBondContact O-N 3.19Å; E103-E105 PolarHBondContact O-N 2.9Å; E105-R108 IonicContact OE2-CZ 2.95Å; E105-R108 VanDerWaalsContact OE2-CZ 3.29Å; E105-R108 IonicContact OE2-NE 3.38Å; E105-R108 IonicContact OE2-NH1 2.61Å; E105-R108 PolarHBondContact OE2-NH1 2.87Å; E105-I121 HydrophobicContact CG-CD1 4.29Å; E105-I121 HydrophobicContact CG-CG1 4.34Å |
| 106 | T | 91.7 | Very high | 88 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 171.6 | -60 | 0 | 0 | 0 | 0 | 111 | R67 R68 I102 E103 R108 L109 T110 I121 | R67-T106 HydrophobicContact CB-CG2 3.82Å; R68-T106 HydrophobicContact CG-CG2 4.28Å; I102-T106 VanDerWaalsContact O-CB 3.27Å; I102-T106 WeakPolarHBondContact O-CB 3.24Å; I102-T106 PolarHBondContact O-N 2.82Å; I102-T106 PolarHBondContact O-OG1 3.21Å; E103-T106 WeakPolarHBondContact O-CB 3.46Å; E103-T106 PolarHBondContact O-N 3.13Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 2.86Å; T106-L109 PolarHBondContact O-N 2.66Å; T106-T110 PolarHBondContact O-N 3.43Å; T106-T110 PolarHBondContact O-OG1 2.69Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.45Å |
| 107 | D | 90.8 | Very high | 87.8 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 178.2 | -74.6 | -27.7 | 0 | 0 | 0 | 112.5 | R67 E103 A104 L109 G111 | R67-D107 IonicContact CZ-OD1 2.78Å; R67-D107 IonicContact NH1-OD1 3.87Å; R67-D107 PolarHBondContact NH1-OD1 2.83Å; R67-D107 IonicContact NH2-OD1 2.58Å; R67-D107 PolarHBondContact NH2-OD1 3.45Å; E103-D107 PolarHBondContact O-N 2.69Å; A104-D107 PolarHBondContact O-N 2.9Å; D107-L109 PolarHBondContact O-N 2.77Å; D107-G111 CarbonylContact O-C 3.55Å; D107-G111 WeakPolarHBondContact O-CA 3.43Å; D107-G111 PolarHBondContact O-N 3.11Å |
| 108 | R | 90.6 | Very high | 87.6 | Confident | 166 Ų | 166 | 54.1 Ų | 54.1 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.5 | -37.6 | 177.2 | -173.2 | -179.2 | -65.5 | 159.4 | 0 | 112.7 | A104 E105 T106 | A104-R108 WeakPolarHBondContact O-CB 3.47Å; A104-R108 PolarHBondContact O-N 2.79Å; E105-R108 IonicContact OE2-CZ 2.95Å; E105-R108 VanDerWaalsContact OE2-CZ 3.29Å; E105-R108 IonicContact OE2-NE 3.38Å; E105-R108 IonicContact OE2-NH1 2.61Å; E105-R108 PolarHBondContact OE2-NH1 2.87Å; T106-R108 VanDerWaalsContact C-N 3.3Å; T106-R108 PolarHBondContact O-N 2.86Å |
| 109 | L | 86.6 | Confident | 87.2 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -97.5 | -41.5 | -176.9 | -170.3 | 67.6 | 0 | 0 | 0 | 113.1 | T106 D107 S117 T119 | T106-L109 PolarHBondContact O-N 2.66Å; D107-L109 PolarHBondContact O-N 2.77Å; L109-S117 WeakPolarHBondContact CD2-OG 3.44Å; L109-T119 HydrophobicContact CD2-CG2 4.33Å |
| 110 | T | 85.3 | Confident | 87 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -91.9 | -8.8 | -175.6 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | R67 R68 T106 | R67-T110 PolarHBondContact NH1-OG1 3.27Å; R68-T110 HydrophobicContact CG-CG2 4.39Å; T106-T110 PolarHBondContact O-N 3.43Å; T106-T110 PolarHBondContact O-OG1 2.69Å |
| 111 | G | 81.7 | Confident | 87 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | trans | 71.2 | -174.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R67 D107 N113 | R67-G111 PolarHBondContact NH1-O 3.38Å; D107-G111 CarbonylContact O-C 3.55Å; D107-G111 WeakPolarHBondContact O-CA 3.43Å; D107-G111 PolarHBondContact O-N 3.11Å; G111-N113 PolarHBondContact O-N 3.02Å | ||
| 112 | S | 74.8 | Confident | 86.8 | Confident | 106 Ų | 106 | 52.3 Ų | 52.3 | 74% | 0.741 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72 | -8.5 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 113 | N | 71.3 | Confident | 86.8 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -73 | 147.1 | 176.2 | -65.4 | -5.6 | 0 | 0 | 0 | 109.4 | R67 G111 G115 | R67-N113 PolarHBondContact NH1-O 2.92Å; G111-N113 PolarHBondContact O-N 3.02Å; N113-G115 PolarHBondContact O-N 2.8Å |
| 114 | K | 70.4 | Confident | 86.7 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -73.8 | 29 | 179.2 | -66.7 | -170.7 | -178.9 | -175.7 | 0 | 114.1 | Q149 | K114-Q149 HydrophobicContact CB-CG 3.56Å; K114-Q149 HydrophobicContact CD-CG 4.47Å |
| 115 | G | 81.9 | Confident | 86.8 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | -70.7 | 166.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R67 N113 | R67-G115 VanDerWaalsContact CD-O 3.29Å; R67-G115 WeakPolarHBondContact CD-O 3.47Å; N113-G115 PolarHBondContact O-N 2.8Å | ||
| 116 | I | 87.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | trans | -116.5 | 160.5 | 179.4 | 66.8 | 175.9 | 0 | 0 | 0 | 110.6 | R67 I153 Q156 I157 M160 | R67-I116 HydrophobicContact CB-CG2 4.39Å; R67-I116 VanDerWaalsContact O-CA 3.25Å; R67-I116 WeakPolarHBondContact O-CA 3.19Å; R67-I116 WeakPolarHBondContact O-CB 3.32Å; I116-I153 HydrophobicContact CD1-CD1 4.1Å; I116-I153 HydrophobicContact CG1-CD1 4.22Å; I116-I153 HydrophobicContact CG2-CD1 3.95Å; I116-Q156 HydrophobicContact CD1-CB 3.65Å; I116-Q156 HydrophobicContact CG1-CB 4.34Å; I116-I157 HydrophobicContact CD1-CB 4.46Å; I116-I157 HydrophobicContact CD1-CG1 3.73Å; I116-M160 HydrophobicContact CB-CE 3.9Å; I116-M160 HydrophobicContact CD1-CE 3.65Å; I116-M160 HydrophobicContact CG1-CE 3.84Å | ||
| 117 | S | 89.7 | Confident | 86.9 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | trans | -141.7 | 139.5 | 174.4 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | R67 P69 L109 T119 M160 | R67-S117 PolarHBondContact O-N 2.71Å; R67-S117 VanDerWaalsContact O-N 3.1Å; P69-S117 WeakPolarHBondContact CD-O 3.16Å; L109-S117 WeakPolarHBondContact CD2-OG 3.44Å; S117-T119 PolarHBondContact O-N 3.42Å; S117-T119 PolarHBondContact OG-N 2.88Å; S117-T119 PolarHBondContact OG-OG1 3.03Å; S117-M160 VanDerWaalsContact C-CE 3.44Å; S117-M160 VanDerWaalsContact O-CE 3.3Å; S117-M160 WeakPolarHBondContact O-CE 3.31Å | ||
| 118 | N | 87.9 | Confident | 86.9 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74.8 | -12.1 | 179.5 | -63.2 | 11.1 | 0 | 0 | 0 | 112.2 | P120 M160 E163 | N118-P120 VanDerWaalsContact O-CD 3.31Å; N118-P120 WeakPolarHBondContact O-CD 3.47Å; N118-M160 WeakPolarHBondContact OD1-CE 3.47Å; N118-E163 PolarHBondContact ND2-OE2 2.89Å |
| 119 | T | 88.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 45.4 Ų | 45.4 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -71 | 115.6 | 178.9 | -50 | 0 | 0 | 0 | 0 | 110.7 | R68 L109 S117 | R68-T119 PolarHBondContact NE-O 3.42Å; R68-T119 PolarHBondContact NH2-O 3.28Å; R68-T119 VanDerWaalsContact NH2-O 3.16Å; L109-T119 HydrophobicContact CD2-CG2 4.33Å; S117-T119 PolarHBondContact O-N 3.42Å; S117-T119 PolarHBondContact OG-N 2.88Å; S117-T119 PolarHBondContact OG-OG1 3.03Å |
| 120 | P | 89.9 | Confident | 86.8 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -70.9 | 158.4 | -174.9 | 28.2 | -34.5 | 0 | 0 | 0 | 112.9 | R68 P69 V71 N118 | R68-P120 PolarHBondContact NH2-O 2.59Å; R68-P120 VanDerWaalsContact NH2-O 3.13Å; P69-P120 HydrophobicContact CB-CB 4.19Å; P69-P120 CarbonylContact O-C 3.34Å; P69-P120 WeakPolarHBondContact O-CA 3.22Å; V71-P120 HydrophobicContact CG2-CB 3.96Å; N118-P120 VanDerWaalsContact O-CD 3.31Å; N118-P120 WeakPolarHBondContact O-CD 3.47Å | ||
| 121 | I | 92 | Very high | 86.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.3 | 163.1 | -60 | 174.4 | 0 | 0 | 0 | 107 | R68 P69 L70 V71 F84 I102 E105 T106 | R68-I121 HydrophobicContact CB-CD1 4.39Å; R68-I121 HydrophobicContact CB-CG1 4.41Å; P69-I121 PolarHBondContact O-N 3.32Å; L70-I121 HydrophobicContact CD1-CB 3.89Å; L70-I121 HydrophobicContact CD1-CG2 3.84Å; V71-I121 PolarHBondContact N-O 2.75Å; F84-I121 HydrophobicContact CD1-CG2 3.89Å; F84-I121 HydrophobicContact CE1-CG2 3.93Å; I102-I121 HydrophobicContact CG2-CD1 4.32Å; E105-I121 HydrophobicContact CG-CD1 4.29Å; E105-I121 HydrophobicContact CG-CG1 4.34Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.45Å |
| 122 | N | 91.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.7 | 179 | -69.2 | -76.4 | 0 | 0 | 0 | 109.8 | V71 F84 L85 | V71-N122 WeakPolarHBondContact CB-OD1 3.12Å; F84-N122 WeakPolarHBondContact CA-O 3.26Å; L85-N122 HydrophobicContact CB-CB 3.73Å; L85-N122 HydrophobicContact CD2-CB 4.07Å; L85-N122 PolarHBondContact N-O 2.66Å; L85-N122 VanDerWaalsContact N-O 3.14Å |
| 123 | L | 93.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.8 | -177.6 | 173.8 | 61.4 | 0 | 0 | 0 | 110.3 | F57 L70 V71 L72 Q73 A82 F84 V98 I102 V125 | F57-L123 HydrophobicContact CD2-CD2 3.85Å; F57-L123 HydrophobicContact CE2-CD2 3.62Å; L70-L123 HydrophobicContact CD1-CB 3.99Å; L70-L123 HydrophobicContact CD1-CD2 4.47Å; V71-L123 PolarHBondContact O-N 2.85Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.12Å; Q73-L123 PolarHBondContact N-O 3.46Å; A82-L123 HydrophobicContact CB-CD1 3.96Å; F84-L123 HydrophobicContact CD1-CB 4.29Å; F84-L123 HydrophobicContact CD1-CD1 4.04Å; F84-L123 HydrophobicContact CD2-CD1 4.36Å; F84-L123 HydrophobicContact CE1-CB 4.15Å; F84-L123 HydrophobicContact CE1-CD1 3.77Å; F84-L123 HydrophobicContact CE1-CD2 4.45Å; F84-L123 HydrophobicContact CE1-CG 4.35Å; F84-L123 HydrophobicContact CE2-CD1 4.1Å; F84-L123 HydrophobicContact CG-CD1 4.33Å; F84-L123 HydrophobicContact CZ-CD1 3.81Å; V98-L123 HydrophobicContact CG1-CD1 4.04Å; V98-L123 HydrophobicContact CG1-CD2 3.91Å; I102-L123 HydrophobicContact CD1-CD2 4.23Å; L123-V125 HydrophobicContact CD2-CG2 4.36Å; L123-V125 HydrophobicContact CG-CG2 4.16Å |
| 124 | R | 91.9 | Very high | 88.9 | Confident | 50 Ų | 50 | 34 Ų | 34 | 19% | 0.189 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.7 | 169.5 | -67.9 | -177.9 | -171.4 | 153.7 | 11.9 | 110.3 | D19 Q73 I75 A82 E83 Y126 | D19-R124 IonicContact OD1-CZ 3.5Å; D19-R124 IonicContact OD1-NH2 2.74Å; D19-R124 PolarHBondContact OD1-NH2 3.15Å; D19-R124 IonicContact OD2-CZ 3.94Å; D19-R124 IonicContact OD2-NH2 3.35Å; D19-R124 PolarHBondContact OD2-NH2 3.11Å; Q73-R124 HydrophobicContact CB-CG 4.02Å; Q73-R124 CarbonylContact O-C 3.55Å; Q73-R124 WeakPolarHBondContact O-CA 3.45Å; Q73-R124 VanDerWaalsContact OE1-CG 3.29Å; I75-R124 HydrophobicContact CD1-CG 4.45Å; A82-R124 CarbonylContact C-O 3.5Å; A82-R124 WeakPolarHBondContact CA-O 3.19Å; A82-R124 WeakPolarHBondContact CB-O 3.36Å; E83-R124 PolarHBondContact N-O 3.48Å; E83-R124 PolarHBondContact O-N 3.33Å; R124-Y126 HydrophobicContact CB-CD2 4.45Å; R124-Y126 HydrophobicContact CB-CE2 3.81Å; R124-Y126 WeakPolarHBondContact CD-OH 3.16Å |
| 125 | V | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 113.9 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | V53 L72 Q73 L74 I75 A82 F95 L123 | V53-V125 HydrophobicContact CG1-CG1 4.01Å; L72-V125 HydrophobicContact CD1-CG2 3.81Å; Q73-V125 PolarHBondContact O-N 3.26Å; L74-V125 HydrophobicContact CD2-CB 3.93Å; L74-V125 HydrophobicContact CD2-CG2 4.37Å; I75-V125 PolarHBondContact N-O 3.36Å; A82-V125 HydrophobicContact CB-CG2 4.33Å; F95-V125 HydrophobicContact CE1-CG1 3.92Å; F95-V125 HydrophobicContact CE1-CG2 4.35Å; F95-V125 HydrophobicContact CZ-CG1 3.87Å; L123-V125 HydrophobicContact CD2-CG2 4.36Å; L123-V125 HydrophobicContact CG-CG2 4.16Å |
| 126 | Y | 93.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 30 Ų | 30 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.6 | 171 | -61.5 | -91.4 | 0 | 0 | 0 | 107.4 | I75 N79 E80 Y81 R124 | I75-Y126 HydrophobicContact CB-CD1 3.87Å; I75-Y126 HydrophobicContact CB-CE1 4.06Å; I75-Y126 HydrophobicContact CD1-CD1 4.24Å; I75-Y126 HydrophobicContact CD1-CE1 3.59Å; I75-Y126 HydrophobicContact CG1-CE1 4.42Å; I75-Y126 HydrophobicContact CG2-CD1 3.84Å; I75-Y126 HydrophobicContact CG2-CE1 3.91Å; I75-Y126 WeakPolarHBondContact O-CA 3.22Å; N79-Y126 CarbonylContact O-C 3.46Å; E80-Y126 CarbonylContact C-O 3.58Å; E80-Y126 WeakPolarHBondContact CA-O 3.36Å; Y81-Y126 HydrophobicContact CD1-CD2 4.38Å; Y81-Y126 HydrophobicContact CD1-CG 4.3Å; Y81-Y126 AromaticContact CD2-CD2 3.76Å; Y81-Y126 HydrophobicContact CD2-CD2 3.76Å; Y81-Y126 HydrophobicContact CD2-CE2 4.39Å; Y81-Y126 HydrophobicContact CD2-CG 4.47Å; Y81-Y126 HydrophobicContact CE1-CD1 4.37Å; Y81-Y126 AromaticContact CE1-CD2 3.91Å; Y81-Y126 HydrophobicContact CE1-CD2 3.91Å; Y81-Y126 AromaticContact CE1-CG 3.69Å; Y81-Y126 HydrophobicContact CE1-CG 3.69Å; Y81-Y126 AromaticContact CE2-CD2 3.22Å; Y81-Y126 HydrophobicContact CE2-CD2 3.22Å; Y81-Y126 AromaticContact CE2-CE2 3.56Å; Y81-Y126 HydrophobicContact CE2-CE2 3.56Å; Y81-Y126 AromaticContact CE2-CG 3.9Å; Y81-Y126 HydrophobicContact CE2-CG 3.9Å; Y81-Y126 HydrophobicContact CG-CD2 4.31Å; Y81-Y126 AromaticContact CZ-CD2 3.3Å; Y81-Y126 AromaticContact CZ-CE2 3.77Å; Y81-Y126 AromaticContact CZ-CG 3.47Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.47Å; Y81-Y126 PolarHBondContact N-O 3.32Å; Y81-Y126 PolarHBondContact O-N 3.34Å; R124-Y126 HydrophobicContact CB-CD2 4.45Å; R124-Y126 HydrophobicContact CB-CE2 3.81Å; R124-Y126 WeakPolarHBondContact CD-OH 3.16Å |
| 127 | S | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 148.4 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 111 | I75 N76 S77 E80 N129 V130 | I75-S127 PolarHBondContact O-N 3.37Å; N76-S127 WeakPolarHBondContact CA-O 3.45Å; S77-S127 PolarHBondContact N-O 2.75Å; S77-S127 VanDerWaalsContact N-O 3.08Å; S77-S127 CarbonylContact O-C 3.09Å; E80-S127 PolarHBondContact OE1-OG 3.21Å; S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 PolarHBondContact OG-N 2.78Å; S127-V130 WeakPolarHBondContact O-CG2 2.8Å |
| 128 | P | 89.5 | Confident | 91.1 | Very high | 64 Ų | 64 | 27.8 Ų | 27.8 | 42% | 0.416 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.4 | 174.2 | 28.6 | -34.8 | 0 | 0 | 0 | 112.3 | S77 | S77-P128 WeakPolarHBondContact O-CA 3.44Å; S77-P128 WeakPolarHBondContact O-CB 3.43Å; S77-P128 VanDerWaalsContact O-CD 3.28Å; S77-P128 WeakPolarHBondContact O-CD 3.32Å |
| 129 | N | 86.7 | Confident | 91.3 | Very high | 104 Ų | 104 | 24.5 Ų | 24.5 | 56% | 0.556 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 0.8 | -174.2 | -55.5 | -53.8 | 0 | 0 | 0 | 113.4 | S127 | S127-N129 PolarHBondContact O-N 2.89Å; S127-N129 PolarHBondContact OG-N 2.78Å |
| 130 | V | 89 | Confident | 91.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | trans | -114.2 | 151.5 | -176.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | F52 L74 I75 N76 S127 | F52-V130 WeakPolarHBondContact O-CG1 3.19Å; L74-V130 HydrophobicContact CB-CB 4.19Å; L74-V130 HydrophobicContact CB-CG2 4.05Å; L74-V130 HydrophobicContact CD1-CB 4.49Å; I75-V130 WeakPolarHBondContact O-CG2 3.29Å; N76-V130 WeakPolarHBondContact CB-O 3.19Å; N76-V130 PolarHBondContact ND2-O 2.97Å; S127-V130 WeakPolarHBondContact O-CG2 2.8Å | ||
| 131 | L | 87.7 | Confident | 91.5 | Very high | 65 Ų | 65 | 19.6 Ų | 19.6 | 34% | 0.34 | 10% | 0.104 | S | C | . | . | trans | -87 | 152.1 | 163.8 | -61.4 | 179.3 | 0 | 0 | 0 | 109.8 | L74 L133 Q279 N283 | L74-L131 WeakPolarHBondContact CB-O 3.41Å; L131-L133 PolarHBondContact O-N 3.45Å; L131-L133 VanDerWaalsContact O-N 3.1Å; L131-Q279 HydrophobicContact CB-CG 4.43Å; L131-Q279 HydrophobicContact CD1-CG 4.26Å; L131-Q279 HydrophobicContact CG-CG 4.47Å; L131-N283 HydrophobicContact CB-CB 4.38Å; L131-N283 HydrophobicContact CD1-CB 4.2Å | ||
| 132 | N | 87.6 | Confident | 91.2 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 20% | 0.203 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -58.5 | 115.4 | 172 | -68.7 | -22.3 | 0 | 0 | 0 | 109 | I11 L74 I75 N76 N283 | I11-N132 HydrophobicContact CB-CB 4.49Å; I11-N132 HydrophobicContact CD1-CB 4.49Å; I11-N132 WeakPolarHBondContact CD1-O 3.45Å; I11-N132 HydrophobicContact CG2-CB 4.38Å; L74-N132 CarbonylContact O-C 3.58Å; L74-N132 VanDerWaalsContact O-CA 3.25Å; L74-N132 WeakPolarHBondContact O-CA 3.43Å; I75-N132 WeakPolarHBondContact CA-OD1 3.22Å; N76-N132 PolarHBondContact N-OD1 2.95Å; N132-N283 PolarHBondContact O-ND2 3.12Å |
| 133 | L | 90.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 137.5 | -175.5 | -174.6 | 64.8 | 0 | 0 | 0 | 110.1 | I35 F52 L74 L131 L135 L282 L286 | I35-L133 HydrophobicContact CD1-CD1 4.15Å; F52-L133 HydrophobicContact CD2-CD2 4.43Å; F52-L133 HydrophobicContact CE2-CD2 4.47Å; L74-L133 HydrophobicContact CB-CB 4.37Å; L74-L133 WeakPolarHBondContact CB-O 3.21Å; L74-L133 HydrophobicContact CD1-CB 4.47Å; L74-L133 PolarHBondContact N-O 3.06Å; L74-L133 PolarHBondContact O-N 2.93Å; L131-L133 PolarHBondContact O-N 3.45Å; L131-L133 VanDerWaalsContact O-N 3.1Å; L133-L135 HydrophobicContact CD1-CD2 4.33Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CD2 3.97Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD1 4.34Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L133-L135 HydrophobicContact CG-CG 3.95Å; L133-L282 HydrophobicContact CD1-CB 3.98Å; L133-L282 HydrophobicContact CD2-CB 4.07Å; L133-L282 HydrophobicContact CD2-CD1 4.43Å; L133-L286 HydrophobicContact CD1-CB 4.42Å; L133-L286 HydrophobicContact CD1-CD2 3.92Å |
| 134 | T | 90.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.3 | 175.6 | -56 | 0 | 0 | 0 | 0 | 109.4 | N15 V71 L72 Q73 | N15-T134 PolarHBondContact ND2-OG1 3.35Å; N15-T134 PolarHBondContact OD1-OG1 3.49Å; V71-T134 HydrophobicContact CG1-CG2 4.15Å; L72-T134 WeakPolarHBondContact O-CA 3.34Å; Q73-T134 HydrophobicContact CG-CG2 3.85Å |
| 135 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.7 | -177.9 | -58.8 | 173.7 | 0 | 0 | 0 | 109.6 | I35 V37 L49 F52 L72 L133 L282 | I35-L135 HydrophobicContact CB-CD2 3.68Å; I35-L135 HydrophobicContact CD1-CD2 3.9Å; I35-L135 HydrophobicContact CG1-CD2 4.24Å; I35-L135 HydrophobicContact CG2-CD2 3.82Å; I35-L135 CarbonylContact O-C 3.54Å; I35-L135 WeakPolarHBondContact O-CA 3.34Å; V37-L135 HydrophobicContact CG2-CB 4.49Å; L49-L135 HydrophobicContact CD2-CB 4.14Å; L49-L135 HydrophobicContact CD2-CD1 3.36Å; L49-L135 HydrophobicContact CD2-CG 4.37Å; F52-L135 HydrophobicContact CD2-CD1 3.52Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; L72-L135 PolarHBondContact N-O 3.38Å; L72-L135 PolarHBondContact O-N 3.14Å; L133-L135 HydrophobicContact CD1-CD2 4.33Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CD2-CD2 3.97Å; L133-L135 HydrophobicContact CD2-CG 3.94Å; L133-L135 HydrophobicContact CG-CD1 4.34Å; L133-L135 HydrophobicContact CG-CD2 4.01Å; L133-L135 HydrophobicContact CG-CG 3.95Å; L135-L282 HydrophobicContact CD2-CD1 4.35Å |
| 136 | I | 93.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.2 | 173.1 | -53.7 | -178 | 0 | 0 | 0 | 108.2 | Q34 I35 V37 P69 L70 V71 L138 F164 | Q34-I136 HydrophobicContact CB-CD1 4.33Å; Q34-I136 HydrophobicContact CG-CD1 4.02Å; I35-I136 PolarHBondContact O-N 3.23Å; V37-I136 PolarHBondContact N-O 3.2Å; P69-I136 HydrophobicContact CB-CG2 4.21Å; L70-I136 CarbonylContact O-C 3.49Å; L70-I136 WeakPolarHBondContact O-CA 3.21Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.25Å; I136-L138 HydrophobicContact CG2-CD2 3.76Å; I136-L138 HydrophobicContact CG2-CG 4.19Å; I136-L138 PolarHBondContact O-N 3.15Å; I136-F164 HydrophobicContact CD1-CD1 3.99Å; I136-F164 HydrophobicContact CD1-CE1 4.19Å; I136-F164 HydrophobicContact CG2-CD1 4.42Å; I136-F164 HydrophobicContact CG2-CE1 4.37Å |
| 137 | D | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.1 | 169.1 | -161.1 | 23.6 | 0 | 0 | 0 | 108.8 | S46 L49 T66 P69 L70 | S46-D137 PolarHBondContact OG-OD2 3.27Å; L49-D137 HydrophobicContact CD1-CB 3.42Å; L49-D137 VanDerWaalsContact CD1-CB 3.42Å; L49-D137 VanDerWaalsContact CD1-CG 3.45Å; T66-D137 PolarHBondContact OG1-OD2 2.87Å; P69-D137 WeakPolarHBondContact CA-O 3.5Å; L70-D137 HydrophobicContact CB-CB 4.14Å; L70-D137 PolarHBondContact N-O 2.78Å; L70-D137 PolarHBondContact O-N 3.11Å |
| 138 | L | 94.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -101.8 | 152.1 | 176.9 | -63.6 | 173.8 | 0 | 0 | 0 | 110.5 | A36 V37 V38 K45 P69 I136 G140 I161 F164 | A36-L138 HydrophobicContact CB-CD1 3.91Å; V37-L138 PolarHBondContact O-N 2.98Å; V38-L138 HydrophobicContact CG2-CD1 4.05Å; K45-L138 WeakPolarHBondContact CE-O 3.17Å; P69-L138 HydrophobicContact CB-CD2 3.94Å; P69-L138 HydrophobicContact CG-CD2 4.1Å; I136-L138 HydrophobicContact CG2-CD2 3.76Å; I136-L138 HydrophobicContact CG2-CG 4.19Å; I136-L138 PolarHBondContact O-N 3.15Å; L138-G140 PolarHBondContact O-N 3.41Å; L138-I161 HydrophobicContact CB-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CB 4.46Å; L138-I161 HydrophobicContact CD1-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CG2 4.26Å; L138-F164 HydrophobicContact CD1-CB 4.19Å; L138-F164 HydrophobicContact CD1-CG 4.48Å; L138-F164 HydrophobicContact CD2-CD2 3.65Å; L138-F164 HydrophobicContact CD2-CE2 3.91Å; L138-F164 HydrophobicContact CD2-CG 4.02Å; L138-F164 HydrophobicContact CD2-CZ 4.45Å |
| 139 | P | 92.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -49.4 | 139.9 | 172.2 | -29.7 | 37.8 | 0 | 0 | 0 | 112.4 | I64 T66 I157 M160 | I64-P139 HydrophobicContact CG2-CB 4.49Å; T66-P139 WeakPolarHBondContact O-CA 3.44Å; T66-P139 WeakPolarHBondContact O-CB 3.23Å; T66-P139 VanDerWaalsContact O-CG 3.32Å; T66-P139 WeakPolarHBondContact O-CG 3.18Å; P139-I157 HydrophobicContact CB-CG2 4.22Å; P139-M160 HydrophobicContact CG-CE 4.45Å; P139-M160 HydrophobicContact CG-SD 3.58Å; P139-M160 VanDerWaalsContact CG-SD 3.58Å |
| 140 | G | 91.5 | Very high | 87.7 | Confident | 8 Ų | 8 | 34 Ų | 34 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 138.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | G39 L138 T142 | G39-G140 WeakPolarHBondContact O-CA 3.24Å; L138-G140 PolarHBondContact O-N 3.41Å; G140-T142 PolarHBondContact O-N 3.07Å |
| 141 | M | 90.3 | Very high | 87.6 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -57.8 | 127.8 | 174.1 | -68.8 | -64.1 | -65.6 | 0 | 0 | 110.8 | G39 Q41 E154 I157 R158 I161 D186 L190 | G39-M141 PolarHBondContact O-N 2.95Å; Q41-M141 PolarHBondContact N-O 2.81Å; M141-E154 HydrophobicContact CE-CG 4.44Å; M141-I157 HydrophobicContact SD-CG2 3.76Å; M141-R158 HydrophobicContact CE-CB 4.11Å; M141-R158 HydrophobicContact SD-CB 4.48Å; M141-I161 HydrophobicContact CG-CD1 3.94Å; M141-I161 HydrophobicContact SD-CD1 3.45Å; M141-I161 WeakPolarHBondContact SD-CD1 3.35Å; M141-D186 HydrophobicContact CB-CB 4.28Å; M141-D186 HydrophobicContact CG-CB 4.26Å; M141-L190 HydrophobicContact CE-CD1 4.37Å; M141-L190 HydrophobicContact CG-CD1 4.09Å; M141-L190 HydrophobicContact SD-CD1 3.89Å |
| 142 | T | 86.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | trans | -123.6 | 129.9 | 174.1 | 63.1 | 0 | 0 | 0 | 0 | 110 | Q41 I64 G140 E154 I157 | Q41-T142 HydrophobicContact CB-CG2 4.12Å; Q41-T142 HydrophobicContact CG-CG2 4.39Å; I64-T142 HydrophobicContact CD1-CG2 3.6Å; I64-T142 HydrophobicContact CG1-CG2 3.41Å; I64-T142 VanDerWaalsContact CG1-CG2 3.41Å; G140-T142 PolarHBondContact O-N 3.07Å; T142-E154 WeakPolarHBondContact O-CB 3.4Å; T142-I157 HydrophobicContact CG2-CD1 4.34Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.32Å | ||
| 143 | K | 83.8 | Confident | 87.7 | Confident | 122 Ų | 122 | 38.3 Ų | 38.3 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -89.6 | -17.6 | 179.1 | -64.5 | -179.7 | 177.9 | 172.7 | 0 | 113.5 | D186 | K143-D186 WeakPolarHBondContact CE-OD1 3.49Å; K143-D186 WeakPolarHBondContact CE-OD2 3.49Å; K143-D186 IonicContact NZ-OD1 3.87Å; K143-D186 PolarHBondContact NZ-OD1 3.37Å; K143-D186 IonicContact NZ-OD2 3.68Å; K143-D186 PolarHBondContact NZ-OD2 3.35Å |
| 144 | V | 85.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 42.2 Ų | 42.2 | 62% | 0.618 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -133.7 | 126.1 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 145 | P | 82.2 | Confident | 87.9 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | trans | -63.8 | 137.9 | 174.8 | 25.7 | -32.8 | 0 | 0 | 0 | 110.6 | Q149 I153 | P145-Q149 HydrophobicContact CB-CB 3.83Å; P145-I153 HydrophobicContact CB-CG2 3.78Å | ||
| 146 | V | 80.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | trans | -122.1 | 132.1 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | Q149 | V146-Q149 WeakPolarHBondContact O-CG 3.22Š| ||
| 147 | G | 80.1 | Confident | 87.8 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 65.9 | -133.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q149 | G147-Q149 PolarHBondContact O-N 3.26Å; G147-Q149 VanDerWaalsContact O-N 3.13Å |
| 148 | D | 82.2 | Confident | 87.7 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 66% | 0.658 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -85.2 | 26.2 | -174.9 | -49.7 | -30.2 | 0 | 0 | 0 | 113.5 | ||
| 149 | Q | 82.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | trans | -75.2 | 143.1 | 178.7 | -74.9 | -178.5 | -22.7 | 0 | 0 | 111.2 | K114 P145 V146 G147 I153 | K114-Q149 HydrophobicContact CB-CG 3.56Å; K114-Q149 HydrophobicContact CD-CG 4.47Å; P145-Q149 HydrophobicContact CB-CB 3.83Å; V146-Q149 WeakPolarHBondContact O-CG 3.22Å; G147-Q149 PolarHBondContact O-N 3.26Å; G147-Q149 VanDerWaalsContact O-N 3.13Å; Q149-I153 HydrophobicContact CB-CB 4.44Å; Q149-I153 HydrophobicContact CB-CG1 4.43Å; Q149-I153 HydrophobicContact CB-CG2 4.46Å | ||
| 150 | P | 83.7 | Confident | 87.7 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | trans | -66.1 | 151.4 | 177.5 | 31.4 | -36.8 | 0 | 0 | 0 | 110.7 | D152 I153 | P150-D152 WeakPolarHBondContact CB-OD1 3.41Å; P150-D152 PolarHBondContact O-N 3.16Å; P150-I153 HydrophobicContact CG-CB 4.18Å; P150-I153 HydrophobicContact CG-CD1 4.19Å; P150-I153 VanDerWaalsContact O-CB 3.29Å; P150-I153 WeakPolarHBondContact O-CB 3.39Å; P150-I153 WeakPolarHBondContact O-CG2 3.18Å; P150-I153 PolarHBondContact O-N 3.17Å; P150-I153 VanDerWaalsContact O-N 3.11Å | ||
| 151 | P | 86.6 | Confident | 87.9 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 79% | 0.792 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.7 | -175.5 | 25.3 | -34.3 | 0 | 0 | 0 | 113.4 | ||
| 152 | D | 89.8 | Confident | 88.1 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 15.8 | 178.5 | 66.8 | -42.8 | 0 | 0 | 0 | 113.5 | P150 E154 V155 Q156 | P150-D152 WeakPolarHBondContact CB-OD1 3.41Å; P150-D152 PolarHBondContact O-N 3.16Å; D152-E154 PolarHBondContact O-N 2.87Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-V155 WeakPolarHBondContact O-CA 3.33Å; D152-V155 WeakPolarHBondContact O-CB 3.37Å; D152-V155 PolarHBondContact O-N 3.35Å; D152-Q156 VanDerWaalsContact CG-NE2 3.26Å; D152-Q156 PolarHBondContact O-N 2.89Å; D152-Q156 VanDerWaalsContact O-N 3.08Å; D152-Q156 PolarHBondContact OD1-NE2 3.33Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.08Å; D152-Q156 PolarHBondContact OD2-NE2 2.81Å |
| 153 | I | 88.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.2 | -36.6 | -176.2 | -170.5 | 58.6 | 0 | 0 | 0 | 113.6 | I64 I116 P145 Q149 P150 V155 Q156 I157 | I64-I153 HydrophobicContact CD1-CD1 4.45Å; I64-I153 HydrophobicContact CD1-CG1 4.02Å; I116-I153 HydrophobicContact CD1-CD1 4.1Å; I116-I153 HydrophobicContact CG1-CD1 4.22Å; I116-I153 HydrophobicContact CG2-CD1 3.95Å; P145-I153 HydrophobicContact CB-CG2 3.78Å; Q149-I153 HydrophobicContact CB-CB 4.44Å; Q149-I153 HydrophobicContact CB-CG1 4.43Å; Q149-I153 HydrophobicContact CB-CG2 4.46Å; P150-I153 HydrophobicContact CG-CB 4.18Å; P150-I153 HydrophobicContact CG-CD1 4.19Å; P150-I153 VanDerWaalsContact O-CB 3.29Å; P150-I153 WeakPolarHBondContact O-CB 3.39Å; P150-I153 WeakPolarHBondContact O-CG2 3.18Å; P150-I153 PolarHBondContact O-N 3.17Å; P150-I153 VanDerWaalsContact O-N 3.11Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.9Å; I153-Q156 PolarHBondContact O-N 2.76Å; I153-I157 HydrophobicContact CD1-CD1 4.35Å; I153-I157 HydrophobicContact CD1-CG1 4.25Å; I153-I157 HydrophobicContact CG1-CD1 3.95Å; I153-I157 HydrophobicContact CG1-CG1 4.32Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.22Å; I153-I157 PolarHBondContact O-N 2.87Å |
| 154 | E | 90.7 | Very high | 88.7 | Confident | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.1 | -177.5 | 179.1 | 178.5 | 0 | 0 | 111.3 | M141 T142 D152 R158 | M141-E154 HydrophobicContact CE-CG 4.44Å; T142-E154 WeakPolarHBondContact O-CB 3.4Å; D152-E154 PolarHBondContact O-N 2.87Å; D152-E154 VanDerWaalsContact O-N 3.14Å; E154-R158 VanDerWaalsContact O-CB 3.24Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 PolarHBondContact O-N 2.74Å |
| 155 | V | 92.7 | Very high | 89.1 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 110 | D152 I153 R158 S159 | D152-V155 WeakPolarHBondContact O-CA 3.33Å; D152-V155 WeakPolarHBondContact O-CB 3.37Å; D152-V155 PolarHBondContact O-N 3.35Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.9Å; V155-R158 PolarHBondContact O-N 3.23Å; V155-S159 VanDerWaalsContact O-CB 3.26Å; V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 3.25Å |
| 156 | Q | 92 | Very high | 89.7 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.9 | -61.8 | -176.2 | 22.7 | 0 | 0 | 111.9 | I116 D152 I153 S159 M160 | I116-Q156 HydrophobicContact CD1-CB 3.65Å; I116-Q156 HydrophobicContact CG1-CB 4.34Å; D152-Q156 VanDerWaalsContact CG-NE2 3.26Å; D152-Q156 PolarHBondContact O-N 2.89Å; D152-Q156 VanDerWaalsContact O-N 3.08Å; D152-Q156 PolarHBondContact OD1-NE2 3.33Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.08Å; D152-Q156 PolarHBondContact OD2-NE2 2.81Å; I153-Q156 PolarHBondContact O-N 2.76Å; Q156-S159 PolarHBondContact O-N 3.46Å; Q156-M160 WeakPolarHBondContact O-CB 3.45Å; Q156-M160 PolarHBondContact O-N 3.04Å |
| 157 | I | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 177 | -64 | 165.9 | 0 | 0 | 0 | 110.5 | I64 I116 P139 M141 T142 I153 S159 M160 I161 | I64-I157 HydrophobicContact CD1-CD1 3.36Å; I64-I157 HydrophobicContact CD1-CG1 4.39Å; I116-I157 HydrophobicContact CD1-CB 4.46Å; I116-I157 HydrophobicContact CD1-CG1 3.73Å; P139-I157 HydrophobicContact CB-CG2 4.22Å; M141-I157 HydrophobicContact SD-CG2 3.76Å; T142-I157 HydrophobicContact CG2-CD1 4.34Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.32Å; I153-I157 HydrophobicContact CD1-CD1 4.35Å; I153-I157 HydrophobicContact CD1-CG1 4.25Å; I153-I157 HydrophobicContact CG1-CD1 3.95Å; I153-I157 HydrophobicContact CG1-CG1 4.32Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.22Å; I153-I157 PolarHBondContact O-N 2.87Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.43Å; I157-M160 PolarHBondContact O-N 2.9Å; I157-I161 HydrophobicContact CG2-CD1 3.68Å; I157-I161 HydrophobicContact CG2-CG1 4.3Å; I157-I161 WeakPolarHBondContact O-CG1 3.37Å; I157-I161 PolarHBondContact O-N 3.02Å |
| 158 | R | 94.6 | Very high | 90.6 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 177.8 | -177.3 | 171 | 178.5 | -120.2 | 1.2 | 110.9 | M141 E154 V155 M160 I161 L162 L190 E193 | M141-R158 HydrophobicContact CE-CB 4.11Å; M141-R158 HydrophobicContact SD-CB 4.48Å; E154-R158 VanDerWaalsContact O-CB 3.24Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 PolarHBondContact O-N 2.74Å; V155-R158 PolarHBondContact O-N 3.23Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 2.85Å; R158-I161 PolarHBondContact O-N 3.14Å; R158-L162 HydrophobicContact CG-CD1 3.98Å; R158-L162 HydrophobicContact CG-CG 4.44Å; R158-L162 WeakPolarHBondContact O-CB 3.29Å; R158-L162 VanDerWaalsContact O-CG 3.3Å; R158-L162 WeakPolarHBondContact O-CG 3.37Å; R158-L162 PolarHBondContact O-N 3.17Å; R158-L190 HydrophobicContact CG-CD2 3.98Å; R158-E193 IonicContact CZ-OE2 2.71Å; R158-E193 IonicContact NE-OE2 2.6Å; R158-E193 IonicContact NH2-OE1 3.35Å; R158-E193 PolarHBondContact NH2-OE1 3.33Å; R158-E193 IonicContact NH2-OE2 2.78Å; R158-E193 PolarHBondContact NH2-OE2 3.25Å |
| 159 | S | 94 | Very high | 90.9 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.7 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | V155 Q156 I157 L162 E163 | V155-S159 VanDerWaalsContact O-CB 3.26Å; V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 3.25Å; Q156-S159 PolarHBondContact O-N 3.46Å; I157-S159 VanDerWaalsContact C-N 3.33Å; I157-S159 PolarHBondContact O-N 3.43Å; S159-L162 PolarHBondContact O-N 3.41Å; S159-E163 PolarHBondContact O-N 3.37Å; S159-E163 VanDerWaalsContact O-N 3.08Å |
| 160 | M | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.2 | -177.3 | -167.3 | -69.1 | 0 | 0 | 111.3 | P69 I116 S117 N118 P139 Q156 I157 R158 L162 E163 F164 | P69-M160 HydrophobicContact CG-CG 4.38Å; P69-M160 HydrophobicContact CG-SD 3.83Å; I116-M160 HydrophobicContact CB-CE 3.9Å; I116-M160 HydrophobicContact CD1-CE 3.65Å; I116-M160 HydrophobicContact CG1-CE 3.84Å; S117-M160 VanDerWaalsContact C-CE 3.44Å; S117-M160 VanDerWaalsContact O-CE 3.3Å; S117-M160 WeakPolarHBondContact O-CE 3.31Å; N118-M160 WeakPolarHBondContact OD1-CE 3.47Å; P139-M160 HydrophobicContact CG-CE 4.45Å; P139-M160 HydrophobicContact CG-SD 3.58Å; P139-M160 VanDerWaalsContact CG-SD 3.58Å; Q156-M160 WeakPolarHBondContact O-CB 3.45Å; Q156-M160 PolarHBondContact O-N 3.04Å; I157-M160 PolarHBondContact O-N 2.9Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 2.85Å; M160-L162 VanDerWaalsContact C-N 3.32Å; M160-L162 PolarHBondContact O-N 3.43Å; M160-E163 VanDerWaalsContact O-CB 3.29Å; M160-E163 WeakPolarHBondContact O-CB 3.17Å; M160-E163 PolarHBondContact O-N 3.06Å; M160-F164 HydrophobicContact CG-CE2 4.36Å; M160-F164 VanDerWaalsContact O-CD2 3.29Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å |
| 161 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 179 | -69.9 | 165.9 | 0 | 0 | 0 | 110.6 | V38 L138 M141 I157 R158 E163 F164 I165 L190 | V38-I161 HydrophobicContact CG1-CD1 4.44Å; V38-I161 HydrophobicContact CG1-CG2 4.02Å; V38-I161 HydrophobicContact CG2-CG2 3.88Å; L138-I161 HydrophobicContact CB-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CB 4.46Å; L138-I161 HydrophobicContact CD1-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CG2 4.26Å; M141-I161 HydrophobicContact CG-CD1 3.94Å; M141-I161 HydrophobicContact SD-CD1 3.45Å; M141-I161 WeakPolarHBondContact SD-CD1 3.35Å; I157-I161 HydrophobicContact CG2-CD1 3.68Å; I157-I161 HydrophobicContact CG2-CG1 4.3Å; I157-I161 WeakPolarHBondContact O-CG1 3.37Å; I157-I161 PolarHBondContact O-N 3.02Å; R158-I161 PolarHBondContact O-N 3.14Å; I161-E163 VanDerWaalsContact C-N 3.25Å; I161-E163 PolarHBondContact O-N 2.61Å; I161-F164 PolarHBondContact O-N 2.86Å; I161-F164 VanDerWaalsContact O-N 3.08Å; I161-I165 HydrophobicContact CG2-CD1 3.75Å; I161-I165 HydrophobicContact CG2-CG1 4.06Å; I161-I165 HydrophobicContact CG2-CG2 4.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.14Å; I161-I165 PolarHBondContact O-N 3.47Å; I161-L190 HydrophobicContact CD1-CD1 4.31Å; I161-L190 HydrophobicContact CG2-CD1 4.12Å |
| 162 | L | 94.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.199 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -32.7 | 179.3 | -74.2 | 173.4 | 0 | 0 | 0 | 112.5 | R158 S159 M160 F164 I165 T166 V194 | R158-L162 HydrophobicContact CG-CD1 3.98Å; R158-L162 HydrophobicContact CG-CG 4.44Å; R158-L162 WeakPolarHBondContact O-CB 3.29Å; R158-L162 VanDerWaalsContact O-CG 3.3Å; R158-L162 WeakPolarHBondContact O-CG 3.37Å; R158-L162 PolarHBondContact O-N 3.17Å; S159-L162 PolarHBondContact O-N 3.41Å; M160-L162 VanDerWaalsContact C-N 3.32Å; M160-L162 PolarHBondContact O-N 3.43Å; L162-F164 PolarHBondContact O-N 2.85Å; L162-I165 HydrophobicContact CD2-CD1 4.29Å; L162-I165 HydrophobicContact CD2-CG1 4.26Å; L162-T166 WeakPolarHBondContact O-CB 3.35Å; L162-T166 PolarHBondContact O-N 3.5Å; L162-T166 PolarHBondContact O-OG1 3.02Å; L162-V194 HydrophobicContact CD2-CG1 3.77Å |
| 163 | E | 91.4 | Very high | 92.8 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.2 | -37.6 | 174.3 | -166.2 | 179.1 | 165.8 | 0 | 0 | 112.2 | N118 S159 M160 I161 | N118-E163 PolarHBondContact ND2-OE2 2.89Å; S159-E163 PolarHBondContact O-N 3.37Å; S159-E163 VanDerWaalsContact O-N 3.08Å; M160-E163 VanDerWaalsContact O-CB 3.29Å; M160-E163 WeakPolarHBondContact O-CB 3.17Å; M160-E163 PolarHBondContact O-N 3.06Å; I161-E163 VanDerWaalsContact C-N 3.25Å; I161-E163 PolarHBondContact O-N 2.61Å |
| 164 | F | 91.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -85.2 | -48.7 | 178.1 | -67.9 | -92.3 | 0 | 0 | 0 | 112.7 | P69 I136 L138 M160 I161 L162 C170 | P69-F164 HydrophobicContact CB-CE2 4.25Å; P69-F164 HydrophobicContact CB-CZ 3.9Å; P69-F164 HydrophobicContact CG-CE2 3.74Å; P69-F164 HydrophobicContact CG-CZ 3.76Å; I136-F164 HydrophobicContact CD1-CD1 3.99Å; I136-F164 HydrophobicContact CD1-CE1 4.19Å; I136-F164 HydrophobicContact CG2-CD1 4.42Å; I136-F164 HydrophobicContact CG2-CE1 4.37Å; L138-F164 HydrophobicContact CD1-CB 4.19Å; L138-F164 HydrophobicContact CD1-CG 4.48Å; L138-F164 HydrophobicContact CD2-CD2 3.65Å; L138-F164 HydrophobicContact CD2-CE2 3.91Å; L138-F164 HydrophobicContact CD2-CG 4.02Å; L138-F164 HydrophobicContact CD2-CZ 4.45Å; M160-F164 HydrophobicContact CG-CE2 4.36Å; M160-F164 VanDerWaalsContact O-CD2 3.29Å; M160-F164 WeakPolarHBondContact O-CD2 3.47Å; I161-F164 PolarHBondContact O-N 2.86Å; I161-F164 VanDerWaalsContact O-N 3.08Å; L162-F164 PolarHBondContact O-N 2.85Å; F164-C170 WeakPolarHBondContact O-CB 3.46Å |
| 165 | I | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -84 | -16.4 | -169.2 | 68.8 | 170 | 0 | 0 | 0 | 114.5 | A36 V38 I161 L162 Q167 I172 L190 V194 R200 | A36-I165 HydrophobicContact CB-CG2 3.97Å; V38-I165 HydrophobicContact CG2-CG2 3.76Å; I161-I165 HydrophobicContact CG2-CD1 3.75Å; I161-I165 HydrophobicContact CG2-CG1 4.06Å; I161-I165 HydrophobicContact CG2-CG2 4.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.14Å; I161-I165 PolarHBondContact O-N 3.47Å; L162-I165 HydrophobicContact CD2-CD1 4.29Å; L162-I165 HydrophobicContact CD2-CG1 4.26Å; I165-Q167 PolarHBondContact O-N 3.17Å; I165-I172 HydrophobicContact CB-CD1 4.01Å; I165-I172 HydrophobicContact CB-CG1 4.12Å; I165-I172 HydrophobicContact CD1-CD1 4.47Å; I165-I172 HydrophobicContact CG2-CD1 4.49Å; I165-I172 HydrophobicContact CG2-CG1 4.15Å; I165-L190 HydrophobicContact CD1-CB 4.03Å; I165-V194 HydrophobicContact CB-CG2 4.29Å; I165-V194 HydrophobicContact CD1-CG2 3.89Å; I165-V194 HydrophobicContact CG1-CG1 4.39Å; I165-V194 HydrophobicContact CG1-CG2 3.97Å; I165-V194 WeakPolarHBondContact O-CG2 3.27Å; I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 3.29Å; I165-R200 PolarHBondContact O-NH2 3.01Å |
| 166 | T | 94.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 36.1 Ų | 36.1 | 47% | 0.466 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.6 | 174.2 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L162 E168 | L162-T166 WeakPolarHBondContact O-CB 3.35Å; L162-T166 PolarHBondContact O-N 3.5Å; L162-T166 PolarHBondContact O-OG1 3.02Å; T166-E168 PolarHBondContact O-N 3.27Å |
| 167 | Q | 90.6 | Very high | 93.9 | Very high | 69 Ų | 69 | 33.8 Ų | 33.8 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -64.7 | 125.6 | 177.7 | -53.6 | -55.8 | -13.4 | 0 | 0 | 111.2 | D31 I165 N169 C170 R200 | D31-Q167 HydrophobicContact CB-CB 4.36Å; D31-Q167 VanDerWaalsContact CG-OE1 3.28Å; D31-Q167 PolarHBondContact OD1-OE1 2.98Å; I165-Q167 PolarHBondContact O-N 3.17Å; Q167-N169 PolarHBondContact O-N 3.3Å; Q167-C170 HydrophobicContact CB-CB 4.29Å; Q167-C170 VanDerWaalsContact O-CB 3.32Å; Q167-C170 WeakPolarHBondContact O-CB 3.46Å; Q167-C170 PolarHBondContact O-N 3.47Å; Q167-R200 PolarHBondContact O-NH1 3.29Å |
| 168 | E | 89 | Confident | 94 | Very high | 163 Ų | 163 | 34.2 Ų | 34.2 | 76% | 0.762 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.1 | -179.6 | -63.9 | -175.5 | 170.1 | 0 | 0 | 112.4 | T166 C170 R200 | T166-E168 PolarHBondContact O-N 3.27Å; E168-C170 PolarHBondContact O-N 3.42Å; E168-R200 WeakPolarHBondContact O-CD 3.33Å |
| 169 | N | 89.3 | Confident | 93.8 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2 | 176 | -66 | -19.1 | 0 | 0 | 0 | 113.5 | D31 P33 Q34 Q167 H289 T293 | D31-N169 HydrophobicContact CB-CB 4.14Å; D31-N169 WeakPolarHBondContact O-CB 3.08Å; D31-N169 PolarHBondContact O-ND2 3.04Å; P33-N169 WeakPolarHBondContact CA-O 3.27Å; Q34-N169 PolarHBondContact N-O 3.09Å; Q167-N169 PolarHBondContact O-N 3.3Å; N169-H289 VanDerWaalsContact C-NE2 3.3Å; N169-H289 PolarHBondContact O-NE2 2.85Å; N169-T293 HydrophobicContact CB-CG2 4.49Å; N169-T293 VanDerWaalsContact OD1-CG2 3.26Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.25Å |
| 170 | C | 92.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.2 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | Q34 A36 F164 Q167 E168 R200 | Q34-C170 HydrophobicContact CG-CB 4.49Å; A36-C170 WeakPolarHBondContact CB-SG 3.5Å; F164-C170 WeakPolarHBondContact O-CB 3.46Å; Q167-C170 HydrophobicContact CB-CB 4.29Å; Q167-C170 VanDerWaalsContact O-CB 3.32Å; Q167-C170 WeakPolarHBondContact O-CB 3.46Å; Q167-C170 PolarHBondContact O-N 3.47Å; E168-C170 PolarHBondContact O-N 3.42Å; C170-R200 WeakPolarHBondContact O-CD 3.29Å; C170-R200 PolarHBondContact O-NH1 2.94Å |
| 171 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 137.3 | 165.6 | -60.8 | -178.4 | 0 | 0 | 0 | 109.5 | Q34 I35 A36 R200 Q285 H289 | Q34-L171 PolarHBondContact O-N 2.82Å; I35-L171 CarbonylContact C-O 3.57Å; I35-L171 WeakPolarHBondContact CA-O 3.43Å; I35-L171 HydrophobicContact CD1-CD1 4.47Å; I35-L171 HydrophobicContact CG1-CB 4.13Å; I35-L171 HydrophobicContact CG1-CD1 4.21Å; A36-L171 PolarHBondContact N-O 2.98Å; L171-R200 WeakPolarHBondContact CA-O 3.33Å; L171-R200 HydrophobicContact CD2-CB 3.84Å; L171-Q285 HydrophobicContact CD1-CB 4.26Å; L171-H289 HydrophobicContact CD1-CB 3.99Å; L171-H289 HydrophobicContact CD2-CB 4.43Å; L171-H289 HydrophobicContact CG-CB 4.37Å |
| 172 | I | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.9 | -177.5 | -53.6 | 173 | 0 | 0 | 0 | 108.9 | V38 I165 V194 D195 R200 T201 I202 | V38-I172 HydrophobicContact CB-CG2 4.46Å; V38-I172 HydrophobicContact CG2-CG2 4.24Å; I165-I172 HydrophobicContact CB-CD1 4.01Å; I165-I172 HydrophobicContact CB-CG1 4.12Å; I165-I172 HydrophobicContact CD1-CD1 4.47Å; I165-I172 HydrophobicContact CG2-CD1 4.49Å; I165-I172 HydrophobicContact CG2-CG1 4.15Å; I172-V194 HydrophobicContact CD1-CG2 3.61Å; I172-D195 HydrophobicContact CD1-CB 4.47Å; I172-R200 PolarHBondContact N-O 3.3Å; I172-T201 HydrophobicContact CB-CG2 4.38Å; I172-T201 HydrophobicContact CG2-CG2 4.48Å; I172-T201 CarbonylContact O-C 3.42Å; I172-T201 WeakPolarHBondContact O-CA 3.21Å; I172-I202 PolarHBondContact O-N 3.13Å |
| 173 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 94.1 | 169.6 | -168.2 | 66.1 | 0 | 0 | 0 | 109.1 | I35 A36 V37 V38 V175 I202 V204 L278 L282 | I35-L173 HydrophobicContact CG2-CB 3.86Å; A36-L173 PolarHBondContact O-N 3.37Å; V37-L173 HydrophobicContact CG1-CD2 4.29Å; V37-L173 HydrophobicContact CG2-CB 4.32Å; V37-L173 HydrophobicContact CG2-CD2 3.97Å; V38-L173 PolarHBondContact N-O 3.23Å; L173-V175 HydrophobicContact CG-CG2 4.45Å; L173-V175 PolarHBondContact O-N 3.08Å; L173-I202 HydrophobicContact CD1-CB 3.92Å; L173-I202 HydrophobicContact CD1-CG2 3.84Å; L173-V204 HydrophobicContact CD1-CG2 3.37Å; L173-V204 HydrophobicContact CD2-CG2 4.41Å; L173-V204 HydrophobicContact CG-CG2 3.89Å; L173-L278 HydrophobicContact CD1-CD1 4.42Å; L173-L282 HydrophobicContact CD1-CD1 4.35Å; L173-L282 HydrophobicContact CD1-CD2 3.71Å; L173-L282 HydrophobicContact CD2-CD1 3.89Å |
| 174 | A | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 102.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A187 L188 T201 I202 V204 | A174-A187 HydrophobicContact CB-CB 4.13Å; A174-L188 HydrophobicContact CB-CD2 3.8Å; A174-L188 HydrophobicContact CB-CG 4.41Å; A174-T201 HydrophobicContact CB-CG2 4.01Å; A174-I202 PolarHBondContact N-O 2.98Å; A174-V204 PolarHBondContact O-N 3.18Å |
| 175 | V | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.1 | -177.6 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | V37 V38 G39 A43 K45 L173 V204 T206 | V37-V175 HydrophobicContact CG1-CG2 3.61Å; V38-V175 PolarHBondContact O-N 3.34Å; G39-V175 WeakPolarHBondContact CA-O 3.43Å; A43-V175 HydrophobicContact CB-CG1 4.26Å; K45-V175 HydrophobicContact CG-CB 4.08Å; K45-V175 HydrophobicContact CG-CG1 4.41Å; K45-V175 HydrophobicContact CG-CG2 4.15Å; L173-V175 HydrophobicContact CG-CG2 4.45Å; L173-V175 PolarHBondContact O-N 3.08Å; V175-V204 WeakPolarHBondContact CA-O 3.26Å; V175-V204 HydrophobicContact CG2-CB 4.28Å; V175-T206 HydrophobicContact CG1-CG2 3.54Å |
| 176 | S | 96 | Very high | 92.5 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.7 | 179.1 | -55 | 0 | 0 | 0 | 0 | 110.8 | S185 V204 V205 T206 | S176-S185 WeakPolarHBondContact OG-CB 3.3Å; S176-S185 PolarHBondContact OG-OG 2.97Å; S176-V204 PolarHBondContact N-O 3.09Å; S176-V205 WeakPolarHBondContact O-CA 3.25Å; S176-T206 PolarHBondContact O-N 3.48Å |
| 177 | P | 95.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.6 | 175.3 | 29.5 | -27 | 0 | 0 | 0 | 111.4 | N179 S180 T206 K207 | P177-N179 VanDerWaalsContact C-N 3.3Å; P177-N179 WeakPolarHBondContact CB-OD1 3.27Å; P177-N179 PolarHBondContact O-N 3.5Å; P177-S180 WeakPolarHBondContact CG-OG 3.49Å; P177-S180 PolarHBondContact O-N 2.96Å; P177-S180 PolarHBondContact O-OG 3.1Å; P177-T206 WeakPolarHBondContact CA-OG1 3.38Å; P177-K207 HydrophobicContact CB-CB 4.43Å; P177-K207 HydrophobicContact CB-CD 3.79Å; P177-K207 HydrophobicContact CB-CG 4.22Å |
| 178 | A | 94 | Very high | 92.7 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S180 V205 T206 L208 M211 A217 | A178-S180 PolarHBondContact O-N 3.25Å; A178-V205 HydrophobicContact CB-CG1 3.61Å; A178-T206 WeakPolarHBondContact CB-O 3.2Å; A178-T206 PolarHBondContact N-O 2.93Å; A178-L208 HydrophobicContact CB-CD2 3.67Å; A178-L208 HydrophobicContact CB-CG 4.08Å; A178-M211 HydrophobicContact CB-CE 4.43Å; A178-M211 HydrophobicContact CB-CG 3.88Å; A178-M211 HydrophobicContact CB-SD 3.69Å; A178-A217 HydrophobicContact CB-CB 4.47Å |
| 179 | N | 90.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 47% | 0.471 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 7.9 | 179.7 | 73.9 | -30.2 | 0 | 0 | 0 | 113.3 | P177 | P177-N179 VanDerWaalsContact C-N 3.3Å; P177-N179 WeakPolarHBondContact CB-OD1 3.27Å; P177-N179 PolarHBondContact O-N 3.5Å |
| 180 | S | 88.1 | Confident | 93.2 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -122.8 | 148.8 | 169 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | P177 A178 L182 | P177-S180 WeakPolarHBondContact CG-OG 3.49Å; P177-S180 PolarHBondContact O-N 2.96Å; P177-S180 PolarHBondContact O-OG 3.1Å; A178-S180 PolarHBondContact O-N 3.25Å; S180-L182 PolarHBondContact O-N 2.86Å |
| 181 | D | 87.8 | Confident | 93.3 | Very high | 95 Ų | 95 | 31.8 Ų | 31.8 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | trans | -57.9 | 127.6 | 173.4 | -177.5 | 8.7 | 0 | 0 | 0 | 110.7 | A183 N184 | D181-A183 PolarHBondContact O-N 3.24Å; D181-A183 PolarHBondContact OD1-N 3.33Å; D181-N184 PolarHBondContact O-N 3.17Å | ||
| 182 | L | 89.3 | Confident | 93.2 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -59.3 | -31.9 | -178.3 | -167.7 | 71.4 | 0 | 0 | 0 | 111.7 | S180 N184 S185 L188 I220 L225 L226 Y232 | S180-L182 PolarHBondContact O-N 2.86Å; L182-N184 PolarHBondContact O-N 3.12Å; L182-N184 VanDerWaalsContact O-N 3.16Å; L182-S185 WeakPolarHBondContact O-CB 3.45Å; L182-S185 PolarHBondContact O-N 2.82Å; L182-L188 HydrophobicContact CD1-CD1 3.5Å; L182-L188 VanDerWaalsContact CD1-CD1 3.5Å; L182-L188 HydrophobicContact CD2-CD1 4.14Å; L182-L188 HydrophobicContact CG-CD1 3.64Å; L182-I220 HydrophobicContact CB-CD1 3.93Å; L182-I220 HydrophobicContact CD1-CD1 4.39Å; L182-I220 HydrophobicContact CD1-CG2 4.24Å; L182-I220 HydrophobicContact CD2-CB 4.39Å; L182-I220 HydrophobicContact CD2-CD1 4.14Å; L182-I220 HydrophobicContact CD2-CG1 3.98Å; L182-I220 HydrophobicContact CD2-CG2 3.69Å; L182-I220 HydrophobicContact CG-CD1 4.38Å; L182-L225 HydrophobicContact CB-CD2 4.04Å; L182-L225 HydrophobicContact CD2-CD2 3.98Å; L182-L226 HydrophobicContact CD2-CB 4.14Å; L182-Y232 HydrophobicContact CD2-CE1 4.37Å |
| 183 | A | 86.7 | Confident | 93.1 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 69% | 0.694 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -61.4 | -22.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D181 | D181-A183 PolarHBondContact O-N 3.24Å; D181-A183 PolarHBondContact OD1-N 3.33Å |
| 184 | N | 89.5 | Confident | 93 | Very high | 116 Ų | 116 | 42 Ų | 42 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -93 | 9.6 | 176.9 | -66.8 | -50.5 | 0 | 0 | 0 | 113.3 | D181 L182 D186 | D181-N184 PolarHBondContact O-N 3.17Å; L182-N184 PolarHBondContact O-N 3.12Å; L182-N184 VanDerWaalsContact O-N 3.16Å; N184-D186 PolarHBondContact O-N 2.85Å |
| 185 | S | 92.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | trans | -71.6 | 110.6 | -179.7 | 180 | 0 | 0 | 0 | 0 | 111.9 | S176 L182 A187 L188 K189 | S176-S185 WeakPolarHBondContact OG-CB 3.3Å; S176-S185 PolarHBondContact OG-OG 2.97Å; L182-S185 WeakPolarHBondContact O-CB 3.45Å; L182-S185 PolarHBondContact O-N 2.82Å; S185-A187 PolarHBondContact O-N 3.38Å; S185-A187 PolarHBondContact OG-N 2.92Å; S185-L188 PolarHBondContact O-N 3.11Å; S185-L188 PolarHBondContact OG-N 3.16Å; S185-K189 PolarHBondContact O-N 2.85Å | ||
| 186 | D | 92.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -31.4 | 174 | -59.3 | -43 | 0 | 0 | 0 | 111.6 | M141 K143 N184 L190 | M141-D186 HydrophobicContact CB-CB 4.28Å; M141-D186 HydrophobicContact CG-CB 4.26Å; K143-D186 WeakPolarHBondContact CE-OD1 3.49Å; K143-D186 WeakPolarHBondContact CE-OD2 3.49Å; K143-D186 IonicContact NZ-OD1 3.87Å; K143-D186 PolarHBondContact NZ-OD1 3.37Å; K143-D186 IonicContact NZ-OD2 3.68Å; K143-D186 PolarHBondContact NZ-OD2 3.35Å; N184-D186 PolarHBondContact O-N 2.85Å; D186-L190 WeakPolarHBondContact O-CG 3.45Å; D186-L190 PolarHBondContact O-N 2.74Å |
| 187 | A | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V38 A174 S185 L190 S191 | V38-A187 HydrophobicContact CG1-CB 4.11Å; A174-A187 HydrophobicContact CB-CB 4.13Å; S185-A187 PolarHBondContact O-N 3.38Å; S185-A187 PolarHBondContact OG-N 2.92Å; A187-L190 PolarHBondContact O-N 2.68Å; A187-S191 WeakPolarHBondContact O-CB 3.45Å; A187-S191 PolarHBondContact O-N 3.32Å; A187-S191 PolarHBondContact O-OG 3.09Å |
| 188 | L | 94.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73 | -33.1 | 178.9 | -68.3 | 170.6 | 0 | 0 | 0 | 111.9 | A174 L182 S185 S191 K192 L226 L228 Y232 | A174-L188 HydrophobicContact CB-CD2 3.8Å; A174-L188 HydrophobicContact CB-CG 4.41Å; L182-L188 HydrophobicContact CD1-CD1 3.5Å; L182-L188 VanDerWaalsContact CD1-CD1 3.5Å; L182-L188 HydrophobicContact CD2-CD1 4.14Å; L182-L188 HydrophobicContact CG-CD1 3.64Å; S185-L188 PolarHBondContact O-N 3.11Å; S185-L188 PolarHBondContact OG-N 3.16Å; L188-S191 VanDerWaalsContact CA-OG 3.31Å; L188-S191 WeakPolarHBondContact CA-OG 3.46Å; L188-S191 PolarHBondContact O-N 3.17Å; L188-S191 PolarHBondContact O-OG 2.98Å; L188-K192 VanDerWaalsContact O-CB 3.31Å; L188-K192 WeakPolarHBondContact O-CB 3.42Å; L188-K192 PolarHBondContact O-N 3.39Å; L188-L226 HydrophobicContact CB-CD2 4.13Å; L188-L226 HydrophobicContact CD1-CD2 3.87Å; L188-L226 HydrophobicContact CD2-CD2 4.33Å; L188-L226 HydrophobicContact CG-CD2 4.34Å; L188-L228 HydrophobicContact CD2-CD1 4.1Å; L188-Y232 HydrophobicContact CD1-CE1 4.37Å |
| 189 | K | 94.3 | Very high | 92 | Very high | 137 Ų | 137 | 54.7 Ų | 54.7 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.7 | -51.9 | 171.4 | -176.4 | -179.2 | 176.5 | -176.6 | 0 | 110.9 | S185 S191 K192 E193 | S185-K189 PolarHBondContact O-N 2.85Å; K189-S191 PolarHBondContact O-N 3.33Å; K189-K192 PolarHBondContact O-N 2.94Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 2.68Å; K189-E193 VanDerWaalsContact O-N 3.12Å |
| 190 | L | 94.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.9 | -71.3 | 174.6 | 0 | 0 | 0 | 111.9 | V38 M141 R158 I161 I165 D186 A187 K192 E193 V194 | V38-L190 HydrophobicContact CG1-CD1 4.23Å; M141-L190 HydrophobicContact CE-CD1 4.37Å; M141-L190 HydrophobicContact CG-CD1 4.09Å; M141-L190 HydrophobicContact SD-CD1 3.89Å; R158-L190 HydrophobicContact CG-CD2 3.98Å; I161-L190 HydrophobicContact CD1-CD1 4.31Å; I161-L190 HydrophobicContact CG2-CD1 4.12Å; I165-L190 HydrophobicContact CD1-CB 4.03Å; D186-L190 WeakPolarHBondContact O-CG 3.45Å; D186-L190 PolarHBondContact O-N 2.74Å; A187-L190 PolarHBondContact O-N 2.68Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.81Å; L190-E193 WeakPolarHBondContact O-CB 3.26Å; L190-E193 PolarHBondContact O-N 3.28Å; L190-V194 PolarHBondContact O-N 3.17Å |
| 191 | S | 94.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 177 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | A187 L188 K189 E193 V194 D195 | A187-S191 WeakPolarHBondContact O-CB 3.45Å; A187-S191 PolarHBondContact O-N 3.32Å; A187-S191 PolarHBondContact O-OG 3.09Å; L188-S191 VanDerWaalsContact CA-OG 3.31Å; L188-S191 WeakPolarHBondContact CA-OG 3.46Å; L188-S191 PolarHBondContact O-N 3.17Å; L188-S191 PolarHBondContact O-OG 2.98Å; K189-S191 PolarHBondContact O-N 3.33Å; S191-E193 VanDerWaalsContact C-N 3.3Å; S191-E193 PolarHBondContact O-N 3.3Å; S191-V194 PolarHBondContact O-N 2.9Å; S191-D195 CarbonylContact O-C 3.57Å; S191-D195 VanDerWaalsContact O-CA 3.29Å; S191-D195 WeakPolarHBondContact O-CA 3.16Å; S191-D195 WeakPolarHBondContact O-CB 3.39Å; S191-D195 PolarHBondContact O-N 3.37Å |
| 192 | K | 93.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -28.8 | 177.9 | -163.3 | 73.7 | 171.5 | -178.4 | 0 | 112.6 | L188 K189 L190 P196 | L188-K192 VanDerWaalsContact O-CB 3.31Å; L188-K192 WeakPolarHBondContact O-CB 3.42Å; L188-K192 PolarHBondContact O-N 3.39Å; K189-K192 PolarHBondContact O-N 2.94Å; L190-K192 VanDerWaalsContact C-N 3.33Å; L190-K192 PolarHBondContact O-N 2.81Å; K192-P196 WeakPolarHBondContact CD-O 3.33Å; K192-P196 WeakPolarHBondContact CE-O 3.39Å; K192-P196 PolarHBondContact NZ-O 2.82Å; K192-P196 WeakPolarHBondContact O-CA 3.24Å; K192-P196 WeakPolarHBondContact O-CG 3.33Å |
| 193 | E | 94.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 174.2 | -72.3 | 174.8 | -162.3 | 0 | 0 | 112.2 | R158 K189 L190 S191 | R158-E193 IonicContact CZ-OE2 2.71Å; R158-E193 IonicContact NE-OE2 2.6Å; R158-E193 IonicContact NH2-OE1 3.35Å; R158-E193 PolarHBondContact NH2-OE1 3.33Å; R158-E193 IonicContact NH2-OE2 2.78Å; R158-E193 PolarHBondContact NH2-OE2 3.25Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 2.68Å; K189-E193 VanDerWaalsContact O-N 3.12Å; L190-E193 WeakPolarHBondContact O-CB 3.26Å; L190-E193 PolarHBondContact O-N 3.28Å; S191-E193 VanDerWaalsContact C-N 3.3Å; S191-E193 PolarHBondContact O-N 3.3Å |
| 194 | V | 95.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -107.6 | -13.3 | -175.7 | -58 | 0 | 0 | 0 | 0 | 114.7 | L162 I165 I172 L190 S191 R200 | L162-V194 HydrophobicContact CD2-CG1 3.77Å; I165-V194 HydrophobicContact CB-CG2 4.29Å; I165-V194 HydrophobicContact CD1-CG2 3.89Å; I165-V194 HydrophobicContact CG1-CG1 4.39Å; I165-V194 HydrophobicContact CG1-CG2 3.97Å; I165-V194 WeakPolarHBondContact O-CG2 3.27Å; I172-V194 HydrophobicContact CD1-CG2 3.61Å; L190-V194 PolarHBondContact O-N 3.17Å; S191-V194 PolarHBondContact O-N 2.9Å; V194-R200 PolarHBondContact O-NH2 2.96Å |
| 195 | D | 95 | Very high | 94.2 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | trans | -140.8 | 69.9 | 177.5 | 179.5 | 24.2 | 0 | 0 | 0 | 109.3 | I172 S191 Q197 G198 L199 R200 T201 | I172-D195 HydrophobicContact CD1-CB 4.47Å; S191-D195 CarbonylContact O-C 3.57Å; S191-D195 VanDerWaalsContact O-CA 3.29Å; S191-D195 WeakPolarHBondContact O-CA 3.16Å; S191-D195 WeakPolarHBondContact O-CB 3.39Å; S191-D195 PolarHBondContact O-N 3.37Å; D195-Q197 PolarHBondContact O-N 3.41Å; D195-Q197 VanDerWaalsContact O-N 3.12Å; D195-G198 PolarHBondContact O-N 3.35Å; D195-G198 PolarHBondContact OD1-N 3.09Å; D195-G198 VanDerWaalsContact OD2-CA 3.24Å; D195-G198 WeakPolarHBondContact OD2-CA 3.48Å; D195-L199 VanDerWaalsContact CG-N 3.32Å; D195-L199 PolarHBondContact OD1-N 3.3Å; D195-L199 PolarHBondContact OD2-N 2.68Å; D195-R200 HydrophobicContact CB-CG 4.08Å; D195-R200 WeakPolarHBondContact OD2-CG 3.34Å; D195-R200 PolarHBondContact OD2-N 2.82Å; D195-T201 WeakPolarHBondContact OD2-CB 3.29Å; D195-T201 PolarHBondContact OD2-N 3.15Å; D195-T201 PolarHBondContact OD2-OG1 2.57Å | ||
| 196 | P | 92.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 34.1 Ų | 34.1 | 51% | 0.513 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.4 | -174.9 | -24.7 | 34.2 | 0 | 0 | 0 | 113.8 | K192 | K192-P196 WeakPolarHBondContact CD-O 3.33Å; K192-P196 WeakPolarHBondContact CE-O 3.39Å; K192-P196 PolarHBondContact NZ-O 2.82Å; K192-P196 WeakPolarHBondContact O-CA 3.24Å; K192-P196 WeakPolarHBondContact O-CG 3.33Å |
| 197 | Q | 89.8 | Confident | 94.5 | Very high | 142 Ų | 142 | 35.5 Ų | 35.5 | 66% | 0.664 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.6 | 179.2 | -70 | -179.2 | -4.7 | 0 | 0 | 113.1 | D195 L199 | D195-Q197 PolarHBondContact O-N 3.41Å; D195-Q197 VanDerWaalsContact O-N 3.12Å; Q197-L199 HydrophobicContact CB-CD1 4.24Å; Q197-L199 HydrophobicContact CB-CD2 4.11Å; Q197-L199 HydrophobicContact CB-CG 3.72Å; Q197-L199 PolarHBondContact O-N 2.89Å |
| 198 | G | 91.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | 59.3 | 32.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D195 R229 | D195-G198 PolarHBondContact O-N 3.35Å; D195-G198 PolarHBondContact OD1-N 3.09Å; D195-G198 VanDerWaalsContact OD2-CA 3.24Å; D195-G198 WeakPolarHBondContact OD2-CA 3.48Å; G198-R229 VanDerWaalsContact O-CB 3.29Å; G198-R229 WeakPolarHBondContact O-CB 3.32Å; G198-R229 PolarHBondContact O-N 3.41Å | ||
| 199 | L | 91.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -74.6 | -35.5 | -174.7 | -64 | -177.5 | 0 | 0 | 0 | 112.8 | D195 Q197 R230 | D195-L199 VanDerWaalsContact CG-N 3.32Å; D195-L199 PolarHBondContact OD1-N 3.3Å; D195-L199 PolarHBondContact OD2-N 2.68Å; Q197-L199 HydrophobicContact CB-CD1 4.24Å; Q197-L199 HydrophobicContact CB-CD2 4.11Å; Q197-L199 HydrophobicContact CB-CG 3.72Å; Q197-L199 PolarHBondContact O-N 2.89Å; L199-R230 PolarHBondContact O-NE 2.88Å; L199-R230 PolarHBondContact O-NH2 3.4Å |
| 200 | R | 93.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -116.1 | 3.9 | -175.8 | 61.3 | -175.2 | 179.2 | 92.3 | 0.9 | 112.9 | I165 Q167 E168 C170 L171 I172 V194 D195 | I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 3.29Å; I165-R200 PolarHBondContact O-NH2 3.01Å; Q167-R200 PolarHBondContact O-NH1 3.29Å; E168-R200 WeakPolarHBondContact O-CD 3.33Å; C170-R200 WeakPolarHBondContact O-CD 3.29Å; C170-R200 PolarHBondContact O-NH1 2.94Å; L171-R200 WeakPolarHBondContact CA-O 3.33Å; L171-R200 HydrophobicContact CD2-CB 3.84Å; I172-R200 PolarHBondContact N-O 3.3Å; V194-R200 PolarHBondContact O-NH2 2.96Å; D195-R200 HydrophobicContact CB-CG 4.08Å; D195-R200 WeakPolarHBondContact OD2-CG 3.34Å; D195-R200 PolarHBondContact OD2-N 2.82Å |
| 201 | T | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.5 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I172 A174 D195 L228 | I172-T201 HydrophobicContact CB-CG2 4.38Å; I172-T201 HydrophobicContact CG2-CG2 4.48Å; I172-T201 CarbonylContact O-C 3.42Å; I172-T201 WeakPolarHBondContact O-CA 3.21Å; A174-T201 HydrophobicContact CB-CG2 4.01Å; D195-T201 WeakPolarHBondContact OD2-CB 3.29Å; D195-T201 PolarHBondContact OD2-N 3.15Å; D195-T201 PolarHBondContact OD2-OG1 2.57Å; T201-L228 HydrophobicContact CG2-CD1 3.96Å; T201-L228 HydrophobicContact CG2-CD2 4.06Å |
| 202 | I | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.3 | 175 | -55.7 | 172.3 | 0 | 0 | 0 | 107.5 | I172 L173 A174 R230 L282 Q285 | I172-I202 PolarHBondContact O-N 3.13Å; L173-I202 HydrophobicContact CD1-CB 3.92Å; L173-I202 HydrophobicContact CD1-CG2 3.84Å; A174-I202 PolarHBondContact N-O 2.98Å; I202-R230 HydrophobicContact CG1-CB 3.78Å; I202-R230 VanDerWaalsContact CG1-CD 3.47Å; I202-R230 HydrophobicContact CG1-CG 4.25Å; I202-L282 HydrophobicContact CD1-CD2 3.6Å; I202-L282 HydrophobicContact CG2-CD2 4.49Å; I202-Q285 HydrophobicContact CD1-CB 4.45Å; I202-Q285 HydrophobicContact CD1-CG 4.41Å |
| 203 | G | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G231 Y232 I233 | G203-G231 PolarHBondContact N-O 3.19Å; G203-Y232 CarbonylContact O-C 3.51Å; G203-Y232 VanDerWaalsContact O-CA 3.29Å; G203-Y232 WeakPolarHBondContact O-CA 3.5Å; G203-I233 PolarHBondContact O-N 3.35Å |
| 204 | V | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.4 | 170 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | V48 L173 A174 V175 S176 T206 I233 V235 L278 | V48-V204 HydrophobicContact CG2-CG1 4.46Å; L173-V204 HydrophobicContact CD1-CG2 3.37Å; L173-V204 HydrophobicContact CD2-CG2 4.41Å; L173-V204 HydrophobicContact CG-CG2 3.89Å; A174-V204 PolarHBondContact O-N 3.18Å; V175-V204 WeakPolarHBondContact CA-O 3.26Å; V175-V204 HydrophobicContact CG2-CB 4.28Å; S176-V204 PolarHBondContact N-O 3.09Å; V204-T206 HydrophobicContact CG1-CG2 4.17Å; V204-I233 WeakPolarHBondContact CA-O 3.23Å; V204-V235 HydrophobicContact CG1-CG1 4.46Å; V204-V235 HydrophobicContact CG1-CG2 3.76Å; V204-L278 HydrophobicContact CG1-CD2 4.17Å; V204-L278 HydrophobicContact CG2-CD1 3.82Å; V204-L278 HydrophobicContact CG2-CD2 3.9Å |
| 205 | V | 97.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.1 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 109 | S176 A178 L208 A217 I220 L221 Y232 I233 G234 V235 | S176-V205 WeakPolarHBondContact O-CA 3.25Å; A178-V205 HydrophobicContact CB-CG1 3.61Å; V205-L208 HydrophobicContact CG1-CD2 3.8Å; V205-L208 HydrophobicContact CG1-CG 4.11Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; V205-I220 HydrophobicContact CG2-CG2 3.69Å; V205-L221 HydrophobicContact CB-CD2 4.01Å; V205-L221 HydrophobicContact CG2-CD2 3.92Å; V205-Y232 HydrophobicContact CG2-CD1 3.92Å; V205-I233 PolarHBondContact N-O 3.08Å; V205-G234 CarbonylContact O-C 3.54Å; V205-G234 WeakPolarHBondContact O-CA 3.25Å; V205-V235 PolarHBondContact O-N 2.92Å |
| 206 | T | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 173.9 | 179.5 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | A43 V48 V175 S176 P177 A178 V204 L208 V235 | A43-T206 WeakPolarHBondContact O-CG2 3.35Å; A43-T206 PolarHBondContact O-OG1 2.74Å; V48-T206 HydrophobicContact CG2-CG2 4.07Å; V175-T206 HydrophobicContact CG1-CG2 3.54Å; S176-T206 PolarHBondContact O-N 3.48Å; P177-T206 WeakPolarHBondContact CA-OG1 3.38Å; A178-T206 WeakPolarHBondContact CB-O 3.2Å; A178-T206 PolarHBondContact N-O 2.93Å; V204-T206 HydrophobicContact CG1-CG2 4.17Å; T206-L208 PolarHBondContact O-N 3.25Å; T206-L208 VanDerWaalsContact O-N 3.16Å; T206-V235 HydrophobicContact CG2-CG2 3.8Å |
| 207 | K | 95 | Very high | 92.9 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | trans | 57.5 | 29.6 | 173.9 | -52.8 | -173.3 | -170.2 | 175.6 | 0 | 114.7 | S42 P177 D209 L210 | S42-K207 WeakPolarHBondContact O-CE 3.1Å; S42-K207 PolarHBondContact O-NZ 2.95Å; P177-K207 HydrophobicContact CB-CB 4.43Å; P177-K207 HydrophobicContact CB-CD 3.79Å; P177-K207 HydrophobicContact CB-CG 4.22Å; K207-D209 WeakPolarHBondContact CA-OD1 3.5Å; K207-D209 PolarHBondContact O-N 3.16Å; K207-L210 HydrophobicContact CB-CB 4.34Å; K207-L210 HydrophobicContact CB-CD1 4.3Å; K207-L210 HydrophobicContact CD-CD1 4.29Å; K207-L210 HydrophobicContact CG-CD1 4.34Å; K207-L210 PolarHBondContact O-N 2.97Å; K207-L210 VanDerWaalsContact O-N 3.07Å | ||
| 208 | L | 94.3 | Very high | 93 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -62 | -23.2 | 175.3 | -71.4 | 163.5 | 0 | 0 | 0 | 112.5 | A178 V205 T206 L210 M211 A217 L221 V236 F259 F260 Y266 | A178-L208 HydrophobicContact CB-CD2 3.67Å; A178-L208 HydrophobicContact CB-CG 4.08Å; V205-L208 HydrophobicContact CG1-CD2 3.8Å; V205-L208 HydrophobicContact CG1-CG 4.11Å; T206-L208 PolarHBondContact O-N 3.25Å; T206-L208 VanDerWaalsContact O-N 3.16Å; L208-L210 VanDerWaalsContact C-N 3.35Å; L208-M211 HydrophobicContact CD2-SD 4.05Å; L208-A217 HydrophobicContact CD2-CB 3.52Å; L208-L221 HydrophobicContact CD1-CD1 4.24Å; L208-L221 HydrophobicContact CD2-CD1 4.25Å; L208-V236 HydrophobicContact CB-CG2 4.43Å; L208-F259 HydrophobicContact CB-CE1 3.88Å; L208-F259 HydrophobicContact CB-CZ 3.93Å; L208-F260 HydrophobicContact CD1-CE1 3.82Å; L208-F260 HydrophobicContact CD1-CZ 3.78Å; L208-Y266 HydrophobicContact CD2-CE2 4.41Å |
| 209 | D | 92.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -79.6 | -12.9 | 176 | 61.1 | -52.5 | 0 | 0 | 0 | 114 | K207 V236 F259 | K207-D209 WeakPolarHBondContact CA-OD1 3.5Å; K207-D209 PolarHBondContact O-N 3.16Å; D209-V236 HydrophobicContact CB-CG1 4.04Å; D209-F259 HydrophobicContact CB-CE2 4.18Å |
| 210 | L | 91.9 | Very high | 93.2 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -109.4 | 20.2 | -178.8 | -57.5 | 179.5 | 0 | 0 | 0 | 112.6 | K207 L208 | K207-L210 HydrophobicContact CB-CB 4.34Å; K207-L210 HydrophobicContact CB-CD1 4.3Å; K207-L210 HydrophobicContact CD-CD1 4.29Å; K207-L210 HydrophobicContact CG-CD1 4.34Å; K207-L210 PolarHBondContact O-N 2.97Å; K207-L210 VanDerWaalsContact O-N 3.07Å; L208-L210 VanDerWaalsContact C-N 3.35Å |
| 211 | M | 91.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 51 Ų | 51 | 18% | 0.177 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -78.3 | 148.6 | 175.1 | -62.3 | -171.2 | 72.1 | 0 | 0 | 111 | A178 L208 A217 | A178-M211 HydrophobicContact CB-CE 4.43Å; A178-M211 HydrophobicContact CB-CG 3.88Å; A178-M211 HydrophobicContact CB-SD 3.69Å; L208-M211 HydrophobicContact CD2-SD 4.05Å; M211-A217 HydrophobicContact CE-CB 4.16Å; M211-A217 HydrophobicContact SD-CB 3.98Å |
| 212 | D | 89.5 | Confident | 93.1 | Very high | 131 Ų | 131 | 53.2 Ų | 53.2 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -63 | 143.8 | 176.8 | -70.8 | -34.3 | 0 | 0 | 0 | 110.8 | G214 T215 | D212-G214 PolarHBondContact O-N 3.32Å; D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.24Å; D212-T215 PolarHBondContact O-N 3.34Å; D212-T215 PolarHBondContact O-OG1 2.87Å |
| 213 | Q | 86.3 | Confident | 93 | Very high | 201 Ų | 201 | 55 Ų | 55 | 94% | 0.939 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 128.2 | 179.2 | -69.5 | -177.5 | 2.4 | 0 | 0 | 110.8 | ||
| 214 | G | 85.8 | Confident | 92.7 | Very high | 89 Ų | 89 | 60.4 Ų | 60.4 | 92% | 0.918 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D212 | D212-G214 PolarHBondContact O-N 3.32Š|
| 215 | T | 89.4 | Confident | 92.3 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | trans | -104.3 | 153.1 | 171.2 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | D212 | D212-T215 HydrophobicContact CB-CG2 4.28Å; D212-T215 PolarHBondContact N-OG1 3.24Å; D212-T215 PolarHBondContact O-N 3.34Å; D212-T215 PolarHBondContact O-OG1 2.87Å | ||
| 216 | D | 92.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | trans | -147.7 | 164.7 | 171.8 | 69.9 | 48 | 0 | 0 | 0 | 111.3 | R218 S265 Y266 | D216-R218 VanDerWaalsContact C-N 3.35Å; D216-R218 WeakPolarHBondContact OD1-CB 3.2Å; D216-R218 PolarHBondContact OD1-N 3.19Å; D216-S265 WeakPolarHBondContact OD2-CB 3.46Å; D216-S265 PolarHBondContact OD2-OG 3.44Å; D216-Y266 WeakPolarHBondContact CA-OH 3.49Å; D216-Y266 HydrophobicContact CB-CE1 4.16Å; D216-Y266 WeakPolarHBondContact CB-OH 3.44Å | ||
| 217 | A | 94.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | trans | -99.8 | 23.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A178 V205 L208 M211 E219 I220 L221 Y266 | A178-A217 HydrophobicContact CB-CB 4.47Å; V205-A217 HydrophobicContact CG1-CB 4.48Å; L208-A217 HydrophobicContact CD2-CB 3.52Å; M211-A217 HydrophobicContact CE-CB 4.16Å; M211-A217 HydrophobicContact SD-CB 3.98Å; A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.01Å; A217-I220 HydrophobicContact CB-CB 4.46Å; A217-I220 HydrophobicContact CB-CD1 4.17Å; A217-I220 WeakPolarHBondContact O-CB 3.06Å; A217-I220 PolarHBondContact O-N 3.07Å; A217-I220 VanDerWaalsContact O-N 3.09Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 2.86Å; A217-Y266 PolarHBondContact N-OH 2.89Å | ||
| 218 | R | 93.4 | Very high | 91.6 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | -171.1 | 179.4 | -179.7 | 173.1 | -176.5 | 1.8 | 111.9 | D216 I220 L221 E222 Y266 M269 | D216-R218 VanDerWaalsContact C-N 3.35Å; D216-R218 WeakPolarHBondContact OD1-CB 3.2Å; D216-R218 PolarHBondContact OD1-N 3.19Å; R218-I220 PolarHBondContact O-N 3.42Å; R218-L221 PolarHBondContact O-N 3.41Å; R218-E222 HydrophobicContact CG-CG 4.22Å; R218-E222 VanDerWaalsContact CG-OE2 3.23Å; R218-E222 WeakPolarHBondContact CG-OE2 3.36Å; R218-E222 IonicContact CZ-OE1 3.55Å; R218-E222 IonicContact CZ-OE2 3.84Å; R218-E222 IonicContact NE-OE1 3.2Å; R218-E222 PolarHBondContact NE-OE1 3.18Å; R218-E222 VanDerWaalsContact NE-OE1 3.15Å; R218-E222 IonicContact NE-OE2 3.1Å; R218-E222 PolarHBondContact NE-OE2 3.23Å; R218-E222 IonicContact NH2-OE1 3.7Å; R218-E222 IonicContact NH2-OE2 2.81Å; R218-E222 VanDerWaalsContact O-CB 3.29Å; R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.33Å; R218-Y266 HydrophobicContact CB-CE1 4.47Å; R218-M269 HydrophobicContact CG-CE 4.26Å |
| 219 | E | 92.2 | Very high | 91.4 | Very high | 111 Ų | 111 | 68.1 Ų | 68.1 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.2 | -29 | 179.1 | -59.6 | -167.5 | 155.9 | 0 | 0 | 113.1 | A217 R224 L225 | A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.01Å; E219-R224 PolarHBondContact O-N 3.03Å; E219-L225 HydrophobicContact CB-CB 4.43Å; E219-L225 PolarHBondContact O-N 2.98Å |
| 220 | I | 93.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73 | -52.7 | 175.3 | -53.4 | 175.7 | 0 | 0 | 0 | 109.4 | L182 V205 A217 R218 E222 N223 L225 Y232 | L182-I220 HydrophobicContact CB-CD1 3.93Å; L182-I220 HydrophobicContact CD1-CD1 4.39Å; L182-I220 HydrophobicContact CD1-CG2 4.24Å; L182-I220 HydrophobicContact CD2-CB 4.39Å; L182-I220 HydrophobicContact CD2-CD1 4.14Å; L182-I220 HydrophobicContact CD2-CG1 3.98Å; L182-I220 HydrophobicContact CD2-CG2 3.69Å; L182-I220 HydrophobicContact CG-CD1 4.38Å; V205-I220 HydrophobicContact CG2-CG2 3.69Å; A217-I220 HydrophobicContact CB-CB 4.46Å; A217-I220 HydrophobicContact CB-CD1 4.17Å; A217-I220 WeakPolarHBondContact O-CB 3.06Å; A217-I220 PolarHBondContact O-N 3.07Å; A217-I220 VanDerWaalsContact O-N 3.09Å; R218-I220 PolarHBondContact O-N 3.42Å; I220-E222 VanDerWaalsContact C-N 3.3Å; I220-E222 PolarHBondContact O-N 2.93Å; I220-N223 WeakPolarHBondContact O-CA 3.43Å; I220-N223 PolarHBondContact O-N 3.37Å; I220-L225 HydrophobicContact CD1-CD2 4.34Å; I220-L225 HydrophobicContact CG1-CB 4.41Å; I220-L225 HydrophobicContact CG1-CD2 3.83Å; I220-Y232 HydrophobicContact CG2-CD1 3.79Å; I220-Y232 HydrophobicContact CG2-CD2 4.43Å; I220-Y232 HydrophobicContact CG2-CE1 4.06Å; I220-Y232 HydrophobicContact CG2-CG 4Å; I220-Y232 VanDerWaalsContact O-CD2 3.25Å; I220-Y232 WeakPolarHBondContact O-CD2 3.36Å |
| 221 | L | 94.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -28.2 | -177.7 | -64 | 179.4 | 0 | 0 | 0 | 113.1 | V205 L208 A217 R218 N223 Y266 M269 M273 | V205-L221 HydrophobicContact CB-CD2 4.01Å; V205-L221 HydrophobicContact CG2-CD2 3.92Å; L208-L221 HydrophobicContact CD1-CD1 4.24Å; L208-L221 HydrophobicContact CD2-CD1 4.25Å; A217-L221 WeakPolarHBondContact O-CG 3.38Å; A217-L221 PolarHBondContact O-N 2.86Å; R218-L221 PolarHBondContact O-N 3.41Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-Y266 HydrophobicContact CD1-CD1 3.88Å; L221-Y266 HydrophobicContact CD1-CE1 3.85Å; L221-M269 HydrophobicContact CB-SD 3.64Å; L221-M269 HydrophobicContact CD1-SD 4.18Å; L221-M273 HydrophobicContact CB-CE 4.12Å; L221-M273 HydrophobicContact CD1-SD 4.21Å; L221-M273 HydrophobicContact CD2-CE 4.36Å; L221-M273 HydrophobicContact CD2-SD 4.01Å |
| 222 | E | 94 | Very high | 91.8 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 4.8 | 170.9 | -67.5 | 177.6 | 148.8 | 0 | 0 | 112.7 | R218 I220 R224 H268 M269 | R218-E222 HydrophobicContact CG-CG 4.22Å; R218-E222 VanDerWaalsContact CG-OE2 3.23Å; R218-E222 WeakPolarHBondContact CG-OE2 3.36Å; R218-E222 IonicContact CZ-OE1 3.55Å; R218-E222 IonicContact CZ-OE2 3.84Å; R218-E222 IonicContact NE-OE1 3.2Å; R218-E222 PolarHBondContact NE-OE1 3.18Å; R218-E222 VanDerWaalsContact NE-OE1 3.15Å; R218-E222 IonicContact NE-OE2 3.1Å; R218-E222 PolarHBondContact NE-OE2 3.23Å; R218-E222 IonicContact NH2-OE1 3.7Å; R218-E222 IonicContact NH2-OE2 2.81Å; R218-E222 VanDerWaalsContact O-CB 3.29Å; R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.33Å; I220-E222 VanDerWaalsContact C-N 3.3Å; I220-E222 PolarHBondContact O-N 2.93Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 VanDerWaalsContact CD-NH1 3.34Å; E222-R224 PolarHBondContact O-N 3.28Å; E222-R224 IonicContact OE2-CZ 2.95Å; E222-R224 IonicContact OE2-NH1 2.8Å; E222-R224 PolarHBondContact OE2-NH1 3.11Å; E222-R224 IonicContact OE2-NH2 2.81Å; E222-R224 PolarHBondContact OE2-NH2 2.9Å; E222-H268 IonicContact OE1-CD2 3.28Å; E222-H268 IonicContact OE1-CE1 3.5Å; E222-H268 PolarHBondContact OE1-CE1 2.81Å; E222-H268 IonicContact OE1-NE2 3.94Å; E222-H268 PolarHBondContact OE1-NE2 3.04Å; E222-M269 HydrophobicContact CG-CE 3.44Å; E222-M269 VanDerWaalsContact CG-CE 3.44Å |
| 223 | N | 93.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 33.5 | 176.3 | -159.9 | 47.1 | 0 | 0 | 0 | 113.6 | I220 L221 P227 L228 Y232 | I220-N223 WeakPolarHBondContact O-CA 3.43Å; I220-N223 PolarHBondContact O-N 3.37Å; L221-N223 PolarHBondContact O-N 2.89Å; N223-P227 WeakPolarHBondContact O-CB 3.41Å; N223-P227 WeakPolarHBondContact OD1-CA 3.45Å; N223-L228 PolarHBondContact ND2-O 2.83Å; N223-L228 PolarHBondContact OD1-N 2.78Å; N223-L228 PolarHBondContact OD1-O 2.92Å; N223-Y232 HydrophobicContact CB-CD2 4.46Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.41Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.37Å |
| 224 | R | 91 | Very high | 92.7 | Very high | 114 Ų | 114 | 45.8 Ų | 45.8 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | trans | -97 | -37.8 | -179.9 | -71.4 | -159.8 | -63.6 | -82.8 | -6 | 113.8 | E219 E222 W753 | E219-R224 PolarHBondContact O-N 3.03Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 VanDerWaalsContact CD-NH1 3.34Å; E222-R224 PolarHBondContact O-N 3.28Å; E222-R224 IonicContact OE2-CZ 2.95Å; E222-R224 IonicContact OE2-NH1 2.8Å; E222-R224 PolarHBondContact OE2-NH1 3.11Å; E222-R224 IonicContact OE2-NH2 2.81Å; E222-R224 PolarHBondContact OE2-NH2 2.9Å; R224-W753 VanDerWaalsContact O-CZ2 3.26Å; R224-W753 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 225 | L | 88.2 | Confident | 93.2 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 38% | 0.382 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -69 | -59.5 | -172.4 | -176 | 66.1 | 0 | 0 | 0 | 112.7 | L182 E219 I220 | L182-L225 HydrophobicContact CB-CD2 4.04Å; L182-L225 HydrophobicContact CD2-CD2 3.98Å; E219-L225 HydrophobicContact CB-CB 4.43Å; E219-L225 PolarHBondContact O-N 2.98Å; I220-L225 HydrophobicContact CD1-CD2 4.34Å; I220-L225 HydrophobicContact CG1-CB 4.41Å; I220-L225 HydrophobicContact CG1-CD2 3.83Å |
| 226 | L | 89.7 | Confident | 93.5 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 34% | 0.34 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -128.7 | 86.7 | 174.4 | -174.5 | 83.3 | 0 | 0 | 0 | 108.4 | L182 L188 L228 Y232 | L182-L226 HydrophobicContact CD2-CB 4.14Å; L188-L226 HydrophobicContact CB-CD2 4.13Å; L188-L226 HydrophobicContact CD1-CD2 3.87Å; L188-L226 HydrophobicContact CD2-CD2 4.33Å; L188-L226 HydrophobicContact CG-CD2 4.34Å; L226-L228 PolarHBondContact O-N 3.11Å; L226-Y232 WeakPolarHBondContact O-CE2 3.3Å; L226-Y232 PolarHBondContact O-OH 3.43Å |
| 227 | P | 91.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | trans | -65.4 | 134 | -168.4 | -20 | 30.8 | 0 | 0 | 0 | 113.6 | N223 V749 W753 | N223-P227 WeakPolarHBondContact O-CB 3.41Å; N223-P227 WeakPolarHBondContact OD1-CA 3.45Å; P227-V749 HydrophobicContact CB-CB 4.1Å; P227-V749 HydrophobicContact CB-CG1 3.25Å; P227-V749 HydrophobicContact CB-CG2 4.22Å; P227-V749 HydrophobicContact CG-CG1 3.96Å; P227-W753 HydrophobicContact CG-CZ2 4.25Å | ||
| 228 | L | 93.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | trans | -114.7 | 144.9 | 170.4 | -62.4 | 176.2 | 0 | 0 | 0 | 109.3 | L188 T201 N223 L226 R230 G231 Y232 | L188-L228 HydrophobicContact CD2-CD1 4.1Å; T201-L228 HydrophobicContact CG2-CD1 3.96Å; T201-L228 HydrophobicContact CG2-CD2 4.06Å; N223-L228 PolarHBondContact ND2-O 2.83Å; N223-L228 PolarHBondContact OD1-N 2.78Å; N223-L228 PolarHBondContact OD1-O 2.92Å; L226-L228 PolarHBondContact O-N 3.11Å; L228-R230 PolarHBondContact O-N 3.37Å; L228-G231 PolarHBondContact O-N 3.41Å; L228-Y232 HydrophobicContact CB-CE2 4.27Å; L228-Y232 HydrophobicContact CD1-CE1 3.86Å; L228-Y232 HydrophobicContact CD1-CE2 3.84Å; L228-Y232 VanDerWaalsContact CD1-CZ 3.47Å; L228-Y232 HydrophobicContact CG-CE2 3.8Å | ||
| 229 | R | 90.4 | Very high | 93.2 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.3 | -178.7 | -167.6 | 168 | 179.1 | 173.9 | -5.2 | 113.1 | G198 P746 V749 | G198-R229 VanDerWaalsContact O-CB 3.29Å; G198-R229 WeakPolarHBondContact O-CB 3.32Å; G198-R229 PolarHBondContact O-N 3.41Å; R229-P746 PolarHBondContact NE-O 2.89Å; R229-P746 PolarHBondContact NH2-O 3.4Å; R229-V749 HydrophobicContact CB-CG2 4.49Å |
| 230 | R | 92.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.8 | 176.6 | -56.5 | 175.6 | -178.4 | -94.3 | 3.2 | 113.1 | L199 I202 L228 | L199-R230 PolarHBondContact O-NE 2.88Å; L199-R230 PolarHBondContact O-NH2 3.4Å; I202-R230 HydrophobicContact CG1-CB 3.78Å; I202-R230 VanDerWaalsContact CG1-CD 3.47Å; I202-R230 HydrophobicContact CG1-CG 4.25Å; L228-R230 PolarHBondContact O-N 3.37Å |
| 231 | G | 94.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | trans | 69.1 | -167 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G203 L228 | G203-G231 PolarHBondContact N-O 3.19Å; L228-G231 PolarHBondContact O-N 3.41Å | ||
| 232 | Y | 96.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.1 | 179.1 | -68.2 | -96.5 | 0 | 0 | 0 | 110.8 | L182 L188 G203 V205 I220 N223 L226 L228 | L182-Y232 HydrophobicContact CD2-CE1 4.37Å; L188-Y232 HydrophobicContact CD1-CE1 4.37Å; G203-Y232 CarbonylContact O-C 3.51Å; G203-Y232 VanDerWaalsContact O-CA 3.29Å; G203-Y232 WeakPolarHBondContact O-CA 3.5Å; V205-Y232 HydrophobicContact CG2-CD1 3.92Å; I220-Y232 HydrophobicContact CG2-CD1 3.79Å; I220-Y232 HydrophobicContact CG2-CD2 4.43Å; I220-Y232 HydrophobicContact CG2-CE1 4.06Å; I220-Y232 HydrophobicContact CG2-CG 4Å; I220-Y232 VanDerWaalsContact O-CD2 3.25Å; I220-Y232 WeakPolarHBondContact O-CD2 3.36Å; N223-Y232 HydrophobicContact CB-CD2 4.46Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.41Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.29Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.37Å; L226-Y232 WeakPolarHBondContact O-CE2 3.3Å; L226-Y232 PolarHBondContact O-OH 3.43Å; L228-Y232 HydrophobicContact CB-CE2 4.27Å; L228-Y232 HydrophobicContact CD1-CE1 3.86Å; L228-Y232 HydrophobicContact CD1-CE2 3.84Å; L228-Y232 VanDerWaalsContact CD1-CZ 3.47Å; L228-Y232 HydrophobicContact CG-CE2 3.8Å |
| 233 | I | 97.6 | Very high | 92 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.4 | 174.3 | -58.3 | 172.1 | 0 | 0 | 0 | 108.6 | G203 V204 V205 F277 L278 T281 | G203-I233 PolarHBondContact O-N 3.35Å; V204-I233 WeakPolarHBondContact CA-O 3.23Å; V205-I233 PolarHBondContact N-O 3.08Å; I233-F277 HydrophobicContact CD1-CD1 3.92Å; I233-F277 HydrophobicContact CD1-CE1 3.79Å; I233-F277 HydrophobicContact CG1-CD1 4.2Å; I233-F277 HydrophobicContact CG1-CE1 4.04Å; I233-F277 HydrophobicContact CG2-CD1 4.04Å; I233-L278 HydrophobicContact CB-CD1 4.17Å; I233-L278 HydrophobicContact CD1-CD1 3.72Å; I233-L278 HydrophobicContact CG2-CB 3.98Å; I233-L278 HydrophobicContact CG2-CD1 4.31Å; I233-T281 HydrophobicContact CD1-CG2 4.02Å |
| 234 | G | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 137.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V205 F260 M273 G274 | V205-G234 CarbonylContact O-C 3.54Å; V205-G234 WeakPolarHBondContact O-CA 3.25Å; G234-F260 WeakPolarHBondContact O-CZ 3.41Å; G234-M273 PolarHBondContact N-SD 3.36Å; G234-G274 WeakPolarHBondContact O-CA 3.38Å; G234-G274 PolarHBondContact O-N 2.88Å |
| 235 | V | 97.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | trans | -134.6 | 146.8 | 175.3 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | V48 V204 V205 T206 E256 L278 | V48-V235 HydrophobicContact CG2-CG2 4Å; V204-V235 HydrophobicContact CG1-CG1 4.46Å; V204-V235 HydrophobicContact CG1-CG2 3.76Å; V205-V235 PolarHBondContact O-N 2.92Å; T206-V235 HydrophobicContact CG2-CG2 3.8Å; V235-E256 WeakPolarHBondContact CA-OE1 3.28Å; V235-L278 HydrophobicContact CG1-CB 4.35Å; V235-L278 HydrophobicContact CG1-CD2 3.8Å | ||
| 236 | V | 95.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | trans | -117.3 | 105.8 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | L208 D209 E256 F259 F260 | L208-V236 HydrophobicContact CB-CG2 4.43Å; D209-V236 HydrophobicContact CB-CG1 4.04Å; V236-E256 HydrophobicContact CB-CB 4.22Å; V236-E256 HydrophobicContact CB-CG 3.98Å; V236-E256 HydrophobicContact CG2-CG 4.44Å; V236-E256 PolarHBondContact N-OE1 3.1Å; V236-F259 HydrophobicContact CG2-CD1 3.49Å; V236-F259 VanDerWaalsContact CG2-CD1 3.49Å; V236-F259 HydrophobicContact CG2-CE1 3.77Å; V236-F259 HydrophobicContact CG2-CG 4.01Å; V236-F259 HydrophobicContact CG2-CZ 4.5Å; V236-F260 HydrophobicContact CG2-CE2 4.12Å; V236-F260 HydrophobicContact CG2-CZ 4.16Å | ||
| 237 | N | 93.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 165 | -178.2 | -63.8 | -28 | 0 | 0 | 0 | 111.3 | N51 S239 | N51-N237 PolarHBondContact ND2-OD1 2.7Å; N237-S239 PolarHBondContact O-N 3.01Å |
| 238 | R | 91.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 56 Ų | 56 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 133.5 | 170.5 | -71.4 | -177.6 | -73.2 | 151.2 | 10.6 | 109.9 | D56 D242 I243 K247 A252 | D56-R238 VanDerWaalsContact CG-NH2 3.26Å; D56-R238 IonicContact OD1-CZ 3.73Å; D56-R238 IonicContact OD1-NH1 3.48Å; D56-R238 IonicContact OD1-NH2 2.71Å; D56-R238 PolarHBondContact OD1-NH2 2.99Å; D56-R238 IonicContact OD2-CZ 2.59Å; D56-R238 IonicContact OD2-NH1 2.99Å; D56-R238 PolarHBondContact OD2-NH1 3.21Å; D56-R238 IonicContact OD2-NH2 3.27Å; D56-R238 PolarHBondContact OD2-NH2 2.82Å; R238-D242 HydrophobicContact CB-CB 3.91Å; R238-D242 HydrophobicContact CG-CB 4.33Å; R238-I243 HydrophobicContact CB-CD1 4.47Å; R238-I243 HydrophobicContact CB-CG1 3.98Å; R238-K247 PolarHBondContact NH1-O 2.66Å; R238-A252 HydrophobicContact CG-CB 3.49Å; R238-A252 VanDerWaalsContact CG-CB 3.49Å |
| 239 | S | 87.8 | Confident | 90.6 | Very high | 45 Ų | 45 | 56.7 Ų | 56.7 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 162.6 | 172.3 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | N237 R241 D242 I243 | N237-S239 PolarHBondContact O-N 3.01Å; S239-R241 PolarHBondContact O-N 3.38Å; S239-D242 PolarHBondContact N-OD2 2.74Å; S239-D242 WeakPolarHBondContact O-CA 3.44Å; S239-D242 WeakPolarHBondContact O-CB 3.36Å; S239-D242 PolarHBondContact O-N 2.92Å; S239-D242 VanDerWaalsContact OG-CG 3.25Å; S239-D242 PolarHBondContact OG-N 3.31Å; S239-D242 VanDerWaalsContact OG-N 3.12Å; S239-D242 PolarHBondContact OG-OD2 3.07Å; S239-I243 WeakPolarHBondContact O-CD1 3.11Å; S239-I243 WeakPolarHBondContact O-CG1 3.25Å; S239-I243 PolarHBondContact O-N 3.28Å |
| 240 | Q | 85.7 | Confident | 90.5 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.7 | -37.4 | 175.1 | -174.2 | 60 | 26 | 0 | 0 | 111.9 | I243 E244 | Q240-I243 PolarHBondContact O-N 3.27Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.32Å; Q240-E244 PolarHBondContact NE2-OE1 3.16Å; Q240-E244 VanDerWaalsContact NE2-OE1 3.09Å; Q240-E244 WeakPolarHBondContact O-CG 3.3Å; Q240-E244 PolarHBondContact O-N 2.83Å |
| 241 | R | 88.2 | Confident | 90.4 | Very high | 209 Ų | 209 | 61 Ų | 61 | 79% | 0.789 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 174.1 | -173.5 | 178.4 | -176.8 | 164.5 | 2.4 | 112.8 | S239 I243 G245 | S239-R241 PolarHBondContact O-N 3.38Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-G245 PolarHBondContact O-N 3.29Å |
| 242 | D | 89.4 | Confident | 90.3 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.3 | -75.1 | -19.5 | 0 | 0 | 0 | 111.2 | R238 S239 G245 R246 K247 | R238-D242 HydrophobicContact CB-CB 3.91Å; R238-D242 HydrophobicContact CG-CB 4.33Å; S239-D242 PolarHBondContact N-OD2 2.74Å; S239-D242 WeakPolarHBondContact O-CA 3.44Å; S239-D242 WeakPolarHBondContact O-CB 3.36Å; S239-D242 PolarHBondContact O-N 2.92Å; S239-D242 VanDerWaalsContact OG-CG 3.25Å; S239-D242 PolarHBondContact OG-N 3.31Å; S239-D242 VanDerWaalsContact OG-N 3.12Å; S239-D242 PolarHBondContact OG-OD2 3.07Å; D242-G245 CarbonylContact O-C 3.57Å; D242-R246 PolarHBondContact O-N 3.25Å; D242-R246 VanDerWaalsContact O-N 3.17Å; D242-K247 HydrophobicContact CB-CB 3.9Å; D242-K247 HydrophobicContact CB-CD 3.67Å; D242-K247 HydrophobicContact CB-CG 4.49Å; D242-K247 VanDerWaalsContact CG-NZ 3.32Å; D242-K247 VanDerWaalsContact O-CB 3.27Å; D242-K247 WeakPolarHBondContact O-CB 3.4Å; D242-K247 PolarHBondContact O-N 2.96Å; D242-K247 VanDerWaalsContact OD1-CD 3.3Å; D242-K247 WeakPolarHBondContact OD1-CD 3.43Å; D242-K247 IonicContact OD1-NZ 3.03Å; D242-K247 PolarHBondContact OD1-NZ 2.95Å; D242-K247 WeakPolarHBondContact OD2-CD 3.44Å; D242-K247 IonicContact OD2-NZ 2.66Å; D242-K247 PolarHBondContact OD2-NZ 3.5Å |
| 243 | I | 85.3 | Confident | 90 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.1 | -48.8 | 178.8 | -65.3 | 153.6 | 0 | 0 | 0 | 110.7 | R60 R238 S239 Q240 R241 G245 R246 | R60-I243 VanDerWaalsContact CZ-CD1 3.42Å; R60-I243 VanDerWaalsContact NH1-CD1 3.3Å; R60-I243 VanDerWaalsContact NH2-CD1 3.33Å; R238-I243 HydrophobicContact CB-CD1 4.47Å; R238-I243 HydrophobicContact CB-CG1 3.98Å; S239-I243 WeakPolarHBondContact O-CD1 3.11Å; S239-I243 WeakPolarHBondContact O-CG1 3.25Å; S239-I243 PolarHBondContact O-N 3.28Å; Q240-I243 PolarHBondContact O-N 3.27Å; R241-I243 VanDerWaalsContact C-N 3.29Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 2.8Å; I243-R246 WeakPolarHBondContact O-CA 3.33Å; I243-R246 PolarHBondContact O-N 3.34Å |
| 244 | E | 85.2 | Confident | 89.9 | Confident | 137 Ų | 137 | 65.4 Ų | 65.4 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.7 | -39 | 175.4 | -73.9 | 166.8 | -166.3 | 0 | 0 | 111.6 | Q240 R246 | Q240-E244 WeakPolarHBondContact CG-OE1 3.32Å; Q240-E244 PolarHBondContact NE2-OE1 3.16Å; Q240-E244 VanDerWaalsContact NE2-OE1 3.09Å; Q240-E244 WeakPolarHBondContact O-CG 3.3Å; Q240-E244 PolarHBondContact O-N 2.83Å; E244-R246 PolarHBondContact O-N 3.06Å |
| 245 | G | 87.2 | Confident | 89.7 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 3.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | R241 D242 I243 K247 | R241-G245 PolarHBondContact O-N 3.29Å; D242-G245 CarbonylContact O-C 3.57Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 2.8Å; G245-K247 PolarHBondContact O-N 3.01Å |
| 246 | R | 84.6 | Confident | 89.6 | Confident | 200 Ų | 200 | 67.6 Ų | 67.6 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 42.1 | -176.6 | -65.1 | -175.9 | 170.9 | -169.3 | -7.2 | 113.2 | D242 I243 E244 D248 | D242-R246 PolarHBondContact O-N 3.25Å; D242-R246 VanDerWaalsContact O-N 3.17Å; I243-R246 WeakPolarHBondContact O-CA 3.33Å; I243-R246 PolarHBondContact O-N 3.34Å; E244-R246 PolarHBondContact O-N 3.06Å; R246-D248 PolarHBondContact O-N 2.89Å |
| 247 | K | 88 | Confident | 89.6 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | trans | -56.6 | 125.1 | 176 | -177.5 | 178.1 | 179.4 | 177.7 | 0 | 109.6 | R238 D242 G245 A251 | R238-K247 PolarHBondContact NH1-O 2.66Å; D242-K247 HydrophobicContact CB-CB 3.9Å; D242-K247 HydrophobicContact CB-CD 3.67Å; D242-K247 HydrophobicContact CB-CG 4.49Å; D242-K247 VanDerWaalsContact CG-NZ 3.32Å; D242-K247 VanDerWaalsContact O-CB 3.27Å; D242-K247 WeakPolarHBondContact O-CB 3.4Å; D242-K247 PolarHBondContact O-N 2.96Å; D242-K247 VanDerWaalsContact OD1-CD 3.3Å; D242-K247 WeakPolarHBondContact OD1-CD 3.43Å; D242-K247 IonicContact OD1-NZ 3.03Å; D242-K247 PolarHBondContact OD1-NZ 2.95Å; D242-K247 WeakPolarHBondContact OD2-CD 3.44Å; D242-K247 IonicContact OD2-NZ 2.66Å; D242-K247 PolarHBondContact OD2-NZ 3.5Å; G245-K247 PolarHBondContact O-N 3.01Å; K247-A251 HydrophobicContact CG-CB 4.47Å | ||
| 248 | D | 87.5 | Confident | 89.7 | Confident | 93 Ų | 93 | 78 Ų | 78 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | trans | -56.4 | 138.5 | 178.7 | 178.3 | 31.3 | 0 | 0 | 0 | 111.2 | R246 K250 A251 A252 | R246-D248 PolarHBondContact O-N 2.89Å; D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 3.42Å; D248-K250 WeakPolarHBondContact OD2-CB 3.5Å; D248-A251 HydrophobicContact CB-CB 4.22Å; D248-A251 WeakPolarHBondContact O-CB 3.36Å; D248-A251 PolarHBondContact O-N 3.29Å; D248-A251 VanDerWaalsContact O-N 3.14Å; D248-A252 PolarHBondContact O-N 3.01Å | ||
| 249 | I | 86.4 | Confident | 89.9 | Confident | 23 Ų | 23 | 78.8 Ų | 78.8 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | -178.2 | -166.4 | 77.9 | 0 | 0 | 0 | 111.4 | N51 A251 A252 L253 | N51-I249 WeakPolarHBondContact OD1-CD1 3.42Å; I249-A251 VanDerWaalsContact C-N 3.28Å; I249-A251 PolarHBondContact O-N 2.92Å; I249-A252 WeakPolarHBondContact O-CA 3.46Å; I249-A252 WeakPolarHBondContact O-CB 3.21Å; I249-A252 PolarHBondContact O-N 3.34Å; I249-L253 HydrophobicContact CG1-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.22Å |
| 250 | K | 88.2 | Confident | 90.3 | Very high | 146 Ų | 146 | 76.8 Ų | 76.8 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -38.6 | 177.4 | -62.5 | -178.3 | 177.8 | 178.4 | 0 | 110.8 | D248 A252 L253 A254 | D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 3.42Å; D248-K250 WeakPolarHBondContact OD2-CB 3.5Å; K250-A252 VanDerWaalsContact C-N 3.33Å; K250-L253 PolarHBondContact O-N 3.39Å; K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 2.73Å |
| 251 | A | 91.7 | Very high | 90.8 | Very high | 46 Ų | 46 | 74.9 Ų | 74.9 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K247 D248 I249 A255 | K247-A251 HydrophobicContact CG-CB 4.47Å; D248-A251 HydrophobicContact CB-CB 4.22Å; D248-A251 WeakPolarHBondContact O-CB 3.36Å; D248-A251 PolarHBondContact O-N 3.29Å; D248-A251 VanDerWaalsContact O-N 3.14Å; I249-A251 VanDerWaalsContact C-N 3.28Å; I249-A251 PolarHBondContact O-N 2.92Å; A251-A255 VanDerWaalsContact O-CB 3.32Å; A251-A255 WeakPolarHBondContact O-CB 3.25Å; A251-A255 PolarHBondContact O-N 3.28Å |
| 252 | A | 90.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R238 D248 I249 K250 A254 A255 E256 | R238-A252 HydrophobicContact CG-CB 3.49Å; R238-A252 VanDerWaalsContact CG-CB 3.49Å; D248-A252 PolarHBondContact O-N 3.01Å; I249-A252 WeakPolarHBondContact O-CA 3.46Å; I249-A252 WeakPolarHBondContact O-CB 3.21Å; I249-A252 PolarHBondContact O-N 3.34Å; K250-A252 VanDerWaalsContact C-N 3.33Å; A252-A254 VanDerWaalsContact C-N 3.33Å; A252-A254 PolarHBondContact O-N 2.82Å; A252-A255 WeakPolarHBondContact O-CB 3.38Å; A252-A255 PolarHBondContact O-N 3.07Å; A252-A255 VanDerWaalsContact O-N 3.16Å; A252-E256 PolarHBondContact O-N 3.5Å |
| 253 | L | 92.1 | Very high | 91.3 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.5 | -66.5 | 174.4 | 0 | 0 | 0 | 111.9 | I249 K250 A255 E256 R257 T275 P276 | I249-L253 HydrophobicContact CG1-CG 4.48Å; I249-L253 WeakPolarHBondContact O-CG 3.49Å; I249-L253 PolarHBondContact O-N 3.22Å; K250-L253 PolarHBondContact O-N 3.39Å; L253-A255 VanDerWaalsContact C-N 3.35Å; L253-E256 PolarHBondContact O-N 3.25Å; L253-R257 WeakPolarHBondContact O-CB 3.39Å; L253-R257 PolarHBondContact O-N 3.03Å; L253-T275 HydrophobicContact CD2-CG2 4.07Å; L253-P276 HydrophobicContact CD2-CG 4.28Å |
| 254 | A | 93.7 | Very high | 91.6 | Very high | 61 Ų | 61 | 73.5 Ų | 73.5 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | K250 A252 R257 K258 | K250-A254 WeakPolarHBondContact O-CB 3.48Å; K250-A254 PolarHBondContact O-N 2.73Å; A252-A254 VanDerWaalsContact C-N 3.33Å; A252-A254 PolarHBondContact O-N 2.82Å; A254-R257 PolarHBondContact O-N 3.49Å; A254-K258 WeakPolarHBondContact O-CB 3.49Å; A254-K258 PolarHBondContact O-N 2.81Å |
| 255 | A | 93.9 | Very high | 92 | Very high | 42 Ų | 42 | 67.9 Ų | 67.9 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A251 A252 L253 K258 F259 | A251-A255 VanDerWaalsContact O-CB 3.32Å; A251-A255 WeakPolarHBondContact O-CB 3.25Å; A251-A255 PolarHBondContact O-N 3.28Å; A252-A255 WeakPolarHBondContact O-CB 3.38Å; A252-A255 PolarHBondContact O-N 3.07Å; A252-A255 VanDerWaalsContact O-N 3.16Å; L253-A255 VanDerWaalsContact C-N 3.35Å; A255-K258 PolarHBondContact O-N 3.03Å; A255-F259 PolarHBondContact O-N 2.78Å |
| 256 | E | 95.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.023 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 173.1 | 176.3 | -177.5 | -120.6 | 0 | 0 | 110.9 | V235 V236 A252 L253 K258 F259 F260 G274 T275 | V235-E256 WeakPolarHBondContact CA-OE1 3.28Å; V236-E256 HydrophobicContact CB-CB 4.22Å; V236-E256 HydrophobicContact CB-CG 3.98Å; V236-E256 HydrophobicContact CG2-CG 4.44Å; V236-E256 PolarHBondContact N-OE1 3.1Å; A252-E256 PolarHBondContact O-N 3.5Å; L253-E256 PolarHBondContact O-N 3.25Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 3.25Å; E256-F259 WeakPolarHBondContact O-CB 3.35Å; E256-F259 PolarHBondContact O-N 2.97Å; E256-F259 VanDerWaalsContact O-N 3.14Å; E256-F260 HydrophobicContact CG-CD2 3.96Å; E256-F260 HydrophobicContact CG-CE2 3.67Å; E256-F260 VanDerWaalsContact O-CD2 3.29Å; E256-F260 WeakPolarHBondContact O-CD2 3.23Å; E256-F260 PolarHBondContact O-N 3.15Å; E256-F260 VanDerWaalsContact O-N 3.12Å; E256-G274 WeakPolarHBondContact OE1-CA 3.07Å; E256-G274 WeakPolarHBondContact OE2-CA 3.28Å; E256-T275 VanDerWaalsContact CD-N 3.29Å; E256-T275 PolarHBondContact OE1-N 2.82Å; E256-T275 VanDerWaalsContact OE1-N 3.15Å; E256-T275 PolarHBondContact OE1-OG1 2.9Å; E256-T275 VanDerWaalsContact OE1-OG1 3.14Å; E256-T275 PolarHBondContact OE2-N 3.02Å; E256-T275 PolarHBondContact OE2-OG1 2.71Å |
| 257 | R | 95.3 | Very high | 92.8 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.3 | -176.6 | 60.1 | 173 | 173.2 | 2.2 | 111.7 | L253 A254 L261 A270 D271 | L253-R257 WeakPolarHBondContact O-CB 3.39Å; L253-R257 PolarHBondContact O-N 3.03Å; A254-R257 PolarHBondContact O-N 3.49Å; R257-L261 HydrophobicContact CG-CD1 4Å; R257-L261 WeakPolarHBondContact O-CB 3.46Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.35Å; R257-L261 PolarHBondContact O-N 3.39Å; R257-L261 VanDerWaalsContact O-N 3.15Å; R257-A270 VanDerWaalsContact NH1-C 3.34Å; R257-A270 PolarHBondContact NH1-O 3.08Å; R257-D271 IonicContact CZ-OD1 3.41Å; R257-D271 VanDerWaalsContact CZ-OD1 3.24Å; R257-D271 IonicContact NH1-OD1 3.19Å; R257-D271 PolarHBondContact NH1-OD1 3.25Å; R257-D271 IonicContact NH2-OD1 2.75Å; R257-D271 PolarHBondContact NH2-OD1 3.01Å |
| 258 | K | 96.1 | Very high | 93 | Very high | 154 Ų | 154 | 65.3 Ų | 65.3 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174.8 | -174.9 | 179.6 | 178.4 | -177.3 | 0 | 111.1 | A254 A255 E256 L261 S262 | A254-K258 WeakPolarHBondContact O-CB 3.49Å; A254-K258 PolarHBondContact O-N 2.81Å; A255-K258 PolarHBondContact O-N 3.03Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 2.94Å; K258-S262 VanDerWaalsContact O-CB 3.29Å; K258-S262 WeakPolarHBondContact O-CB 3.26Å; K258-S262 PolarHBondContact O-N 3.28Å; K258-S262 PolarHBondContact O-OG 3.07Å |
| 259 | F | 96 | Very high | 93.4 | Very high | 39 Ų | 39 | 61 Ų | 61 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.7 | -57.2 | 177.4 | 172.5 | -93.8 | 0 | 0 | 0 | 111.3 | L208 D209 V236 A255 E256 L261 S262 H263 Y266 | L208-F259 HydrophobicContact CB-CE1 3.88Å; L208-F259 HydrophobicContact CB-CZ 3.93Å; D209-F259 HydrophobicContact CB-CE2 4.18Å; V236-F259 HydrophobicContact CG2-CD1 3.49Å; V236-F259 VanDerWaalsContact CG2-CD1 3.49Å; V236-F259 HydrophobicContact CG2-CE1 3.77Å; V236-F259 HydrophobicContact CG2-CG 4.01Å; V236-F259 HydrophobicContact CG2-CZ 4.5Å; A255-F259 PolarHBondContact O-N 2.78Å; E256-F259 WeakPolarHBondContact O-CB 3.35Å; E256-F259 PolarHBondContact O-N 2.97Å; E256-F259 VanDerWaalsContact O-N 3.14Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 3.38Å; F259-S262 PolarHBondContact O-N 3.35Å; F259-S262 PolarHBondContact O-OG 3.39Å; F259-S262 VanDerWaalsContact O-OG 3.13Å; F259-H263 AromaticContact CZ-CD2 3.97Å; F259-H263 WeakPolarHBondContact O-CB 3.49Å; F259-H263 PolarHBondContact O-N 2.99Å; F259-Y266 AromaticContact CE1-CD2 3.9Å; F259-Y266 HydrophobicContact CE1-CD2 3.9Å; F259-Y266 AromaticContact CE1-CE2 4Å; F259-Y266 HydrophobicContact CE1-CE2 4Å; F259-Y266 HydrophobicContact CZ-CD2 4.24Å; F259-Y266 AromaticContact CZ-CE2 3.99Å; F259-Y266 HydrophobicContact CZ-CE2 3.99Å |
| 260 | F | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | -179.4 | -72.2 | -67.6 | 0 | 0 | 0 | 113.6 | L208 G234 V236 E256 Y266 R267 A270 M273 | L208-F260 HydrophobicContact CD1-CE1 3.82Å; L208-F260 HydrophobicContact CD1-CZ 3.78Å; G234-F260 WeakPolarHBondContact O-CZ 3.41Å; V236-F260 HydrophobicContact CG2-CE2 4.12Å; V236-F260 HydrophobicContact CG2-CZ 4.16Å; E256-F260 HydrophobicContact CG-CD2 3.96Å; E256-F260 HydrophobicContact CG-CE2 3.67Å; E256-F260 VanDerWaalsContact O-CD2 3.29Å; E256-F260 WeakPolarHBondContact O-CD2 3.23Å; E256-F260 PolarHBondContact O-N 3.15Å; E256-F260 VanDerWaalsContact O-N 3.12Å; F260-Y266 HydrophobicContact CD1-CD2 4.34Å; F260-Y266 HydrophobicContact CD1-CG 4.42Å; F260-Y266 HydrophobicContact CE1-CD2 4.5Å; F260-R267 WeakPolarHBondContact O-CA 3.35Å; F260-R267 PolarHBondContact O-N 3.36Å; F260-A270 HydrophobicContact CB-CB 3.79Å; F260-M273 HydrophobicContact CD1-CB 3.76Å; F260-M273 HydrophobicContact CD1-CG 4.1Å; F260-M273 HydrophobicContact CD2-CB 3.99Å; F260-M273 HydrophobicContact CE1-CB 3.72Å; F260-M273 HydrophobicContact CE1-CG 4.02Å; F260-M273 HydrophobicContact CE2-CB 3.95Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.83Å |
| 261 | L | 95.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.7 | -27.5 | 178.5 | -72.5 | 173.5 | 0 | 0 | 0 | 113.7 | R257 K258 F259 R267 A270 | R257-L261 HydrophobicContact CG-CD1 4Å; R257-L261 WeakPolarHBondContact O-CB 3.46Å; R257-L261 VanDerWaalsContact O-CG 3.31Å; R257-L261 WeakPolarHBondContact O-CG 3.35Å; R257-L261 PolarHBondContact O-N 3.39Å; R257-L261 VanDerWaalsContact O-N 3.15Å; K258-L261 PolarHBondContact O-N 2.94Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 3.38Å; L261-R267 PolarHBondContact O-NH1 3.38Å; L261-A270 HydrophobicContact CD2-CB 3.81Å; L261-A270 HydrophobicContact CG-CB 4.28Å |
| 262 | S | 94.1 | Very high | 94 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 57% | 0.573 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -95 | -21.3 | -177 | 58.2 | 0 | 0 | 0 | 0 | 114 | K258 F259 | K258-S262 VanDerWaalsContact O-CB 3.29Å; K258-S262 WeakPolarHBondContact O-CB 3.26Å; K258-S262 PolarHBondContact O-N 3.28Å; K258-S262 PolarHBondContact O-OG 3.07Å; F259-S262 PolarHBondContact O-N 3.35Å; F259-S262 PolarHBondContact O-OG 3.39Å; F259-S262 VanDerWaalsContact O-OG 3.13Å |
| 263 | H | 93.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | trans | -77.4 | 124.1 | 179.7 | -160.7 | -74.4 | 0 | 0 | 0 | 111.3 | F259 S265 Y266 R267 | F259-H263 AromaticContact CZ-CD2 3.97Å; F259-H263 WeakPolarHBondContact O-CB 3.49Å; F259-H263 PolarHBondContact O-N 2.99Å; H263-S265 VanDerWaalsContact C-N 3.33Å; H263-S265 PolarHBondContact ND1-N 3Å; H263-S265 PolarHBondContact O-N 2.9Å; H263-Y266 HydrophobicContact CB-CD2 3.77Å; H263-Y266 HydrophobicContact CB-CG 4.42Å; H263-Y266 AromaticContact CD2-CE2 3.95Å; H263-Y266 AromaticContact CE1-CE2 3.69Å; H263-Y266 AromaticContact CG-CD2 3.47Å; H263-Y266 VanDerWaalsContact CG-CD2 3.47Å; H263-Y266 AromaticContact CG-CE2 3.79Å; H263-Y266 AromaticContact ND1-CD2 3.45Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.47Å; H263-Y266 AromaticContact ND1-CE2 3.62Å; H263-Y266 AromaticContact ND1-CG 3.96Å; H263-Y266 AromaticContact NE2-CE2 3.9Å; H263-Y266 PolarHBondContact O-N 3.4Å; H263-R267 WeakPolarHBondContact O-CB 3.15Å; H263-R267 PolarHBondContact O-N 3.32Å | ||
| 264 | S | 92.7 | Very high | 94.5 | Very high | 107 Ų | 107 | 61.4 Ų | 61.4 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -43 | -176.9 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | Y266 | S264-Y266 PolarHBondContact O-N 3.05Š|
| 265 | S | 92.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18.8 | -178.1 | -50.2 | 0 | 0 | 0 | 0 | 115.3 | D216 H263 H268 | D216-S265 WeakPolarHBondContact OD2-CB 3.46Å; D216-S265 PolarHBondContact OD2-OG 3.44Å; H263-S265 VanDerWaalsContact C-N 3.33Å; H263-S265 PolarHBondContact ND1-N 3Å; H263-S265 PolarHBondContact O-N 2.9Å; S265-H268 PolarHBondContact O-CE1 3.44Å |
| 266 | Y | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -10.9 | -172.6 | -48.9 | -42.9 | 0 | 0 | 0 | 113.7 | L208 D216 A217 R218 L221 F259 F260 H263 S264 H268 M269 A270 | L208-Y266 HydrophobicContact CD2-CE2 4.41Å; D216-Y266 WeakPolarHBondContact CA-OH 3.49Å; D216-Y266 HydrophobicContact CB-CE1 4.16Å; D216-Y266 WeakPolarHBondContact CB-OH 3.44Å; A217-Y266 PolarHBondContact N-OH 2.89Å; R218-Y266 HydrophobicContact CB-CE1 4.47Å; L221-Y266 HydrophobicContact CD1-CD1 3.88Å; L221-Y266 HydrophobicContact CD1-CE1 3.85Å; F259-Y266 AromaticContact CE1-CD2 3.9Å; F259-Y266 HydrophobicContact CE1-CD2 3.9Å; F259-Y266 AromaticContact CE1-CE2 4Å; F259-Y266 HydrophobicContact CE1-CE2 4Å; F259-Y266 HydrophobicContact CZ-CD2 4.24Å; F259-Y266 AromaticContact CZ-CE2 3.99Å; F259-Y266 HydrophobicContact CZ-CE2 3.99Å; F260-Y266 HydrophobicContact CD1-CD2 4.34Å; F260-Y266 HydrophobicContact CD1-CG 4.42Å; F260-Y266 HydrophobicContact CE1-CD2 4.5Å; H263-Y266 HydrophobicContact CB-CD2 3.77Å; H263-Y266 HydrophobicContact CB-CG 4.42Å; H263-Y266 AromaticContact CD2-CE2 3.95Å; H263-Y266 AromaticContact CE1-CE2 3.69Å; H263-Y266 AromaticContact CG-CD2 3.47Å; H263-Y266 VanDerWaalsContact CG-CD2 3.47Å; H263-Y266 AromaticContact CG-CE2 3.79Å; H263-Y266 AromaticContact ND1-CD2 3.45Å; H263-Y266 WeakPolarHBondContact ND1-CD2 3.47Å; H263-Y266 AromaticContact ND1-CE2 3.62Å; H263-Y266 AromaticContact ND1-CG 3.96Å; H263-Y266 AromaticContact NE2-CE2 3.9Å; H263-Y266 PolarHBondContact O-N 3.4Å; S264-Y266 PolarHBondContact O-N 3.05Å; Y266-H268 VanDerWaalsContact C-N 3.26Å; Y266-H268 PolarHBondContact O-N 2.97Å; Y266-H268 VanDerWaalsContact O-N 3.16Å; Y266-M269 CarbonylContact O-C 3.57Å; Y266-M269 WeakPolarHBondContact O-CG 3.49Å; Y266-M269 PolarHBondContact O-N 3.32Å; Y266-A270 PolarHBondContact O-N 3.43Å; Y266-A270 VanDerWaalsContact O-N 3.12Å |
| 267 | R | 93.7 | Very high | 94.4 | Very high | 163 Ų | 163 | 63 Ų | 63 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -53.3 | -39.9 | -174.8 | -178.6 | 177.2 | 175.5 | 95.7 | -2.7 | 113.7 | F260 L261 H263 M269 A270 | F260-R267 WeakPolarHBondContact O-CA 3.35Å; F260-R267 PolarHBondContact O-N 3.36Å; L261-R267 PolarHBondContact O-NH1 3.38Å; H263-R267 WeakPolarHBondContact O-CB 3.15Å; H263-R267 PolarHBondContact O-N 3.32Å; R267-M269 PolarHBondContact O-N 2.6Å; R267-A270 PolarHBondContact O-N 3.07Å |
| 268 | H | 93.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -73 | -13.6 | -178.9 | 66.6 | -70.2 | 0 | 0 | 0 | 114 | E222 S265 Y266 | E222-H268 IonicContact OE1-CD2 3.28Å; E222-H268 IonicContact OE1-CE1 3.5Å; E222-H268 PolarHBondContact OE1-CE1 2.81Å; E222-H268 IonicContact OE1-NE2 3.94Å; E222-H268 PolarHBondContact OE1-NE2 3.04Å; S265-H268 PolarHBondContact O-CE1 3.44Å; Y266-H268 VanDerWaalsContact C-N 3.26Å; Y266-H268 PolarHBondContact O-N 2.97Å; Y266-H268 VanDerWaalsContact O-N 3.16Å |
| 269 | M | 94.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -115.6 | 6.4 | 178 | 67.5 | -178.9 | 80.8 | 0 | 0 | 113.2 | R218 L221 E222 Y266 R267 D271 R272 M273 | R218-M269 HydrophobicContact CG-CE 4.26Å; L221-M269 HydrophobicContact CB-SD 3.64Å; L221-M269 HydrophobicContact CD1-SD 4.18Å; E222-M269 HydrophobicContact CG-CE 3.44Å; E222-M269 VanDerWaalsContact CG-CE 3.44Å; Y266-M269 CarbonylContact O-C 3.57Å; Y266-M269 WeakPolarHBondContact O-CG 3.49Å; Y266-M269 PolarHBondContact O-N 3.32Å; R267-M269 PolarHBondContact O-N 2.6Å; M269-D271 PolarHBondContact O-N 3.43Å; M269-R272 PolarHBondContact O-N 3.32Å; M269-M273 HydrophobicContact CB-CE 4.41Å; M269-M273 HydrophobicContact CG-CE 4.14Å; M269-M273 HydrophobicContact CG-CG 4.09Å; M269-M273 WeakPolarHBondContact O-CG 3.39Å; M269-M273 HydrophobicContact SD-CE 3.72Å |
| 270 | A | 93.3 | Very high | 94 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -55.5 | -26.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R257 F260 L261 Y266 R267 R272 | R257-A270 VanDerWaalsContact NH1-C 3.34Å; R257-A270 PolarHBondContact NH1-O 3.08Å; F260-A270 HydrophobicContact CB-CB 3.79Å; L261-A270 HydrophobicContact CD2-CB 3.81Å; L261-A270 HydrophobicContact CG-CB 4.28Å; Y266-A270 PolarHBondContact O-N 3.43Å; Y266-A270 VanDerWaalsContact O-N 3.12Å; R267-A270 PolarHBondContact O-N 3.07Å; A270-R272 VanDerWaalsContact C-N 3.31Å |
| 271 | D | 93.1 | Very high | 93.8 | Very high | 116 Ų | 116 | 53.1 Ų | 53.1 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -77.1 | -14.7 | 177.1 | -64.7 | -30.5 | 0 | 0 | 0 | 114.2 | R257 M269 F277 | R257-D271 IonicContact CZ-OD1 3.41Å; R257-D271 VanDerWaalsContact CZ-OD1 3.24Å; R257-D271 IonicContact NH1-OD1 3.19Å; R257-D271 PolarHBondContact NH1-OD1 3.25Å; R257-D271 IonicContact NH2-OD1 2.75Å; R257-D271 PolarHBondContact NH2-OD1 3.01Å; M269-D271 PolarHBondContact O-N 3.43Å; D271-F277 WeakPolarHBondContact O-CD2 3.4Å |
| 272 | R | 93.5 | Very high | 93.6 | Very high | 150 Ų | 150 | 50 Ų | 50 | 57% | 0.566 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -107.7 | 20 | 176.4 | -62.7 | -176.3 | -68.5 | 168.2 | -0.3 | 112 | M269 A270 F277 | M269-R272 PolarHBondContact O-N 3.32Å; A270-R272 VanDerWaalsContact C-N 3.31Å; R272-F277 HydrophobicContact CB-CE1 4.01Å; R272-F277 HydrophobicContact CB-CE2 4.36Å; R272-F277 HydrophobicContact CB-CZ 3.93Å; R272-F277 HydrophobicContact CG-CE2 4.33Å; R272-F277 HydrophobicContact CG-CZ 4.13Å; R272-F277 WeakPolarHBondContact O-CD1 3.37Å; R272-F277 WeakPolarHBondContact O-CE1 3.42Å |
| 273 | M | 96.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | trans | -131.7 | 163.6 | -176 | -61.5 | -64.2 | 146.4 | 0 | 0 | 110.5 | L221 G234 F260 M269 | L221-M273 HydrophobicContact CB-CE 4.12Å; L221-M273 HydrophobicContact CD1-SD 4.21Å; L221-M273 HydrophobicContact CD2-CE 4.36Å; L221-M273 HydrophobicContact CD2-SD 4.01Å; G234-M273 PolarHBondContact N-SD 3.36Å; F260-M273 HydrophobicContact CD1-CB 3.76Å; F260-M273 HydrophobicContact CD1-CG 4.1Å; F260-M273 HydrophobicContact CD2-CB 3.99Å; F260-M273 HydrophobicContact CE1-CB 3.72Å; F260-M273 HydrophobicContact CE1-CG 4.02Å; F260-M273 HydrophobicContact CE2-CB 3.95Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.83Å; M269-M273 HydrophobicContact CB-CE 4.41Å; M269-M273 HydrophobicContact CG-CE 4.14Å; M269-M273 HydrophobicContact CG-CG 4.09Å; M269-M273 WeakPolarHBondContact O-CG 3.39Å; M269-M273 HydrophobicContact SD-CE 3.72Å | ||
| 274 | G | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 91.8 | 165.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G234 E256 F277 L278 | G234-G274 WeakPolarHBondContact O-CA 3.38Å; G234-G274 PolarHBondContact O-N 2.88Å; E256-G274 WeakPolarHBondContact OE1-CA 3.07Å; E256-G274 WeakPolarHBondContact OE2-CA 3.28Å; G274-F277 PolarHBondContact O-N 3.46Å; G274-L278 PolarHBondContact O-N 3.05Å |
| 275 | T | 94.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -44.9 | -176 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | N51 F52 L253 E256 F277 L278 Q279 | N51-T275 HydrophobicContact CB-CG2 3.82Å; F52-T275 HydrophobicContact CD1-CG2 3.65Å; F52-T275 HydrophobicContact CE1-CG2 3.85Å; L253-T275 HydrophobicContact CD2-CG2 4.07Å; E256-T275 VanDerWaalsContact CD-N 3.29Å; E256-T275 PolarHBondContact OE1-N 2.82Å; E256-T275 VanDerWaalsContact OE1-N 3.15Å; E256-T275 PolarHBondContact OE1-OG1 2.9Å; E256-T275 VanDerWaalsContact OE1-OG1 3.14Å; E256-T275 PolarHBondContact OE2-N 3.02Å; E256-T275 PolarHBondContact OE2-OG1 2.71Å; T275-F277 VanDerWaalsContact C-N 3.34Å; T275-F277 PolarHBondContact O-N 2.88Å; T275-L278 PolarHBondContact O-N 3.44Å; T275-Q279 PolarHBondContact O-N 3.16Å |
| 276 | P | 92.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.4 | -37.5 | -179.5 | -22.4 | 35.4 | 0 | 0 | 0 | 113 | L253 S280 | L253-P276 HydrophobicContact CD2-CG 4.28Å; P276-S280 PolarHBondContact O-N 2.96Å; P276-S280 VanDerWaalsContact O-N 3.14Å; P276-S280 PolarHBondContact O-OG 3.29Å |
| 277 | F | 94.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.5 | -38.8 | 176.5 | -178.7 | -98.4 | 0 | 0 | 0 | 111.5 | I233 D271 R272 G274 T275 S280 T281 | I233-F277 HydrophobicContact CD1-CD1 3.92Å; I233-F277 HydrophobicContact CD1-CE1 3.79Å; I233-F277 HydrophobicContact CG1-CD1 4.2Å; I233-F277 HydrophobicContact CG1-CE1 4.04Å; I233-F277 HydrophobicContact CG2-CD1 4.04Å; D271-F277 WeakPolarHBondContact O-CD2 3.4Å; R272-F277 HydrophobicContact CB-CE1 4.01Å; R272-F277 HydrophobicContact CB-CE2 4.36Å; R272-F277 HydrophobicContact CB-CZ 3.93Å; R272-F277 HydrophobicContact CG-CE2 4.33Å; R272-F277 HydrophobicContact CG-CZ 4.13Å; R272-F277 WeakPolarHBondContact O-CD1 3.37Å; R272-F277 WeakPolarHBondContact O-CE1 3.42Å; G274-F277 PolarHBondContact O-N 3.46Å; T275-F277 VanDerWaalsContact C-N 3.34Å; T275-F277 PolarHBondContact O-N 2.88Å; F277-S280 PolarHBondContact O-OG 3.42Å; F277-T281 VanDerWaalsContact O-CB 3.28Å; F277-T281 WeakPolarHBondContact O-CB 3.36Å; F277-T281 PolarHBondContact O-N 2.9Å; F277-T281 PolarHBondContact O-OG1 2.87Å |
| 278 | L | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 173.7 | -179.1 | 59 | 0 | 0 | 0 | 110.8 | V48 F52 L173 V204 I233 V235 G274 T275 S280 T281 L282 | V48-L278 HydrophobicContact CG1-CD2 3.89Å; F52-L278 HydrophobicContact CE1-CB 4.31Å; F52-L278 HydrophobicContact CE1-CD2 3.95Å; F52-L278 HydrophobicContact CE1-CG 4.05Å; F52-L278 HydrophobicContact CZ-CB 4.44Å; F52-L278 HydrophobicContact CZ-CD2 3.58Å; F52-L278 HydrophobicContact CZ-CG 3.7Å; L173-L278 HydrophobicContact CD1-CD1 4.42Å; V204-L278 HydrophobicContact CG1-CD2 4.17Å; V204-L278 HydrophobicContact CG2-CD1 3.82Å; V204-L278 HydrophobicContact CG2-CD2 3.9Å; I233-L278 HydrophobicContact CB-CD1 4.17Å; I233-L278 HydrophobicContact CD1-CD1 3.72Å; I233-L278 HydrophobicContact CG2-CB 3.98Å; I233-L278 HydrophobicContact CG2-CD1 4.31Å; V235-L278 HydrophobicContact CG1-CB 4.35Å; V235-L278 HydrophobicContact CG1-CD2 3.8Å; G274-L278 PolarHBondContact O-N 3.05Å; T275-L278 PolarHBondContact O-N 3.44Å; L278-S280 PolarHBondContact O-N 3.28Å; L278-T281 PolarHBondContact O-N 3.44Å; L278-L282 HydrophobicContact CD1-CD1 3.98Å; L278-L282 HydrophobicContact CD1-CD2 4.21Å; L278-L282 HydrophobicContact CD1-CG 3.91Å; L278-L282 HydrophobicContact CG-CD1 3.98Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.34Å |
| 279 | Q | 92.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | -177.9 | -167.6 | 179.3 | 14.7 | 0 | 0 | 112.4 | F52 L131 T275 L282 N283 | F52-Q279 HydrophobicContact CD1-CB 4.03Å; F52-Q279 HydrophobicContact CD1-CG 4.26Å; F52-Q279 HydrophobicContact CE1-CB 4.04Å; L131-Q279 HydrophobicContact CB-CG 4.43Å; L131-Q279 HydrophobicContact CD1-CG 4.26Å; L131-Q279 HydrophobicContact CG-CG 4.47Å; T275-Q279 PolarHBondContact O-N 3.16Å; Q279-L282 PolarHBondContact O-N 3.37Å; Q279-N283 WeakPolarHBondContact O-CB 3.32Å; Q279-N283 PolarHBondContact O-N 3.17Å |
| 280 | S | 90.9 | Very high | 91.5 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 35% | 0.35 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.7 | 63.7 | 0 | 0 | 0 | 0 | 112 | P276 F277 L278 N283 Q284 | P276-S280 PolarHBondContact O-N 2.96Å; P276-S280 VanDerWaalsContact O-N 3.14Å; P276-S280 PolarHBondContact O-OG 3.29Å; F277-S280 PolarHBondContact O-OG 3.42Å; L278-S280 PolarHBondContact O-N 3.28Å; S280-N283 PolarHBondContact O-N 2.87Å; S280-Q284 WeakPolarHBondContact O-CB 3.48Å; S280-Q284 PolarHBondContact O-N 3.06Å |
| 281 | T | 91.7 | Very high | 91 | Very high | 18 Ų | 18 | 36 Ų | 36 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | I233 F277 L278 N283 Q284 Q285 | I233-T281 HydrophobicContact CD1-CG2 4.02Å; F277-T281 VanDerWaalsContact O-CB 3.28Å; F277-T281 WeakPolarHBondContact O-CB 3.36Å; F277-T281 PolarHBondContact O-N 2.9Å; F277-T281 PolarHBondContact O-OG1 2.87Å; L278-T281 PolarHBondContact O-N 3.44Å; T281-N283 PolarHBondContact O-N 3.36Å; T281-Q284 PolarHBondContact O-N 3.14Å; T281-Q285 HydrophobicContact CG2-CG 3.98Å; T281-Q285 WeakPolarHBondContact O-CB 3.26Å; T281-Q285 WeakPolarHBondContact O-CG 3.25Å; T281-Q285 PolarHBondContact O-N 2.97Å |
| 282 | L | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 179.8 | -65.1 | 178.8 | 0 | 0 | 0 | 112.2 | I35 F52 L133 L135 L173 I202 L278 Q279 Q285 L286 | I35-L282 HydrophobicContact CD1-CB 3.98Å; I35-L282 HydrophobicContact CD1-CD2 4.04Å; I35-L282 HydrophobicContact CD1-CG 4.47Å; F52-L282 HydrophobicContact CE2-CD1 3.76Å; F52-L282 HydrophobicContact CZ-CD1 3.72Å; L133-L282 HydrophobicContact CD1-CB 3.98Å; L133-L282 HydrophobicContact CD2-CB 4.07Å; L133-L282 HydrophobicContact CD2-CD1 4.43Å; L135-L282 HydrophobicContact CD2-CD1 4.35Å; L173-L282 HydrophobicContact CD1-CD1 4.35Å; L173-L282 HydrophobicContact CD1-CD2 3.71Å; L173-L282 HydrophobicContact CD2-CD1 3.89Å; I202-L282 HydrophobicContact CD1-CD2 3.6Å; I202-L282 HydrophobicContact CG2-CD2 4.49Å; L278-L282 HydrophobicContact CD1-CD1 3.98Å; L278-L282 HydrophobicContact CD1-CD2 4.21Å; L278-L282 HydrophobicContact CD1-CG 3.91Å; L278-L282 HydrophobicContact CG-CD1 3.98Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.34Å; Q279-L282 PolarHBondContact O-N 3.37Å; L282-Q285 PolarHBondContact O-N 3.37Å; L282-L286 VanDerWaalsContact O-CB 3.26Å; L282-L286 WeakPolarHBondContact O-CB 3.36Å; L282-L286 PolarHBondContact O-N 3.29Å |
| 283 | N | 89.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.3 | 169.5 | -91 | 0 | 0 | 0 | 111.4 | L131 N132 Q279 S280 T281 T287 | L131-N283 HydrophobicContact CB-CB 4.38Å; L131-N283 HydrophobicContact CD1-CB 4.2Å; N132-N283 PolarHBondContact O-ND2 3.12Å; Q279-N283 WeakPolarHBondContact O-CB 3.32Å; Q279-N283 PolarHBondContact O-N 3.17Å; S280-N283 PolarHBondContact O-N 2.87Å; T281-N283 PolarHBondContact O-N 3.36Å; N283-T287 VanDerWaalsContact O-CB 3.3Å; N283-T287 WeakPolarHBondContact O-CB 3.39Å; N283-T287 PolarHBondContact O-N 3.47Å; N283-T287 PolarHBondContact O-OG1 3.04Å |
| 284 | Q | 88.8 | Confident | 89.6 | Confident | 81 Ų | 81 | 28.3 Ų | 28.3 | 38% | 0.379 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.7 | -178.3 | -177.3 | 2.8 | 0 | 0 | 111.8 | S280 T281 T287 N288 T743 | S280-Q284 WeakPolarHBondContact O-CB 3.48Å; S280-Q284 PolarHBondContact O-N 3.06Å; T281-Q284 PolarHBondContact O-N 3.14Å; Q284-T287 PolarHBondContact O-N 2.8Å; Q284-N288 PolarHBondContact O-N 3.34Å; Q284-N288 PolarHBondContact O-ND2 3.27Å; Q284-T743 PolarHBondContact NE2-OG1 2.75Å |
| 285 | Q | 90 | Very high | 89.1 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | -178.8 | -66.4 | -59.5 | -5.1 | 0 | 0 | 111.7 | L171 I202 T281 L282 T287 N288 H289 | L171-Q285 HydrophobicContact CD1-CB 4.26Å; I202-Q285 HydrophobicContact CD1-CB 4.45Å; I202-Q285 HydrophobicContact CD1-CG 4.41Å; T281-Q285 HydrophobicContact CG2-CG 3.98Å; T281-Q285 WeakPolarHBondContact O-CB 3.26Å; T281-Q285 WeakPolarHBondContact O-CG 3.25Å; T281-Q285 PolarHBondContact O-N 2.97Å; L282-Q285 PolarHBondContact O-N 3.37Å; Q285-T287 VanDerWaalsContact C-N 3.34Å; Q285-N288 PolarHBondContact O-N 3.49Å; Q285-H289 WeakPolarHBondContact O-CB 3.49Å; Q285-H289 PolarHBondContact O-N 3.26Å |
| 286 | L | 89 | Confident | 88.7 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 174.5 | -177.2 | 56.5 | 0 | 0 | 0 | 110.7 | I11 I35 L133 L282 N288 H289 I290 | I11-L286 HydrophobicContact CD1-CD2 4.01Å; I11-L286 HydrophobicContact CD1-CG 4.31Å; I11-L286 HydrophobicContact CG1-CD2 4.06Å; I11-L286 HydrophobicContact CG1-CG 4.22Å; I35-L286 HydrophobicContact CD1-CB 4.1Å; I35-L286 HydrophobicContact CG1-CB 4.39Å; I35-L286 HydrophobicContact CG1-CD1 4.13Å; L133-L286 HydrophobicContact CD1-CB 4.42Å; L133-L286 HydrophobicContact CD1-CD2 3.92Å; L282-L286 VanDerWaalsContact O-CB 3.26Å; L282-L286 WeakPolarHBondContact O-CB 3.36Å; L282-L286 PolarHBondContact O-N 3.29Å; L286-N288 PolarHBondContact O-N 3.49Å; L286-H289 PolarHBondContact O-N 2.93Å; L286-I290 HydrophobicContact CD1-CD1 4.02Å; L286-I290 HydrophobicContact CD1-CG1 4.02Å; L286-I290 HydrophobicContact CG-CD1 3.78Å; L286-I290 HydrophobicContact CG-CG1 4.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.44Å; L286-I290 PolarHBondContact O-N 3.39Å |
| 287 | T | 87.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | M7 L10 N283 Q284 Q285 H289 R291 | M7-T287 HydrophobicContact CB-CG2 3.71Å; M7-T287 HydrophobicContact CE-CG2 3.99Å; M7-T287 HydrophobicContact CG-CG2 4.2Å; M7-T287 HydrophobicContact SD-CG2 3.63Å; L10-T287 HydrophobicContact CD1-CG2 4.16Å; N283-T287 VanDerWaalsContact O-CB 3.3Å; N283-T287 WeakPolarHBondContact O-CB 3.39Å; N283-T287 PolarHBondContact O-N 3.47Å; N283-T287 PolarHBondContact O-OG1 3.04Å; Q284-T287 PolarHBondContact O-N 2.8Å; Q285-T287 VanDerWaalsContact C-N 3.34Å; T287-H289 VanDerWaalsContact C-N 3.33Å; T287-H289 PolarHBondContact O-N 3.01Å; T287-R291 WeakPolarHBondContact O-CB 3.15Å; T287-R291 PolarHBondContact O-N 3.33Å; T287-R291 VanDerWaalsContact O-N 3.12Å |
| 288 | N | 86.1 | Confident | 87.9 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.5 | -73.2 | -25.2 | 0 | 0 | 0 | 111.3 | M7 Q284 Q285 L286 R291 D292 T743 | M7-N288 WeakPolarHBondContact CE-OD1 3.48Å; Q284-N288 PolarHBondContact O-N 3.34Å; Q284-N288 PolarHBondContact O-ND2 3.27Å; Q285-N288 PolarHBondContact O-N 3.49Å; L286-N288 PolarHBondContact O-N 3.49Å; N288-R291 WeakPolarHBondContact O-CB 3.43Å; N288-R291 PolarHBondContact O-N 3.49Å; N288-D292 PolarHBondContact O-N 2.98Å; N288-T743 PolarHBondContact ND2-OG1 3.24Å |
| 289 | H | 86.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 36.2 Ų | 36.2 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | -179.1 | -174.4 | 65.1 | 0 | 0 | 0 | 112.8 | N169 L171 Q285 L286 T287 R291 D292 T293 | N169-H289 VanDerWaalsContact C-NE2 3.3Å; N169-H289 PolarHBondContact O-NE2 2.85Å; L171-H289 HydrophobicContact CD1-CB 3.99Å; L171-H289 HydrophobicContact CD2-CB 4.43Å; L171-H289 HydrophobicContact CG-CB 4.37Å; Q285-H289 WeakPolarHBondContact O-CB 3.49Å; Q285-H289 PolarHBondContact O-N 3.26Å; L286-H289 PolarHBondContact O-N 2.93Å; T287-H289 VanDerWaalsContact C-N 3.33Å; T287-H289 PolarHBondContact O-N 3.01Å; H289-R291 VanDerWaalsContact C-N 3.28Å; H289-R291 PolarHBondContact O-N 3.26Å; H289-D292 PolarHBondContact O-N 3.5Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.44Å; H289-T293 PolarHBondContact O-N 3.4Å; H289-T293 PolarHBondContact O-OG1 3.43Å |
| 290 | I | 86 | Confident | 87.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -47 | 172.7 | -65.6 | 167.1 | 0 | 0 | 0 | 109.4 | L10 I11 V14 P33 L286 D292 T293 L294 | L10-I290 HydrophobicContact CB-CB 4.41Å; L10-I290 HydrophobicContact CB-CD1 4.48Å; L10-I290 HydrophobicContact CB-CG2 3.94Å; L10-I290 HydrophobicContact CD2-CG2 4.4Å; I11-I290 HydrophobicContact CB-CD1 4.38Å; I11-I290 HydrophobicContact CG1-CD1 3.65Å; V14-I290 HydrophobicContact CB-CD1 4.37Å; V14-I290 HydrophobicContact CG2-CB 4.38Å; V14-I290 HydrophobicContact CG2-CD1 3.78Å; V14-I290 HydrophobicContact CG2-CG1 3.88Å; V14-I290 HydrophobicContact CG2-CG2 3.57Å; P33-I290 HydrophobicContact CB-CB 4.42Å; P33-I290 HydrophobicContact CB-CG1 3.79Å; P33-I290 HydrophobicContact CG-CB 4.14Å; P33-I290 HydrophobicContact CG-CG1 3.68Å; P33-I290 HydrophobicContact CG-CG2 4.21Å; L286-I290 HydrophobicContact CD1-CD1 4.02Å; L286-I290 HydrophobicContact CD1-CG1 4.02Å; L286-I290 HydrophobicContact CG-CD1 3.78Å; L286-I290 HydrophobicContact CG-CG1 4.25Å; L286-I290 WeakPolarHBondContact O-CG1 3.44Å; L286-I290 PolarHBondContact O-N 3.39Å; I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.44Å; I290-T293 PolarHBondContact O-N 3.19Å; I290-T293 PolarHBondContact O-OG1 2.8Å; I290-L294 HydrophobicContact CG2-CD2 4.42Å; I290-L294 WeakPolarHBondContact O-CB 3.31Å; I290-L294 PolarHBondContact O-N 3.49Å |
| 291 | R | 83.6 | Confident | 87.1 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | -177.9 | -172.3 | -129.1 | 177.3 | 102.8 | 13 | 113 | L10 T287 N288 H289 P295 T740 | L10-R291 HydrophobicContact CD1-CB 3.82Å; L10-R291 HydrophobicContact CD1-CG 4.36Å; T287-R291 WeakPolarHBondContact O-CB 3.15Å; T287-R291 PolarHBondContact O-N 3.33Å; T287-R291 VanDerWaalsContact O-N 3.12Å; N288-R291 WeakPolarHBondContact O-CB 3.43Å; N288-R291 PolarHBondContact O-N 3.49Å; H289-R291 VanDerWaalsContact C-N 3.28Å; H289-R291 PolarHBondContact O-N 3.26Å; R291-P295 VanDerWaalsContact O-CD 3.25Å; R291-P295 WeakPolarHBondContact O-CD 3.44Å; R291-T740 PolarHBondContact NH1-O 3.03Å; R291-T740 PolarHBondContact NH1-OG1 2.84Å; R291-T740 PolarHBondContact NH2-O 2.69Å; R291-T740 PolarHBondContact NH2-OG1 3.35Å |
| 292 | D | 84.9 | Confident | 87 | Confident | 99 Ų | 99 | 39.8 Ų | 39.8 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -76.2 | -32.1 | -178.5 | -65.9 | -17 | 0 | 0 | 0 | 112.3 | N288 H289 I290 | N288-D292 PolarHBondContact O-N 2.98Å; H289-D292 PolarHBondContact O-N 3.5Å; I290-D292 VanDerWaalsContact C-N 3.32Å; I290-D292 PolarHBondContact O-N 3.44Å |
| 293 | T | 84.3 | Confident | 86.9 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -90 | -30.2 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | P33 N169 H289 I290 P295 G296 L297 | P33-T293 WeakPolarHBondContact CB-OG1 3.36Å; N169-T293 HydrophobicContact CB-CG2 4.49Å; N169-T293 VanDerWaalsContact OD1-CG2 3.26Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.25Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.44Å; H289-T293 PolarHBondContact O-N 3.4Å; H289-T293 PolarHBondContact O-OG1 3.43Å; I290-T293 PolarHBondContact O-N 3.19Å; I290-T293 PolarHBondContact O-OG1 2.8Å; T293-P295 VanDerWaalsContact C-CD 3.49Å; T293-G296 PolarHBondContact O-N 3.36Å; T293-G296 VanDerWaalsContact O-N 3.13Å; T293-L297 PolarHBondContact O-N 3.45Å |
| 294 | L | 84.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -37.5 | -174 | -171 | 64 | 0 | 0 | 0 | 114.4 | L10 L13 L17 I290 G296 L297 R298 I733 M738 | L10-L294 HydrophobicContact CD2-CD2 4.23Å; L13-L294 HydrophobicContact CD2-CD1 4.01Å; L13-L294 HydrophobicContact CD2-CD2 3.71Å; L17-L294 HydrophobicContact CD1-CD1 4.44Å; I290-L294 HydrophobicContact CG2-CD2 4.42Å; I290-L294 WeakPolarHBondContact O-CB 3.31Å; I290-L294 PolarHBondContact O-N 3.49Å; L294-G296 VanDerWaalsContact C-N 3.35Å; L294-G296 PolarHBondContact O-N 3.32Å; L294-L297 HydrophobicContact CD1-CD2 4.19Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-R298 WeakPolarHBondContact O-CB 3.36Å; L294-R298 PolarHBondContact O-N 3.12Å; L294-I733 HydrophobicContact CD1-CD1 4.24Å; L294-I733 HydrophobicContact CD1-CG1 4.1Å; L294-I733 HydrophobicContact CD1-CG2 4.45Å; L294-I733 HydrophobicContact CG-CG2 4.44Å; L294-M738 HydrophobicContact CB-CE 3.45Å; L294-M738 VanDerWaalsContact CB-CE 3.45Å; L294-M738 HydrophobicContact CD2-CE 3.36Å; L294-M738 HydrophobicContact CG-CE 3.3Å |
| 295 | P | 84.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.1 | -22.7 | 32.8 | 0 | 0 | 0 | 112.9 | R291 T293 R298 N299 M738 | R291-P295 VanDerWaalsContact O-CD 3.25Å; R291-P295 WeakPolarHBondContact O-CD 3.44Å; T293-P295 VanDerWaalsContact C-CD 3.49Å; P295-R298 PolarHBondContact O-N 3.39Å; P295-N299 PolarHBondContact O-N 2.89Å; P295-N299 VanDerWaalsContact O-N 3.13Å; P295-N299 PolarHBondContact O-ND2 2.94Å; P295-M738 HydrophobicContact CG-CE 3.83Å; P295-M738 HydrophobicContact CG-SD 3.92Å |
| 296 | G | 86.2 | Confident | 86.6 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T293 L294 R298 N299 K300 | T293-G296 PolarHBondContact O-N 3.36Å; T293-G296 VanDerWaalsContact O-N 3.13Å; L294-G296 VanDerWaalsContact C-N 3.35Å; L294-G296 PolarHBondContact O-N 3.32Å; G296-R298 PolarHBondContact O-N 3.29Å; G296-N299 PolarHBondContact O-N 3.04Å; G296-K300 PolarHBondContact O-N 2.9Å |
| 297 | L | 84.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.3 | -179.3 | 63.3 | 0 | 0 | 0 | 111.8 | L30 L32 T293 L294 N299 K300 L301 | L30-L297 HydrophobicContact CB-CD1 4.41Å; L30-L297 HydrophobicContact CD2-CD1 4.01Å; L32-L297 HydrophobicContact CD2-CD2 3.72Å; T293-L297 PolarHBondContact O-N 3.45Å; L294-L297 HydrophobicContact CD1-CD2 4.19Å; L294-L297 PolarHBondContact O-N 3.47Å; L297-N299 PolarHBondContact O-N 3.25Å; L297-K300 PolarHBondContact O-N 3.27Å; L297-L301 HydrophobicContact CD1-CD1 4.36Å; L297-L301 HydrophobicContact CD1-CG 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 WeakPolarHBondContact O-CB 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.96Å |
| 298 | R | 86.8 | Confident | 86.3 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 176.4 | -177.1 | -175.9 | 173.1 | 177.1 | 0.3 | 111.7 | L294 P295 G296 L301 Q302 L730 I733 | L294-R298 WeakPolarHBondContact O-CB 3.36Å; L294-R298 PolarHBondContact O-N 3.12Å; P295-R298 PolarHBondContact O-N 3.39Å; G296-R298 PolarHBondContact O-N 3.29Å; R298-L301 PolarHBondContact O-N 3.11Å; R298-Q302 WeakPolarHBondContact O-CB 3.29Å; R298-Q302 PolarHBondContact O-N 3.45Å; R298-L730 HydrophobicContact CG-CD2 4.02Å; R298-I733 HydrophobicContact CB-CD1 4.49Å; R298-I733 HydrophobicContact CB-CG2 4.16Å; R298-I733 HydrophobicContact CG-CG2 4.11Å |
| 299 | N | 88.5 | Confident | 86.3 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 179.1 | -69.9 | -18.3 | 0 | 0 | 0 | 111.3 | P295 G296 L297 Q302 S303 | P295-N299 PolarHBondContact O-N 2.89Å; P295-N299 VanDerWaalsContact O-N 3.13Å; P295-N299 PolarHBondContact O-ND2 2.94Å; G296-N299 PolarHBondContact O-N 3.04Å; L297-N299 PolarHBondContact O-N 3.25Å; N299-Q302 PolarHBondContact O-N 2.91Å; N299-S303 WeakPolarHBondContact O-CB 3.41Å; N299-S303 PolarHBondContact O-N 3.34Å; N299-S303 PolarHBondContact O-OG 2.88Å |
| 300 | K | 86.9 | Confident | 86 | Confident | 85 Ų | 85 | 59 Ų | 59 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 176.9 | -170.9 | -178.1 | -177.4 | -172 | 0 | 111.4 | N29 D31 G296 L297 S303 Q304 | N29-K300 PolarHBondContact O-NZ 3.38Å; D31-K300 IonicContact OD2-NZ 3.76Å; D31-K300 PolarHBondContact OD2-NZ 2.9Å; G296-K300 PolarHBondContact O-N 2.9Å; L297-K300 PolarHBondContact O-N 3.27Å; K300-S303 PolarHBondContact O-N 2.62Å; K300-Q304 WeakPolarHBondContact O-CG 3.38Å; K300-Q304 PolarHBondContact O-N 3.29Å |
| 301 | L | 86.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 177 | -81.1 | 172 | 0 | 0 | 0 | 112.4 | F21 L30 L297 R298 Q304 M305 M726 A729 L730 I733 | F21-L301 HydrophobicContact CZ-CD2 4.36Å; L30-L301 HydrophobicContact CD1-CD2 3.58Å; L30-L301 HydrophobicContact CD1-CG 4.46Å; L30-L301 HydrophobicContact CD2-CD2 3.57Å; L30-L301 HydrophobicContact CD2-CG 4Å; L30-L301 HydrophobicContact CG-CD2 4.23Å; L297-L301 HydrophobicContact CD1-CD1 4.36Å; L297-L301 HydrophobicContact CD1-CG 4.46Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 WeakPolarHBondContact O-CB 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.96Å; R298-L301 PolarHBondContact O-N 3.11Å; L301-Q304 PolarHBondContact O-N 3.11Å; L301-M305 WeakPolarHBondContact O-CB 3.47Å; L301-M305 PolarHBondContact O-N 3.47Å; L301-M726 HydrophobicContact CD2-CG 4.14Å; L301-A729 HydrophobicContact CD1-CB 4.19Å; L301-L730 HydrophobicContact CB-CD2 3.9Å; L301-L730 HydrophobicContact CB-CG 4.18Å; L301-I733 HydrophobicContact CD1-CD1 3.67Å |
| 302 | Q | 89.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | -179.5 | -173.6 | 173.5 | -3.5 | 0 | 0 | 111.9 | R298 N299 M305 L306 L730 | R298-Q302 WeakPolarHBondContact O-CB 3.29Å; R298-Q302 PolarHBondContact O-N 3.45Å; N299-Q302 PolarHBondContact O-N 2.91Å; Q302-M305 PolarHBondContact O-N 2.78Å; Q302-L306 HydrophobicContact CG-CD1 4.22Å; Q302-L306 WeakPolarHBondContact O-CB 3.41Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.32Å; Q302-L306 PolarHBondContact O-N 2.84Å; Q302-L730 HydrophobicContact CB-CD1 4.37Å; Q302-L730 HydrophobicContact CB-CD2 4.24Å |
| 303 | S | 89.2 | Confident | 85.3 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 176.7 | -65 | 0 | 0 | 0 | 0 | 112.5 | N299 K300 A307 | N299-S303 WeakPolarHBondContact O-CB 3.41Å; N299-S303 PolarHBondContact O-N 3.34Å; N299-S303 PolarHBondContact O-OG 2.88Å; K300-S303 PolarHBondContact O-N 2.62Å; S303-A307 PolarHBondContact O-N 3.02Å; S303-A307 VanDerWaalsContact O-N 3.09Å |
| 304 | Q | 86.8 | Confident | 84.8 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177 | -72.9 | -177.3 | -25.4 | 0 | 0 | 112 | K300 L301 L306 A307 M308 M726 | K300-Q304 WeakPolarHBondContact O-CG 3.38Å; K300-Q304 PolarHBondContact O-N 3.29Å; L301-Q304 PolarHBondContact O-N 3.11Å; Q304-L306 PolarHBondContact O-N 3.48Å; Q304-A307 PolarHBondContact O-N 3.32Å; Q304-M308 WeakPolarHBondContact O-CG 3.26Å; Q304-M308 PolarHBondContact O-N 2.82Å; Q304-M726 HydrophobicContact CB-CE 3.66Å; Q304-M726 HydrophobicContact CB-SD 3.84Å |
| 305 | M | 87.2 | Confident | 84.3 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 176.6 | -175.8 | -163.7 | 72.2 | 0 | 0 | 111.6 | L301 Q302 A307 M308 E309 Y723 M726 K727 L730 | L301-M305 WeakPolarHBondContact O-CB 3.47Å; L301-M305 PolarHBondContact O-N 3.47Å; Q302-M305 PolarHBondContact O-N 2.78Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.58Å; M305-M308 PolarHBondContact O-N 3.28Å; M305-E309 WeakPolarHBondContact O-CB 3.4Å; M305-E309 PolarHBondContact O-N 3.36Å; M305-Y723 HydrophobicContact CG-CD2 3.89Å; M305-Y723 HydrophobicContact CG-CE2 3.64Å; M305-M726 HydrophobicContact CB-CB 4.16Å; M305-M726 HydrophobicContact CB-SD 4.14Å; M305-M726 HydrophobicContact CG-CB 4.4Å; M305-K727 HydrophobicContact SD-CB 4.39Å; M305-L730 HydrophobicContact CB-CD1 4.36Å; M305-L730 HydrophobicContact CE-CD1 4.03Å; M305-L730 HydrophobicContact SD-CD1 3.55Å; M305-L730 VanDerWaalsContact SD-CD1 3.55Å |
| 306 | L | 88.5 | Confident | 83.6 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 48% | 0.482 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 178.7 | -72.9 | 172.6 | 0 | 0 | 0 | 112.5 | Q302 Q304 M308 E309 | Q302-L306 HydrophobicContact CG-CD1 4.22Å; Q302-L306 WeakPolarHBondContact O-CB 3.41Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.32Å; Q302-L306 PolarHBondContact O-N 2.84Å; Q304-L306 PolarHBondContact O-N 3.48Å; L306-M308 VanDerWaalsContact C-N 3.31Å; L306-M308 PolarHBondContact O-N 2.83Å; L306-E309 WeakPolarHBondContact CD2-OE2 3.4Å; L306-E309 PolarHBondContact O-N 3.5Å |
| 307 | A | 86.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 76 Ų | 76 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S303 Q304 M305 | S303-A307 PolarHBondContact O-N 3.02Å; S303-A307 VanDerWaalsContact O-N 3.09Å; Q304-A307 PolarHBondContact O-N 3.32Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.58Å |
| 308 | M | 83.9 | Confident | 81.5 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.1 | -17.9 | 178.7 | -66.2 | 174.5 | 58.7 | 0 | 0 | 113.6 | Q304 M305 L306 K310 E311 V312 M719 V722 Y723 M726 | Q304-M308 WeakPolarHBondContact O-CG 3.26Å; Q304-M308 PolarHBondContact O-N 2.82Å; M305-M308 PolarHBondContact O-N 3.28Å; L306-M308 VanDerWaalsContact C-N 3.31Å; L306-M308 PolarHBondContact O-N 2.83Å; M308-K310 VanDerWaalsContact C-N 3.32Å; M308-K310 PolarHBondContact O-N 3.06Å; M308-E311 PolarHBondContact O-N 3.41Å; M308-V312 HydrophobicContact CB-CG2 4.42Å; M308-V312 WeakPolarHBondContact O-CB 3.45Å; M308-V312 WeakPolarHBondContact O-CG2 3.36Å; M308-V312 PolarHBondContact O-N 3.13Å; M308-M719 HydrophobicContact CE-CG 3.69Å; M308-M719 WeakPolarHBondContact CE-O 3.39Å; M308-M719 HydrophobicContact CE-SD 3.8Å; M308-V722 HydrophobicContact CE-CB 3.94Å; M308-V722 HydrophobicContact CE-CG1 3.79Å; M308-V722 HydrophobicContact SD-CG1 4.06Å; M308-Y723 HydrophobicContact CB-CD2 4.47Å; M308-M726 HydrophobicContact SD-CE 3.99Å; M308-M726 HydrophobicContact SD-SD 4.23Å |
| 309 | E | 84.6 | Confident | 80.3 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57 | -43.6 | -170.5 | -174.1 | 157.1 | -125.2 | 0 | 0 | 112.7 | M305 L306 V312 E313 Y723 | M305-E309 WeakPolarHBondContact O-CB 3.4Å; M305-E309 PolarHBondContact O-N 3.36Å; L306-E309 WeakPolarHBondContact CD2-OE2 3.4Å; L306-E309 PolarHBondContact O-N 3.5Å; E309-V312 PolarHBondContact O-N 3.24Å; E309-E313 VanDerWaalsContact O-CB 3.24Å; E309-E313 WeakPolarHBondContact O-CB 3.49Å; E309-E313 PolarHBondContact O-N 3.28Å; E309-Y723 HydrophobicContact CB-CE2 3.87Å; E309-Y723 HydrophobicContact CG-CE2 4.01Å; E309-Y723 PolarHBondContact OE1-OH 3.36Å |
| 310 | K | 80.5 | Confident | 78.9 | Confident | 145 Ų | 145 | 77.6 Ų | 77.6 | 63% | 0.63 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 179.1 | -173.7 | -175.7 | 173.7 | -168.9 | 0 | 112.3 | M308 E313 E314 | M308-K310 VanDerWaalsContact C-N 3.32Å; M308-K310 PolarHBondContact O-N 3.06Å; K310-E313 PolarHBondContact O-N 3.47Å; K310-E314 WeakPolarHBondContact CE-OE1 3.25Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 2.99Å; K310-E314 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 78.9 | Confident | 77.8 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | -179.3 | -63.7 | -178.2 | -169.5 | 0 | 0 | 111.2 | M308 E314 Y315 M719 | M308-E311 PolarHBondContact O-N 3.41Å; E311-E314 PolarHBondContact O-N 3.25Å; E311-Y315 WeakPolarHBondContact O-CD2 3.41Å; E311-Y315 PolarHBondContact O-N 3.05Å; E311-M719 HydrophobicContact CB-CE 4.12Å; E311-M719 WeakPolarHBondContact OE2-CE 3.42Å |
| 312 | V | 83 | Confident | 77.2 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.006 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | 176.7 | 172 | 0 | 0 | 0 | 0 | 111.9 | M308 E309 Y315 K316 M719 V720 Y723 | M308-V312 HydrophobicContact CB-CG2 4.42Å; M308-V312 WeakPolarHBondContact O-CB 3.45Å; M308-V312 WeakPolarHBondContact O-CG2 3.36Å; M308-V312 PolarHBondContact O-N 3.13Å; E309-V312 PolarHBondContact O-N 3.24Å; V312-Y315 CarbonylContact O-C 3.41Å; V312-Y315 PolarHBondContact O-N 3.33Å; V312-K316 HydrophobicContact CG1-CD 4.01Å; V312-K316 HydrophobicContact CG1-CG 4.21Å; V312-K316 WeakPolarHBondContact O-CB 3.38Å; V312-K316 WeakPolarHBondContact O-CG 3.34Å; V312-K316 PolarHBondContact O-N 3.33Å; V312-M719 HydrophobicContact CG2-CG 3.55Å; V312-V720 HydrophobicContact CG1-CG2 4.29Å; V312-Y723 HydrophobicContact CB-CD2 4.34Å; V312-Y723 HydrophobicContact CB-CG 4.18Å; V312-Y723 HydrophobicContact CG1-CD1 3.79Å; V312-Y723 HydrophobicContact CG1-CD2 4.4Å; V312-Y723 HydrophobicContact CG1-CE1 4.32Å; V312-Y723 HydrophobicContact CG1-CG 3.84Å; V312-Y723 HydrophobicContact CG2-CD2 4.3Å; V312-Y723 HydrophobicContact CG2-CG 4.06Å |
| 313 | E | 77.8 | Confident | 76.6 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.2 | -169.2 | 167.7 | -154 | 0 | 0 | 110.9 | E309 K310 Y315 K316 H317 | E309-E313 VanDerWaalsContact O-CB 3.24Å; E309-E313 WeakPolarHBondContact O-CB 3.49Å; E309-E313 PolarHBondContact O-N 3.28Å; K310-E313 PolarHBondContact O-N 3.47Å; E313-Y315 VanDerWaalsContact C-N 3.3Å; E313-Y315 PolarHBondContact O-N 3.5Å; E313-K316 PolarHBondContact O-N 3.43Å; E313-H317 PolarHBondContact O-N 3.43Å; E313-H317 VanDerWaalsContact O-N 3.12Å; E313-H317 PolarHBondContact O-ND1 2.89Å |
| 314 | E | 73.9 | Confident | 76.2 | Confident | 119 Ų | 119 | 80.7 Ų | 80.7 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 171 | -71 | 174.9 | -166.7 | 0 | 0 | 111.4 | K310 E311 Y318 | K310-E314 WeakPolarHBondContact CE-OE1 3.25Å; K310-E314 WeakPolarHBondContact O-CG 3.37Å; K310-E314 PolarHBondContact O-N 2.99Å; K310-E314 VanDerWaalsContact O-N 3.09Å; E311-E314 PolarHBondContact O-N 3.25Å; E314-Y318 PolarHBondContact O-N 2.81Å; E314-Y318 VanDerWaalsContact O-N 3.17Å |
| 315 | Y | 75.3 | Confident | 75.8 | Confident | 61 Ų | 61 | 81.8 Ų | 81.8 | 24% | 0.239 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.8 | -29.9 | 176.5 | -68.5 | -41.3 | 0 | 0 | 0 | 115.3 | E311 V312 E313 H317 Y318 R716 M719 | E311-Y315 WeakPolarHBondContact O-CD2 3.41Å; E311-Y315 PolarHBondContact O-N 3.05Å; V312-Y315 CarbonylContact O-C 3.41Å; V312-Y315 PolarHBondContact O-N 3.33Å; E313-Y315 VanDerWaalsContact C-N 3.3Å; E313-Y315 PolarHBondContact O-N 3.5Å; Y315-H317 VanDerWaalsContact C-N 3.35Å; Y315-Y318 WeakPolarHBondContact O-CB 3.32Å; Y315-Y318 PolarHBondContact O-N 3.01Å; Y315-R716 HydrophobicContact CD1-CB 4.29Å; Y315-R716 HydrophobicContact CD1-CG 3.54Å; Y315-R716 HydrophobicContact CD2-CG 3.92Å; Y315-R716 HydrophobicContact CE1-CB 4.28Å; Y315-R716 HydrophobicContact CE1-CG 4.04Å; Y315-R716 HydrophobicContact CE2-CB 4.5Å; Y315-R716 HydrophobicContact CE2-CG 4.37Å; Y315-R716 HydrophobicContact CG-CB 4.41Å; Y315-R716 HydrophobicContact CG-CG 3.49Å; Y315-R716 VanDerWaalsContact CG-CG 3.49Å; Y315-M719 HydrophobicContact CD2-CE 4.48Å; Y315-M719 HydrophobicContact CD2-CG 4.48Å; Y315-M719 HydrophobicContact CE2-CB 4.49Å; Y315-M719 HydrophobicContact CE2-CE 3.63Å; Y315-M719 HydrophobicContact CE2-CG 4.41Å |
| 316 | K | 69.5 | Low | 75.6 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 45% | 0.448 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.7 | -31.8 | 175.9 | -78.8 | -180 | 176.6 | 178.1 | 0 | 111.5 | V312 E313 Y318 D724 | V312-K316 HydrophobicContact CG1-CD 4.01Å; V312-K316 HydrophobicContact CG1-CG 4.21Å; V312-K316 WeakPolarHBondContact O-CB 3.38Å; V312-K316 WeakPolarHBondContact O-CG 3.34Å; V312-K316 PolarHBondContact O-N 3.33Å; E313-K316 PolarHBondContact O-N 3.43Å; K316-Y318 VanDerWaalsContact C-N 3.27Å; K316-D724 IonicContact NZ-OD1 3.53Å; K316-D724 PolarHBondContact NZ-OD1 3.4Å |
| 317 | H | 65.3 | Low | 75.5 | Confident | 136 Ų | 136 | 79.8 Ų | 79.8 | 63% | 0.63 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -79.7 | -11.8 | 172 | -67.7 | 88.2 | 0 | 0 | 0 | 112.9 | E313 Y315 K319 | E313-H317 PolarHBondContact O-N 3.43Å; E313-H317 VanDerWaalsContact O-N 3.12Å; E313-H317 PolarHBondContact O-ND1 2.89Å; Y315-H317 VanDerWaalsContact C-N 3.35Å; H317-K319 PolarHBondContact O-N 2.8Å |
| 318 | Y | 62 | Low | 75.5 | Confident | 34 Ų | 34 | 83 Ų | 83 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | trans | -63.7 | 107.3 | 175 | -174 | -98.8 | 0 | 0 | 0 | 110.5 | E314 Y315 K316 P320 F325 E708 | E314-Y318 PolarHBondContact O-N 2.81Å; E314-Y318 VanDerWaalsContact O-N 3.17Å; Y315-Y318 WeakPolarHBondContact O-CB 3.32Å; Y315-Y318 PolarHBondContact O-N 3.01Å; K316-Y318 VanDerWaalsContact C-N 3.27Å; Y318-P320 HydrophobicContact CD1-CG 4.07Å; Y318-P320 HydrophobicContact CE1-CB 4.15Å; Y318-P320 HydrophobicContact CE1-CG 3.79Å; Y318-P320 WeakPolarHBondContact O-CD 3.4Å; Y318-F325 HydrophobicContact CD2-CE1 4.03Å; Y318-F325 HydrophobicContact CD2-CZ 4.09Å; Y318-F325 HydrophobicContact CE2-CD1 4.03Å; Y318-F325 AromaticContact CE2-CE1 3.46Å; Y318-F325 HydrophobicContact CE2-CE1 3.46Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.46Å; Y318-F325 AromaticContact CE2-CZ 3.91Å; Y318-F325 HydrophobicContact CE2-CZ 3.91Å; Y318-E708 WeakPolarHBondContact CE1-OE1 3.13Å; Y318-E708 WeakPolarHBondContact CE2-OE1 3.16Å; Y318-E708 WeakPolarHBondContact OH-CG 3.49Å; Y318-E708 PolarHBondContact OH-OE1 3.45Å | ||
| 319 | K | 62 | Low | 75.7 | Confident | 139 Ų | 139 | 82.3 Ų | 82.3 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | trans | -100.9 | 108.4 | 170.2 | -71.3 | -179.8 | -175.9 | 176.1 | 0 | 108.1 | H317 S321 D322 | H317-K319 PolarHBondContact O-N 2.8Å; K319-S321 PolarHBondContact O-N 3.48Å; K319-D322 HydrophobicContact CB-CB 4.01Å; K319-D322 PolarHBondContact O-N 2.97Å | ||
| 320 | P | 58.7 | Low | 76 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.3 | 176 | -19.7 | 27.8 | 0 | 0 | 0 | 113.1 | Y318 K326 | Y318-P320 HydrophobicContact CD1-CG 4.07Å; Y318-P320 HydrophobicContact CE1-CB 4.15Å; Y318-P320 HydrophobicContact CE1-CG 3.79Å; Y318-P320 WeakPolarHBondContact O-CD 3.4Å; P320-K326 WeakPolarHBondContact O-CE 3.42Å; P320-K326 PolarHBondContact O-NZ 3.45Å |
| 321 | S | 63.6 | Low | 76.5 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.2 | 180 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | K319 P323 | K319-S321 PolarHBondContact O-N 3.48Å; S321-P323 WeakPolarHBondContact O-CD 3.39Å |
| 322 | D | 73.7 | Confident | 77.1 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 32% | 0.316 | 39% | 0.387 | S | S | . | . | trans | -77.2 | 110.9 | -179 | -168.9 | -24.9 | 0 | 0 | 0 | 110.8 | K319 S324 F325 K326 | K319-D322 HydrophobicContact CB-CB 4.01Å; K319-D322 PolarHBondContact O-N 2.97Å; D322-S324 VanDerWaalsContact C-N 3.25Å; D322-S324 PolarHBondContact O-N 3.35Å; D322-S324 WeakPolarHBondContact OD1-CB 3.28Å; D322-S324 PolarHBondContact OD1-N 3.07Å; D322-S324 PolarHBondContact OD1-OG 3.3Å; D322-S324 PolarHBondContact OD2-OG 3.37Å; D322-F325 HydrophobicContact CB-CB 4.16Å; D322-F325 PolarHBondContact O-N 3.33Å; D322-K326 PolarHBondContact O-N 2.97Å | ||
| 323 | P | 77 | Confident | 77.6 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.6 | -29.1 | -178.6 | -18.5 | 34.2 | 0 | 0 | 0 | 112.4 | S321 T327 | S321-P323 WeakPolarHBondContact O-CD 3.39Å; P323-T327 WeakPolarHBondContact O-CB 3.49Å; P323-T327 PolarHBondContact O-N 2.88Å; P323-T327 PolarHBondContact O-OG1 3.43Å |
| 324 | S | 81 | Confident | 78.4 | Confident | 78 Ų | 78 | 71.7 Ų | 71.7 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | -177.1 | 72 | 0 | 0 | 0 | 0 | 111.5 | D322 T327 K328 | D322-S324 VanDerWaalsContact C-N 3.25Å; D322-S324 PolarHBondContact O-N 3.35Å; D322-S324 WeakPolarHBondContact OD1-CB 3.28Å; D322-S324 PolarHBondContact OD1-N 3.07Å; D322-S324 PolarHBondContact OD1-OG 3.3Å; D322-S324 PolarHBondContact OD2-OG 3.37Å; S324-T327 PolarHBondContact O-N 2.98Å; S324-K328 PolarHBondContact O-N 3.35Å |
| 325 | F | 78.6 | Confident | 79.3 | Confident | 98 Ų | 98 | 70.6 Ų | 70.6 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 174.7 | -178.1 | -88.2 | 0 | 0 | 0 | 111 | Y318 D322 T327 K328 A329 | Y318-F325 HydrophobicContact CD2-CE1 4.03Å; Y318-F325 HydrophobicContact CD2-CZ 4.09Å; Y318-F325 HydrophobicContact CE2-CD1 4.03Å; Y318-F325 AromaticContact CE2-CE1 3.46Å; Y318-F325 HydrophobicContact CE2-CE1 3.46Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.46Å; Y318-F325 AromaticContact CE2-CZ 3.91Å; Y318-F325 HydrophobicContact CE2-CZ 3.91Å; D322-F325 HydrophobicContact CB-CB 4.16Å; D322-F325 PolarHBondContact O-N 3.33Å; F325-T327 VanDerWaalsContact C-N 3.34Å; F325-T327 PolarHBondContact O-N 2.93Å; F325-K328 PolarHBondContact O-N 3.38Å; F325-A329 HydrophobicContact CE1-CB 4.3Å; F325-A329 WeakPolarHBondContact O-CB 3.49Å; F325-A329 PolarHBondContact O-N 3.34Å |
| 326 | K | 83.3 | Confident | 80.2 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 8% | 0.078 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.5 | -75.3 | -176.7 | 173.9 | 171.5 | 0 | 112.5 | P320 D322 K328 A329 L330 L702 N703 M706 | P320-K326 WeakPolarHBondContact O-CE 3.42Å; P320-K326 PolarHBondContact O-NZ 3.45Å; D322-K326 PolarHBondContact O-N 2.97Å; K326-K328 PolarHBondContact O-N 2.98Å; K326-A329 PolarHBondContact O-N 3.23Å; K326-L330 VanDerWaalsContact O-CB 3.26Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 2.98Å; K326-L702 HydrophobicContact CB-CD1 4.35Å; K326-L702 HydrophobicContact CB-CD2 4.04Å; K326-L702 HydrophobicContact CB-CG 4.05Å; K326-N703 PolarHBondContact NZ-OD1 3.35Å; K326-M706 HydrophobicContact CB-CB 4.2Å; K326-M706 HydrophobicContact CB-CG 4.13Å; K326-M706 HydrophobicContact CD-CB 3.96Å; K326-M706 HydrophobicContact CG-CB 3.88Å; K326-M706 HydrophobicContact CG-CG 4.38Å |
| 327 | T | 86.9 | Confident | 81.5 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.7 | -59 | 0 | 0 | 0 | 0 | 111.1 | P323 S324 F325 L331 | P323-T327 WeakPolarHBondContact O-CB 3.49Å; P323-T327 PolarHBondContact O-N 2.88Å; P323-T327 PolarHBondContact O-OG1 3.43Å; S324-T327 PolarHBondContact O-N 2.98Å; F325-T327 VanDerWaalsContact C-N 3.34Å; F325-T327 PolarHBondContact O-N 2.93Å; T327-L331 WeakPolarHBondContact O-CB 3.23Å; T327-L331 PolarHBondContact O-N 3.37Å |
| 328 | K | 86.7 | Confident | 82.9 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.6 | -43.4 | 178.1 | -173.1 | 179.9 | 179.6 | -176.6 | 0 | 112 | S324 F325 K326 L331 L332 | S324-K328 PolarHBondContact O-N 3.35Å; F325-K328 PolarHBondContact O-N 3.38Å; K326-K328 PolarHBondContact O-N 2.98Å; K328-L331 PolarHBondContact O-N 2.9Å; K328-L332 HydrophobicContact CG-CD1 4.18Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 3.37Å |
| 329 | A | 86.7 | Confident | 84.4 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F325 K326 L332 T333 F450 M706 | F325-A329 HydrophobicContact CE1-CB 4.3Å; F325-A329 WeakPolarHBondContact O-CB 3.49Å; F325-A329 PolarHBondContact O-N 3.34Å; K326-A329 PolarHBondContact O-N 3.23Å; A329-L332 PolarHBondContact O-N 3.38Å; A329-T333 WeakPolarHBondContact O-CB 3.3Å; A329-T333 PolarHBondContact O-N 2.96Å; A329-T333 PolarHBondContact O-OG1 3.17Å; A329-F450 HydrophobicContact CB-CZ 4.44Å; A329-M706 HydrophobicContact CB-CE 3.56Å |
| 330 | L | 90.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -51.6 | 173.1 | 176.4 | 62 | 0 | 0 | 0 | 110.5 | K326 L332 T333 V334 L453 L693 L696 Y697 L702 M706 | K326-L330 VanDerWaalsContact O-CB 3.26Å; K326-L330 WeakPolarHBondContact O-CB 3.46Å; K326-L330 PolarHBondContact O-N 2.98Å; L330-L332 PolarHBondContact O-N 3.14Å; L330-T333 PolarHBondContact O-N 2.95Å; L330-V334 HydrophobicContact CD1-CG2 3.98Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.35Å; L330-L453 HydrophobicContact CD1-CD1 3.43Å; L330-L453 VanDerWaalsContact CD1-CD1 3.43Å; L330-L453 HydrophobicContact CD1-CD2 3.82Å; L330-L453 HydrophobicContact CD1-CG 4.28Å; L330-L693 HydrophobicContact CD2-CD1 3.94Å; L330-L693 HydrophobicContact CG-CD1 3.87Å; L330-L696 HydrophobicContact CD1-CD1 4.49Å; L330-Y697 HydrophobicContact CD2-CE1 3.92Å; L330-Y697 HydrophobicContact CD2-CE2 4.17Å; L330-L702 HydrophobicContact CB-CD1 4.41Å; L330-L702 HydrophobicContact CD2-CD1 3.67Å; L330-M706 HydrophobicContact CB-CE 4.29Å; L330-M706 HydrophobicContact CB-CG 4.38Å; L330-M706 HydrophobicContact CB-SD 3.74Å; L330-M706 HydrophobicContact CD1-SD 3.94Å; L330-M706 HydrophobicContact CG-SD 4.4Å |
| 331 | L | 91.5 | Very high | 87.7 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.1 | -48.7 | -179.9 | 179.7 | 63.8 | 0 | 0 | 0 | 112 | T327 K328 T333 V334 Q335 L693 | T327-L331 WeakPolarHBondContact O-CB 3.23Å; T327-L331 PolarHBondContact O-N 3.37Å; K328-L331 PolarHBondContact O-N 2.9Å; L331-T333 PolarHBondContact O-N 3.02Å; L331-V334 PolarHBondContact O-N 3.45Å; L331-Q335 HydrophobicContact CD1-CG 4.31Å; L331-Q335 WeakPolarHBondContact O-CB 3.45Å; L331-Q335 VanDerWaalsContact O-CG 3.27Å; L331-Q335 WeakPolarHBondContact O-CG 3.48Å; L331-Q335 PolarHBondContact O-N 2.81Å; L331-L693 HydrophobicContact CD1-CD2 3.85Å |
| 332 | L | 91.8 | Very high | 89.1 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 179.9 | -70.5 | 173.5 | 0 | 0 | 0 | 112.3 | K328 A329 L330 S336 | K328-L332 HydrophobicContact CG-CD1 4.18Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 3.37Å; A329-L332 PolarHBondContact O-N 3.38Å; L330-L332 PolarHBondContact O-N 3.14Å; L332-S336 WeakPolarHBondContact O-CB 3.34Å; L332-S336 PolarHBondContact O-N 2.92Å |
| 333 | T | 93 | Very high | 90 | Very high | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 179.6 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | A329 L330 L331 S336 F337 M447 F450 L453 | A329-T333 WeakPolarHBondContact O-CB 3.3Å; A329-T333 PolarHBondContact O-N 2.96Å; A329-T333 PolarHBondContact O-OG1 3.17Å; L330-T333 PolarHBondContact O-N 2.95Å; L331-T333 PolarHBondContact O-N 3.02Å; T333-S336 PolarHBondContact O-N 3.09Å; T333-F337 PolarHBondContact O-N 3.48Å; T333-M447 HydrophobicContact CG2-CB 4.25Å; T333-M447 HydrophobicContact CG2-CE 3.48Å; T333-M447 VanDerWaalsContact CG2-CE 3.48Å; T333-M447 HydrophobicContact CG2-CG 3.86Å; T333-M447 HydrophobicContact CG2-SD 4.48Å; T333-F450 HydrophobicContact CG2-CD2 4.5Å; T333-L453 HydrophobicContact CG2-CD2 3.92Å |
| 334 | V | 94.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L330 L331 S336 F337 E338 L692 L693 L696 | L330-V334 HydrophobicContact CD1-CG2 3.98Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.35Å; L331-V334 PolarHBondContact O-N 3.45Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 3.23Å; V334-F337 PolarHBondContact O-N 3.3Å; V334-E338 PolarHBondContact O-N 3.03Å; V334-L692 HydrophobicContact CG1-CD2 3.96Å; V334-L692 HydrophobicContact CG1-CG 4.28Å; V334-L693 HydrophobicContact CG1-CB 4.36Å; V334-L693 HydrophobicContact CG2-CD1 4.19Å; V334-L696 HydrophobicContact CG2-CD1 3.54Å |
| 335 | Q | 94.6 | Very high | 91.3 | Very high | 96 Ų | 96 | 48.4 Ų | 48.4 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 174.8 | -76.1 | 177.6 | -18.1 | 0 | 0 | 112.5 | L331 K339 | L331-Q335 HydrophobicContact CD1-CG 4.31Å; L331-Q335 WeakPolarHBondContact O-CB 3.45Å; L331-Q335 VanDerWaalsContact O-CG 3.27Å; L331-Q335 WeakPolarHBondContact O-CG 3.48Å; L331-Q335 PolarHBondContact O-N 2.81Å; Q335-K339 WeakPolarHBondContact O-CB 3.25Å; Q335-K339 PolarHBondContact O-N 2.87Å |
| 336 | S | 93.8 | Very high | 92 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.4 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | L332 T333 V334 E338 K339 D340 | L332-S336 WeakPolarHBondContact O-CB 3.34Å; L332-S336 PolarHBondContact O-N 2.92Å; T333-S336 PolarHBondContact O-N 3.09Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 3.23Å; S336-E338 PolarHBondContact O-N 3.45Å; S336-K339 PolarHBondContact O-N 3.36Å; S336-D340 VanDerWaalsContact O-CB 3.3Å; S336-D340 WeakPolarHBondContact O-CB 3.42Å; S336-D340 PolarHBondContact O-N 3.44Å |
| 337 | F | 96.2 | Very high | 92 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 177.2 | 172.5 | -105.5 | 0 | 0 | 0 | 112.4 | T333 V334 K339 D340 F341 V440 C443 T444 M447 T457 V461 L688 L692 | T333-F337 PolarHBondContact O-N 3.48Å; V334-F337 PolarHBondContact O-N 3.3Å; F337-K339 PolarHBondContact O-N 3.31Å; F337-D340 PolarHBondContact O-N 3.18Å; F337-F341 PolarHBondContact O-N 3.45Å; F337-V440 HydrophobicContact CZ-CG1 4.3Å; F337-C443 HydrophobicContact CD2-CB 3.67Å; F337-C443 HydrophobicContact CE2-CB 3.45Å; F337-C443 VanDerWaalsContact CE2-CB 3.45Å; F337-T444 HydrophobicContact CD2-CG2 4.01Å; F337-T444 HydrophobicContact CE2-CG2 3.39Å; F337-T444 HydrophobicContact CZ-CG2 3.93Å; F337-M447 HydrophobicContact CB-SD 4.25Å; F337-M447 HydrophobicContact CD2-SD 4.28Å; F337-M447 HydrophobicContact CG-SD 4.34Å; F337-T457 HydrophobicContact CD1-CG2 3.88Å; F337-T457 HydrophobicContact CE1-CG2 3.7Å; F337-T457 HydrophobicContact CE2-CG2 4.45Å; F337-T457 HydrophobicContact CG-CG2 4.31Å; F337-T457 HydrophobicContact CZ-CG2 4.03Å; F337-V461 HydrophobicContact CE1-CG2 4.01Å; F337-V461 HydrophobicContact CZ-CG2 4.25Å; F337-L688 HydrophobicContact CD1-CD2 4.33Å; F337-L688 HydrophobicContact CE1-CD1 4.28Å; F337-L688 HydrophobicContact CE1-CD2 3.57Å; F337-L688 HydrophobicContact CZ-CD2 4.43Å; F337-L692 HydrophobicContact CD1-CD2 3.69Å; F337-L692 HydrophobicContact CE1-CD2 3.79Å |
| 338 | E | 95.5 | Very high | 91.1 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.5 | -52 | 174 | 179.8 | -165 | 163.5 | 0 | 0 | 111 | V334 S336 D340 F341 H342 L688 K689 | V334-E338 PolarHBondContact O-N 3.03Å; S336-E338 PolarHBondContact O-N 3.45Å; E338-D340 VanDerWaalsContact C-N 3.3Å; E338-D340 PolarHBondContact O-N 3.42Å; E338-F341 PolarHBondContact O-N 3.18Å; E338-H342 PolarHBondContact O-CD2 3.42Å; E338-H342 PolarHBondContact O-N 2.94Å; E338-L688 HydrophobicContact CG-CB 4.27Å; E338-K689 WeakPolarHBondContact OE1-CB 3.21Å; E338-K689 WeakPolarHBondContact OE1-CG 3.48Å |
| 339 | K | 93.7 | Very high | 90.1 | Very high | 121 Ų | 121 | 44.8 Ų | 44.8 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 180 | -179.2 | 178.1 | 177 | -177.9 | 0 | 111.9 | Q335 S336 F337 H342 H343 | Q335-K339 WeakPolarHBondContact O-CB 3.25Å; Q335-K339 PolarHBondContact O-N 2.87Å; S336-K339 PolarHBondContact O-N 3.36Å; F337-K339 PolarHBondContact O-N 3.31Å; K339-H342 PolarHBondContact O-N 2.84Å; K339-H343 VanDerWaalsContact CE-CE1 3.41Å; K339-H343 WeakPolarHBondContact CE-CE1 3.38Å; K339-H343 PolarHBondContact O-CD2 3.23Å; K339-H343 PolarHBondContact O-N 3.14Å |
| 340 | D | 93 | Very high | 89.2 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 179.8 | -74.8 | -27.1 | 0 | 0 | 0 | 112.2 | S336 F337 E338 H343 A344 C443 R446 | S336-D340 VanDerWaalsContact O-CB 3.3Å; S336-D340 WeakPolarHBondContact O-CB 3.42Å; S336-D340 PolarHBondContact O-N 3.44Å; F337-D340 PolarHBondContact O-N 3.18Å; E338-D340 VanDerWaalsContact C-N 3.3Å; E338-D340 PolarHBondContact O-N 3.42Å; D340-H343 PolarHBondContact O-N 3.08Å; D340-A344 WeakPolarHBondContact O-CB 3.44Å; D340-A344 PolarHBondContact O-N 3.04Å; D340-C443 HydrophobicContact CB-CB 4.47Å; D340-R446 VanDerWaalsContact CB-NH2 3.32Å; D340-R446 IonicContact OD1-CZ 2.7Å; D340-R446 IonicContact OD1-NH1 3.94Å; D340-R446 PolarHBondContact OD1-NH1 2.71Å; D340-R446 IonicContact OD1-NH2 2.66Å; D340-R446 PolarHBondContact OD1-NH2 2.89Å; D340-R446 IonicContact OD2-CZ 2.78Å; D340-R446 IonicContact OD2-NE 2.99Å; D340-R446 PolarHBondContact OD2-NE 2.96Å; D340-R446 IonicContact OD2-NH1 3.89Å; D340-R446 PolarHBondContact OD2-NH1 3.37Å; D340-R446 IonicContact OD2-NH2 3.13Å |
| 341 | F | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174 | -176.3 | -89.6 | 0 | 0 | 0 | 111.4 | F337 E338 H343 A344 I345 L436 I439 V440 I684 K685 L688 | F337-F341 PolarHBondContact O-N 3.45Å; E338-F341 PolarHBondContact O-N 3.18Å; F341-H343 VanDerWaalsContact C-N 3.34Å; F341-H343 PolarHBondContact O-N 3.39Å; F341-A344 PolarHBondContact O-N 2.95Å; F341-I345 HydrophobicContact CD1-CG1 4.23Å; F341-I345 HydrophobicContact CE1-CG1 3.81Å; F341-I345 HydrophobicContact CZ-CD1 4.29Å; F341-I345 HydrophobicContact CZ-CG1 4Å; F341-I345 WeakPolarHBondContact O-CG1 3.4Å; F341-I345 PolarHBondContact O-N 3.3Å; F341-I345 VanDerWaalsContact O-N 3.11Å; F341-L436 HydrophobicContact CZ-CD2 4.03Å; F341-I439 HydrophobicContact CD2-CG2 3.75Å; F341-I439 HydrophobicContact CE2-CB 4.48Å; F341-I439 HydrophobicContact CE2-CG2 3.85Å; F341-V440 HydrophobicContact CD2-CG2 4.17Å; F341-V440 HydrophobicContact CE2-CG2 3.82Å; F341-I684 HydrophobicContact CE1-CG2 3.81Å; F341-I684 HydrophobicContact CE2-CG2 4.24Å; F341-I684 HydrophobicContact CZ-CB 4.4Å; F341-I684 HydrophobicContact CZ-CG2 3.55Å; F341-K685 HydrophobicContact CD1-CG 4.34Å; F341-K685 HydrophobicContact CE1-CG 4.03Å; F341-L688 HydrophobicContact CB-CD1 3.67Å; F341-L688 HydrophobicContact CD1-CD1 3.4Å; F341-L688 HydrophobicContact CD2-CD1 4.08Å; F341-L688 HydrophobicContact CE1-CD1 4.03Å; F341-L688 HydrophobicContact CG-CD1 3.43Å; F341-L688 VanDerWaalsContact CG-CD1 3.43Å |
| 342 | H | 93.8 | Very high | 87.2 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 174.8 | -93.1 | -85 | 0 | 0 | 0 | 112.1 | E338 K339 A344 I345 D346 | E338-H342 PolarHBondContact O-CD2 3.42Å; E338-H342 PolarHBondContact O-N 2.94Å; K339-H342 PolarHBondContact O-N 2.84Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 3.33Å; H342-I345 PolarHBondContact O-N 2.87Å; H342-D346 IonicContact ND1-OD2 2.81Å; H342-D346 PolarHBondContact ND1-OD2 3.5Å; H342-D346 WeakPolarHBondContact O-CB 3.35Å; H342-D346 PolarHBondContact O-N 3.48Å |
| 343 | H | 92.1 | Very high | 86.4 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.4 | -74.8 | -169.1 | 0 | 0 | 0 | 112.7 | K339 D340 F341 I345 G347 G348 | K339-H343 VanDerWaalsContact CE-CE1 3.41Å; K339-H343 WeakPolarHBondContact CE-CE1 3.38Å; K339-H343 PolarHBondContact O-CD2 3.23Å; K339-H343 PolarHBondContact O-N 3.14Å; D340-H343 PolarHBondContact O-N 3.08Å; F341-H343 VanDerWaalsContact C-N 3.34Å; F341-H343 PolarHBondContact O-N 3.39Å; H343-I345 VanDerWaalsContact C-N 3.31Å; H343-I345 PolarHBondContact O-N 3.39Å; H343-G347 WeakPolarHBondContact O-CA 3.39Å; H343-G347 PolarHBondContact O-N 3.28Å; H343-G348 PolarHBondContact CE1-O 3.44Å |
| 344 | A | 92.6 | Very high | 85.8 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 21% | 0.207 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -32.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D340 F341 H342 G359 G360 I439 | D340-A344 WeakPolarHBondContact O-CB 3.44Å; D340-A344 PolarHBondContact O-N 3.04Å; F341-A344 PolarHBondContact O-N 2.95Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 3.33Å; A344-G359 PolarHBondContact O-N 3.42Å; A344-G360 PolarHBondContact O-N 2.91Å; A344-I439 HydrophobicContact CB-CG2 3.61Å |
| 345 | I | 93.7 | Very high | 85.3 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 8% | 0.082 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -87.5 | -48.4 | 178.6 | -62.5 | -70.2 | 0 | 0 | 0 | 112.3 | F341 H342 H343 G360 I363 L436 I439 V681 | F341-I345 HydrophobicContact CD1-CG1 4.23Å; F341-I345 HydrophobicContact CE1-CG1 3.81Å; F341-I345 HydrophobicContact CZ-CD1 4.29Å; F341-I345 HydrophobicContact CZ-CG1 4Å; F341-I345 WeakPolarHBondContact O-CG1 3.4Å; F341-I345 PolarHBondContact O-N 3.3Å; F341-I345 VanDerWaalsContact O-N 3.11Å; H342-I345 PolarHBondContact O-N 2.87Å; H343-I345 VanDerWaalsContact C-N 3.31Å; H343-I345 PolarHBondContact O-N 3.39Å; I345-G360 VanDerWaalsContact O-CA 3.28Å; I345-G360 WeakPolarHBondContact O-CA 3.31Å; I345-I363 HydrophobicContact CD1-CD1 3.71Å; I345-L436 HydrophobicContact CD1-CD2 3.86Å; I345-I439 HydrophobicContact CD1-CD1 3.49Å; I345-I439 VanDerWaalsContact CD1-CD1 3.49Å; I345-V681 HydrophobicContact CG2-CG1 3.73Å |
| 346 | D | 91.6 | Very high | 84.8 | Confident | 98 Ų | 98 | 76 Ų | 76 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -87.6 | -18 | -170.5 | -65.4 | -33.9 | 0 | 0 | 0 | 113 | H342 K685 | H342-D346 IonicContact ND1-OD2 2.81Å; H342-D346 PolarHBondContact ND1-OD2 3.5Å; H342-D346 WeakPolarHBondContact O-CB 3.35Å; H342-D346 PolarHBondContact O-N 3.48Å; D346-K685 IonicContact OD1-NZ 2.68Å; D346-K685 PolarHBondContact OD1-NZ 3.41Å; D346-K685 IonicContact OD2-NZ 2.68Å; D346-K685 PolarHBondContact OD2-NZ 2.77Å |
| 347 | G | 83.4 | Confident | 84.4 | Confident | 56 Ų | 56 | 78 Ų | 78 | 58% | 0.577 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 77.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H343 | H343-G347 WeakPolarHBondContact O-CA 3.39Å; H343-G347 PolarHBondContact O-N 3.28Å |
| 348 | G | 69.4 | Low | 84.1 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | trans | -140.5 | 23.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | H343 | H343-G348 PolarHBondContact CE1-O 3.44Š| ||
| 349 | G | 65.9 | Low | 83.8 | Confident | 41 Ų | 41 | 78.7 Ų | 78.7 | 42% | 0.423 | 46% | 0.456 | S | S | . | . | trans | -71.4 | 154.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E351 | G349-E351 PolarHBondContact O-N 3.06Š| ||
| 350 | S | 66.8 | Low | 83.8 | Confident | 136 Ų | 136 | 73.6 Ų | 73.6 | 95% | 0.951 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62.7 | -27.6 | 168.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 351 | E | 66.7 | Low | 83.8 | Confident | 179 Ų | 179 | 74.6 Ų | 74.6 | 84% | 0.836 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -113.7 | 129.9 | 172.8 | -63.9 | -177 | 169.6 | 0 | 0 | 108.9 | G349 | G349-E351 PolarHBondContact O-N 3.06Š|
| 352 | I | 74.3 | Confident | 83.8 | Confident | 148 Ų | 148 | 76.8 Ų | 76.8 | 76% | 0.759 | 46% | 0.459 | S | S | * | . | trans | -87.5 | 114.5 | 173.9 | -62.8 | 168.9 | 0 | 0 | 0 | 106.9 | T354 | I352-T354 PolarHBondContact O-N 3.49Š| ||
| 353 | D | 74.2 | Confident | 83.9 | Confident | 92 Ų | 92 | 74.7 Ų | 74.7 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | trans | -64.6 | 123.5 | 172 | -169.5 | -8.7 | 0 | 0 | 0 | 109.4 | K355 T356 | D353-K355 PolarHBondContact OD1-N 2.91Å; D353-T356 PolarHBondContact OD1-N 2.69Å; D353-T356 PolarHBondContact OD2-OG1 3.5Å | ||
| 354 | T | 81.8 | Confident | 84 | Confident | 131 Ų | 131 | 75.7 Ų | 75.7 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -99.4 | -5 | -179.2 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | I352 | I352-T354 PolarHBondContact O-N 3.49Š|
| 355 | K | 82 | Confident | 84.1 | Confident | 190 Ų | 190 | 77.3 Ų | 77.3 | 83% | 0.826 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -104.8 | -34 | -175.7 | -63.7 | -178.4 | -179.2 | 177 | 0 | 112.3 | D353 | D353-K355 PolarHBondContact OD1-N 2.91Š|
| 356 | T | 84.1 | Confident | 84.2 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -124.5 | 149.4 | -176.3 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | D353 | D353-T356 PolarHBondContact OD1-N 2.69Å; D353-T356 PolarHBondContact OD2-OG1 3.5Å |
| 357 | L | 85.3 | Confident | 84.5 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | trans | -80.4 | 136.9 | 174.8 | -68.2 | 177.2 | 0 | 0 | 0 | 109.6 | A361 L362 | L357-A361 HydrophobicContact CB-CB 4.23Å; L357-A361 HydrophobicContact CD2-CB 4.28Å; L357-L362 HydrophobicContact CB-CD2 4.02Å; L357-L362 HydrophobicContact CB-CG 4.18Å; L357-L362 HydrophobicContact CD1-CD2 3.9Å | ||
| 358 | S | 89.9 | Confident | 84.9 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | trans | -66.2 | 157.6 | 171.8 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | G360 A361 L362 | S358-G360 PolarHBondContact O-N 2.93Å; S358-A361 WeakPolarHBondContact O-CA 3.36Å; S358-A361 WeakPolarHBondContact O-CB 3.34Å; S358-A361 PolarHBondContact O-N 3.46Å; S358-A361 PolarHBondContact OG-N 3.44Å; S358-L362 PolarHBondContact O-N 2.76Å | ||
| 359 | G | 90.7 | Very high | 86 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 11% | 0.113 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A344 A361 L362 I363 I439 | A344-G359 PolarHBondContact O-N 3.42Å; G359-A361 PolarHBondContact O-N 2.89Å; G359-L362 PolarHBondContact O-N 3.42Å; G359-I363 WeakPolarHBondContact O-CG1 3.5Å; G359-I363 PolarHBondContact O-N 2.96Å; G359-I439 VanDerWaalsContact CA-CD1 3.47Å |
| 360 | G | 93.9 | Very high | 87.1 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | A344 I345 S358 L362 I363 N364 | A344-G360 PolarHBondContact O-N 2.91Å; I345-G360 VanDerWaalsContact O-CA 3.28Å; I345-G360 WeakPolarHBondContact O-CA 3.31Å; S358-G360 PolarHBondContact O-N 2.93Å; G360-L362 VanDerWaalsContact C-N 3.33Å; G360-L362 PolarHBondContact O-N 2.98Å; G360-I363 PolarHBondContact O-N 3.37Å; G360-N364 WeakPolarHBondContact O-CB 3.43Å; G360-N364 PolarHBondContact O-N 2.67Å |
| 361 | A | 92.8 | Very high | 88.4 | Confident | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L357 S358 G359 N364 R365 | L357-A361 HydrophobicContact CB-CB 4.23Å; L357-A361 HydrophobicContact CD2-CB 4.28Å; S358-A361 WeakPolarHBondContact O-CA 3.36Å; S358-A361 WeakPolarHBondContact O-CB 3.34Å; S358-A361 PolarHBondContact O-N 3.46Å; S358-A361 PolarHBondContact OG-N 3.44Å; G359-A361 PolarHBondContact O-N 2.89Å; A361-N364 PolarHBondContact O-N 2.9Å; A361-R365 PolarHBondContact O-N 2.91Å |
| 362 | L | 94.1 | Very high | 89.6 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.8 | -64.5 | 174.2 | 0 | 0 | 0 | 112.2 | L357 S358 G359 G360 N364 R365 I366 | L357-L362 HydrophobicContact CB-CD2 4.02Å; L357-L362 HydrophobicContact CB-CG 4.18Å; L357-L362 HydrophobicContact CD1-CD2 3.9Å; S358-L362 PolarHBondContact O-N 2.76Å; G359-L362 PolarHBondContact O-N 3.42Å; G360-L362 VanDerWaalsContact C-N 3.33Å; G360-L362 PolarHBondContact O-N 2.98Å; L362-N364 VanDerWaalsContact C-N 3.34Å; L362-N364 PolarHBondContact O-N 3.43Å; L362-R365 WeakPolarHBondContact O-CB 3.33Å; L362-R365 PolarHBondContact O-N 3.23Å; L362-I366 WeakPolarHBondContact O-CG1 3.47Å; L362-I366 PolarHBondContact O-N 3.11Å |
| 363 | I | 96.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 172.7 | -69.1 | 169.1 | 0 | 0 | 0 | 110.6 | I345 G359 G360 R365 I366 F367 V432 Q435 L436 I439 | I345-I363 HydrophobicContact CD1-CD1 3.71Å; G359-I363 WeakPolarHBondContact O-CG1 3.5Å; G359-I363 PolarHBondContact O-N 2.96Å; G360-I363 PolarHBondContact O-N 3.37Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 2.76Å; I363-I366 WeakPolarHBondContact O-CB 3.49Å; I363-I366 PolarHBondContact O-N 3.48Å; I363-I366 VanDerWaalsContact O-N 3.08Å; I363-F367 HydrophobicContact CG2-CD2 4.1Å; I363-F367 HydrophobicContact CG2-CE2 3.46Å; I363-F367 VanDerWaalsContact CG2-CE2 3.46Å; I363-F367 HydrophobicContact CG2-CZ 3.73Å; I363-F367 PolarHBondContact O-N 3.3Å; I363-F367 VanDerWaalsContact O-N 3.16Å; I363-V432 HydrophobicContact CG2-CG2 4.4Å; I363-Q435 HydrophobicContact CG1-CB 4.01Å; I363-L436 HydrophobicContact CD1-CD2 3.97Å; I363-L436 HydrophobicContact CD1-CG 4.25Å; I363-I439 HydrophobicContact CD1-CD1 4.23Å |
| 364 | N | 95.1 | Very high | 90.8 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 178.2 | -162.7 | 19.9 | 0 | 0 | 0 | 112.1 | G360 A361 L362 F367 H368 | G360-N364 WeakPolarHBondContact O-CB 3.43Å; G360-N364 PolarHBondContact O-N 2.67Å; A361-N364 PolarHBondContact O-N 2.9Å; L362-N364 VanDerWaalsContact C-N 3.34Å; L362-N364 PolarHBondContact O-N 3.43Å; N364-F367 PolarHBondContact O-N 2.9Å; N364-H368 PolarHBondContact O-N 2.97Å; N364-H368 PolarHBondContact OD1-CD2 3.23Å; N364-H368 PolarHBondContact OD1-NE2 3.34Å |
| 365 | R | 94.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 174 | -170.9 | 179.3 | 177.4 | 167.2 | -9 | 112.7 | A361 L362 I363 F367 E369 R370 E607 | A361-R365 PolarHBondContact O-N 2.91Å; L362-R365 WeakPolarHBondContact O-CB 3.33Å; L362-R365 PolarHBondContact O-N 3.23Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 2.76Å; R365-F367 VanDerWaalsContact C-N 3.29Å; R365-F367 PolarHBondContact O-N 3.03Å; R365-E369 HydrophobicContact CG-CB 4.21Å; R365-E369 HydrophobicContact CG-CG 4.06Å; R365-E369 WeakPolarHBondContact CG-OE2 3.35Å; R365-E369 IonicContact CZ-OE2 3.81Å; R365-E369 IonicContact NE-OE2 3.98Å; R365-E369 PolarHBondContact NE-OE2 3.44Å; R365-E369 IonicContact NH2-OE2 2.94Å; R365-E369 PolarHBondContact NH2-OE2 3.41Å; R365-E369 WeakPolarHBondContact O-CA 3.42Å; R365-E369 WeakPolarHBondContact O-CB 3.24Å; R365-E369 PolarHBondContact O-N 2.92Å; R365-R370 PolarHBondContact O-N 2.95Å; R365-E607 IonicContact CZ-OE1 3.15Å; R365-E607 IonicContact NH1-OE1 2.71Å; R365-E607 PolarHBondContact NH1-OE1 3.36Å; R365-E607 PolarHBondContact NH2-O 3.07Å |
| 366 | I | 95.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -59 | -44.9 | 174.7 | -67.4 | 162.9 | 0 | 0 | 0 | 110.1 | L362 I363 R370 L371 L431 V432 Q435 | L362-I366 WeakPolarHBondContact O-CG1 3.47Å; L362-I366 PolarHBondContact O-N 3.11Å; I363-I366 WeakPolarHBondContact O-CB 3.49Å; I363-I366 PolarHBondContact O-N 3.48Å; I363-I366 VanDerWaalsContact O-N 3.08Å; I366-R370 WeakPolarHBondContact O-CB 3.44Å; I366-R370 PolarHBondContact O-N 3.37Å; I366-L371 PolarHBondContact O-N 3.01Å; I366-L431 HydrophobicContact CD1-CB 3.8Å; I366-L431 HydrophobicContact CG1-CB 4.23Å; I366-L431 HydrophobicContact CG2-CB 3.99Å; I366-L431 HydrophobicContact CG2-CD1 4.28Å; I366-V432 HydrophobicContact CD1-CG2 4.37Å; I366-V432 HydrophobicContact CG2-CG2 4.07Å; I366-Q435 HydrophobicContact CD1-CG 3.51Å |
| 367 | F | 97 | Very high | 90.7 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -68.8 | -42.5 | -179.1 | -63.1 | -30.4 | 0 | 0 | 0 | 114.2 | I363 N364 R365 P372 V432 P673 L676 M677 | I363-F367 HydrophobicContact CG2-CD2 4.1Å; I363-F367 HydrophobicContact CG2-CE2 3.46Å; I363-F367 VanDerWaalsContact CG2-CE2 3.46Å; I363-F367 HydrophobicContact CG2-CZ 3.73Å; I363-F367 PolarHBondContact O-N 3.3Å; I363-F367 VanDerWaalsContact O-N 3.16Å; N364-F367 PolarHBondContact O-N 2.9Å; R365-F367 VanDerWaalsContact C-N 3.29Å; R365-F367 PolarHBondContact O-N 3.03Å; F367-P372 VanDerWaalsContact O-CD 3.26Å; F367-P372 WeakPolarHBondContact O-CD 3.25Å; F367-V432 HydrophobicContact CD1-CG2 4.41Å; F367-V432 HydrophobicContact CE1-CG2 3.56Å; F367-V432 HydrophobicContact CZ-CG2 3.92Å; F367-P673 HydrophobicContact CB-CB 4.08Å; F367-P673 HydrophobicContact CB-CG 3.97Å; F367-P673 HydrophobicContact CD1-CB 3.85Å; F367-P673 HydrophobicContact CD1-CG 3.97Å; F367-P673 HydrophobicContact CD2-CB 3.92Å; F367-P673 HydrophobicContact CE1-CB 4.21Å; F367-P673 HydrophobicContact CE2-CB 4.27Å; F367-P673 HydrophobicContact CG-CB 3.69Å; F367-P673 HydrophobicContact CG-CG 3.99Å; F367-P673 HydrophobicContact CZ-CB 4.41Å; F367-L676 HydrophobicContact CE1-CB 4.13Å; F367-L676 HydrophobicContact CE1-CD1 3.8Å; F367-L676 HydrophobicContact CZ-CB 4.04Å; F367-M677 HydrophobicContact CE2-CG 3.81Å; F367-M677 HydrophobicContact CE2-SD 3.81Å; F367-M677 HydrophobicContact CZ-CG 4.27Å; F367-M677 HydrophobicContact CZ-SD 4.34Å |
| 368 | H | 93.1 | Very high | 90.1 | Very high | 134 Ų | 134 | 39.8 Ų | 39.8 | 62% | 0.62 | 21% | 0.205 | S | C | * | . | I | π-helix | trans | -101.3 | -12.5 | -170.7 | -68.6 | -43 | 0 | 0 | 0 | 115.2 | N364 | N364-H368 PolarHBondContact O-N 2.97Å; N364-H368 PolarHBondContact OD1-CD2 3.23Å; N364-H368 PolarHBondContact OD1-NE2 3.34Å |
| 369 | E | 91.7 | Very high | 88.7 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -116.8 | -52.3 | 175.1 | -57.8 | -175.1 | -177.9 | 0 | 0 | 111.3 | R365 Y373 | R365-E369 HydrophobicContact CG-CB 4.21Å; R365-E369 HydrophobicContact CG-CG 4.06Å; R365-E369 WeakPolarHBondContact CG-OE2 3.35Å; R365-E369 IonicContact CZ-OE2 3.81Å; R365-E369 IonicContact NE-OE2 3.98Å; R365-E369 PolarHBondContact NE-OE2 3.44Å; R365-E369 IonicContact NH2-OE2 2.94Å; R365-E369 PolarHBondContact NH2-OE2 3.41Å; R365-E369 WeakPolarHBondContact O-CA 3.42Å; R365-E369 WeakPolarHBondContact O-CB 3.24Å; R365-E369 PolarHBondContact O-N 2.92Å; E369-Y373 VanDerWaalsContact O-CB 3.28Å; E369-Y373 WeakPolarHBondContact O-CB 3.36Å; E369-Y373 PolarHBondContact O-N 3Å |
| 370 | R | 89.4 | Confident | 87.4 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -75.5 | -46.4 | -169.8 | -172.6 | 52.8 | 176 | -151.4 | -0.1 | 113.2 | R365 I366 Y373 E374 L431 D610 | R365-R370 PolarHBondContact O-N 2.95Å; I366-R370 WeakPolarHBondContact O-CB 3.44Å; I366-R370 PolarHBondContact O-N 3.37Å; R370-Y373 WeakPolarHBondContact O-CB 3.43Å; R370-Y373 PolarHBondContact O-N 3.35Å; R370-E374 HydrophobicContact CG-CG 4.3Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 2.83Å; R370-E374 PolarHBondContact NE-OE1 2.91Å; R370-E374 IonicContact NH2-OE1 3Å; R370-E374 PolarHBondContact NH2-OE1 3.34Å; R370-E374 WeakPolarHBondContact O-CG 3.3Å; R370-E374 PolarHBondContact O-N 3.08Å; R370-L431 HydrophobicContact CG-CD1 3.64Å; R370-D610 IonicContact CZ-OD2 3.66Å; R370-D610 IonicContact NH1-OD2 3.9Å; R370-D610 PolarHBondContact NH1-OD2 3.15Å |
| 371 | L | 94.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 179.9 | 171.8 | 66.6 | 0 | 0 | 0 | 111.9 | I366 Y373 E374 M375 C428 L669 V672 P673 | I366-L371 PolarHBondContact O-N 3.01Å; L371-Y373 VanDerWaalsContact C-N 3.29Å; L371-Y373 PolarHBondContact O-N 2.92Å; L371-E374 PolarHBondContact O-N 3.19Å; L371-M375 HydrophobicContact CD1-CE 3.97Å; L371-M375 WeakPolarHBondContact O-CB 3.47Å; L371-M375 PolarHBondContact O-N 2.92Å; L371-C428 HydrophobicContact CB-CB 4.37Å; L371-C428 HydrophobicContact CD1-CB 3.9Å; L371-L669 HydrophobicContact CD1-CD2 4.41Å; L371-L669 HydrophobicContact CD2-CD2 3.99Å; L371-L669 HydrophobicContact CG-CD2 3.63Å; L371-V672 HydrophobicContact CD2-CB 4.09Å; L371-V672 HydrophobicContact CD2-CG1 4.01Å; L371-P673 HydrophobicContact CD2-CG 4.04Å |
| 372 | P | 91.6 | Very high | 85.2 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 173.9 | -26.9 | 34.8 | 0 | 0 | 0 | 113.3 | F367 M375 N376 L669 | F367-P372 VanDerWaalsContact O-CD 3.26Å; F367-P372 WeakPolarHBondContact O-CD 3.25Å; P372-M375 PolarHBondContact O-N 3.12Å; P372-N376 WeakPolarHBondContact O-CB 3.41Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.25Å; P372-N376 PolarHBondContact O-ND2 3.23Å; P372-L669 HydrophobicContact CB-CD1 4.31Å; P372-L669 HydrophobicContact CB-CD2 4.35Å; P372-L669 HydrophobicContact CG-CD1 4.41Å; P372-L669 HydrophobicContact CG-CD2 4.09Å |
| 373 | Y | 87.6 | Confident | 84.4 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 176.3 | 176.5 | -106.4 | 0 | 0 | 0 | 112.5 | E369 R370 L371 M375 K377 K613 L617 | E369-Y373 VanDerWaalsContact O-CB 3.28Å; E369-Y373 WeakPolarHBondContact O-CB 3.36Å; E369-Y373 PolarHBondContact O-N 3Å; R370-Y373 WeakPolarHBondContact O-CB 3.43Å; R370-Y373 PolarHBondContact O-N 3.35Å; L371-Y373 VanDerWaalsContact C-N 3.29Å; L371-Y373 PolarHBondContact O-N 2.92Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-K377 HydrophobicContact CE1-CD 4.42Å; Y373-K377 VanDerWaalsContact CZ-CE 3.41Å; Y373-K377 PolarHBondContact O-N 3.28Å; Y373-K377 WeakPolarHBondContact OH-CE 3.48Å; Y373-K613 HydrophobicContact CE2-CB 4.18Å; Y373-L617 HydrophobicContact CD2-CD1 3.24Å; Y373-L617 HydrophobicContact CE2-CD1 3.51Å; Y373-L617 HydrophobicContact CG-CD1 4.45Å |
| 374 | E | 87.2 | Confident | 83.7 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.5 | -27.9 | -179.6 | -61.5 | -78.7 | -151.6 | 0 | 0 | 112.3 | R370 L371 K377 P424 K427 | R370-E374 HydrophobicContact CG-CG 4.3Å; R370-E374 IonicContact CZ-OE1 3.87Å; R370-E374 IonicContact NE-OE1 2.83Å; R370-E374 PolarHBondContact NE-OE1 2.91Å; R370-E374 IonicContact NH2-OE1 3Å; R370-E374 PolarHBondContact NH2-OE1 3.34Å; R370-E374 WeakPolarHBondContact O-CG 3.3Å; R370-E374 PolarHBondContact O-N 3.08Å; L371-E374 PolarHBondContact O-N 3.19Å; E374-K377 WeakPolarHBondContact OE2-CD 3.27Å; E374-K377 IonicContact OE2-NZ 3.17Å; E374-K377 PolarHBondContact OE2-NZ 3.35Å; E374-P424 HydrophobicContact CB-CB 3.69Å; E374-K427 VanDerWaalsContact OE1-CE 3.28Å; E374-K427 WeakPolarHBondContact OE1-CE 3.46Å; E374-K427 IonicContact OE1-NZ 3.89Å; E374-K427 PolarHBondContact OE1-NZ 2.61Å |
| 375 | M | 88.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.2 | -43.4 | 174.7 | -160.9 | 64.7 | 71.1 | 0 | 0 | 111.7 | L371 P372 Y373 K377 I378 M421 P424 I665 Q668 L669 | L371-M375 HydrophobicContact CD1-CE 3.97Å; L371-M375 WeakPolarHBondContact O-CB 3.47Å; L371-M375 PolarHBondContact O-N 2.92Å; P372-M375 PolarHBondContact O-N 3.12Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; M375-K377 PolarHBondContact O-N 3.1Å; M375-I378 HydrophobicContact CG-CD1 4.42Å; M375-I378 VanDerWaalsContact O-CB 3.27Å; M375-I378 WeakPolarHBondContact O-CB 3.4Å; M375-I378 VanDerWaalsContact O-CG1 3.3Å; M375-I378 WeakPolarHBondContact O-CG1 3.19Å; M375-I378 PolarHBondContact O-N 3.47Å; M375-I378 HydrophobicContact SD-CD1 3.45Å; M375-I378 WeakPolarHBondContact SD-CD1 3.36Å; M375-M421 HydrophobicContact CE-CE 4.14Å; M375-M421 HydrophobicContact SD-CB 3.97Å; M375-M421 HydrophobicContact SD-CE 3.68Å; M375-M421 HydrophobicContact SD-CG 3.8Å; M375-M421 HydrophobicContact SD-SD 4.47Å; M375-P424 HydrophobicContact CE-CG 4.18Å; M375-P424 HydrophobicContact SD-CG 3.94Å; M375-I665 HydrophobicContact CG-CB 4.41Å; M375-I665 HydrophobicContact CG-CG1 4.03Å; M375-I665 HydrophobicContact CG-CG2 3.8Å; M375-Q668 HydrophobicContact CE-CB 4.28Å; M375-Q668 HydrophobicContact CE-CG 3.72Å; M375-L669 HydrophobicContact CB-CD2 4.07Å; M375-L669 HydrophobicContact CG-CD2 4.33Å |
| 376 | N | 80.2 | Confident | 82.9 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -23.6 | 177.2 | -71.3 | -12.5 | 0 | 0 | 0 | 112.6 | P372 I378 E379 | P372-N376 WeakPolarHBondContact O-CB 3.41Å; P372-N376 VanDerWaalsContact O-CG 3.26Å; P372-N376 PolarHBondContact O-N 3.25Å; P372-N376 PolarHBondContact O-ND2 3.23Å; N376-I378 PolarHBondContact O-N 3.22Å; N376-E379 WeakPolarHBondContact O-CB 3.41Å; N376-E379 PolarHBondContact O-N 3.21Å |
| 377 | K | 76.2 | Confident | 82.6 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.5 | 171.3 | -77.6 | -176.9 | -174.6 | 166.5 | 0 | 114.1 | Y373 E374 M375 E379 | Y373-K377 HydrophobicContact CE1-CD 4.42Å; Y373-K377 VanDerWaalsContact CZ-CE 3.41Å; Y373-K377 PolarHBondContact O-N 3.28Å; Y373-K377 WeakPolarHBondContact OH-CE 3.48Å; E374-K377 WeakPolarHBondContact OE2-CD 3.27Å; E374-K377 IonicContact OE2-NZ 3.17Å; E374-K377 PolarHBondContact OE2-NZ 3.35Å; M375-K377 PolarHBondContact O-N 3.1Å; K377-E379 PolarHBondContact O-N 3.18Å |
| 378 | I | 72.4 | Confident | 82.3 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.7 | 174.4 | -57.2 | 174.6 | 0 | 0 | 0 | 110.5 | M375 N376 T380 K420 M421 P424 | M375-I378 HydrophobicContact CG-CD1 4.42Å; M375-I378 VanDerWaalsContact O-CB 3.27Å; M375-I378 WeakPolarHBondContact O-CB 3.4Å; M375-I378 VanDerWaalsContact O-CG1 3.3Å; M375-I378 WeakPolarHBondContact O-CG1 3.19Å; M375-I378 PolarHBondContact O-N 3.47Å; M375-I378 HydrophobicContact SD-CD1 3.45Å; M375-I378 WeakPolarHBondContact SD-CD1 3.36Å; N376-I378 PolarHBondContact O-N 3.22Å; I378-T380 PolarHBondContact O-N 3.4Å; I378-T380 PolarHBondContact O-OG1 2.93Å; I378-T380 VanDerWaalsContact O-OG1 3.11Å; I378-K420 HydrophobicContact CG2-CB 3.74Å; I378-K420 HydrophobicContact CG2-CD 4Å; I378-M421 HydrophobicContact CD1-CB 4.02Å; I378-M421 HydrophobicContact CD1-CG 3.52Å; I378-P424 HydrophobicContact CD1-CG 3.64Å; I378-P424 HydrophobicContact CG1-CG 4.1Å |
| 379 | E | 61.6 | Low | 82.1 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -52.1 | 105.6 | 176 | -69.9 | -175.4 | 168.2 | 0 | 0 | 108.7 | N376 K377 | N376-E379 WeakPolarHBondContact O-CB 3.41Å; N376-E379 PolarHBondContact O-N 3.21Å; K377-E379 PolarHBondContact O-N 3.18Å |
| 380 | T | 62.1 | Low | 82 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | trans | -70.4 | 161.9 | -166.4 | -59 | 0 | 0 | 0 | 0 | 109.1 | I378 E382 E384 L385 Q417 K420 | I378-T380 PolarHBondContact O-N 3.4Å; I378-T380 PolarHBondContact O-OG1 2.93Å; I378-T380 VanDerWaalsContact O-OG1 3.11Å; T380-E382 PolarHBondContact O-N 3.07Å; T380-E384 HydrophobicContact CG2-CB 4.31Å; T380-E384 HydrophobicContact CG2-CG 4.48Å; T380-L385 HydrophobicContact CG2-CB 4.35Å; T380-Q417 PolarHBondContact OG1-NE2 3.43Å; T380-Q417 PolarHBondContact OG1-OE1 3.08Å; T380-K420 PolarHBondContact OG1-NZ 2.87Å; T380-K420 VanDerWaalsContact OG1-NZ 3.17Å | ||
| 381 | D | 66.3 | Low | 82.1 | Confident | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | trans | -49.9 | 114.9 | 168.1 | 179.8 | -22.9 | 0 | 0 | 0 | 109.5 | E383 E384 L385 K625 | D381-E383 PolarHBondContact O-N 3.41Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 WeakPolarHBondContact OD1-CA 3.41Å; D381-E383 WeakPolarHBondContact OD1-CB 3.35Å; D381-E383 PolarHBondContact OD1-N 3.14Å; D381-E384 HydrophobicContact CB-CB 3.57Å; D381-E384 CarbonylContact O-C 3.47Å; D381-E384 WeakPolarHBondContact O-CA 3.39Å; D381-E384 WeakPolarHBondContact O-CB 3.22Å; D381-E384 PolarHBondContact O-N 3.47Å; D381-E384 PolarHBondContact OD1-N 2.95Å; D381-L385 WeakPolarHBondContact O-CB 3.33Å; D381-L385 PolarHBondContact O-N 2.93Å; D381-K625 VanDerWaalsContact CA-CE 3.44Å; D381-K625 VanDerWaalsContact CA-NZ 3.27Å; D381-K625 HydrophobicContact CB-CD 3.59Å; D381-K625 VanDerWaalsContact CG-CD 3.43Å; D381-K625 IonicContact OD1-NZ 3.39Å; D381-K625 PolarHBondContact OD1-NZ 3.14Å; D381-K625 WeakPolarHBondContact OD2-CD 3.48Å; D381-K625 IonicContact OD2-NZ 2.74Å; D381-K625 PolarHBondContact OD2-NZ 2.96Å | ||
| 382 | E | 75.4 | Confident | 81.9 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -50.3 | -36.3 | 178.5 | -79.3 | -155.9 | 163.8 | 0 | 0 | 113.4 | T380 R386 | T380-E382 PolarHBondContact O-N 3.07Å; E382-R386 VanDerWaalsContact O-CB 3.26Å; E382-R386 WeakPolarHBondContact O-CB 3.41Å; E382-R386 WeakPolarHBondContact O-CG 3.4Å; E382-R386 PolarHBondContact O-N 3.29Å; E382-R386 IonicContact OE2-CZ 3.27Å; E382-R386 VanDerWaalsContact OE2-CZ 3.27Å; E382-R386 IonicContact OE2-NH1 2.82Å; E382-R386 PolarHBondContact OE2-NH1 3.42Å; E382-R386 IonicContact OE2-NH2 2.81Å; E382-R386 PolarHBondContact OE2-NH2 3Å |
| 383 | E | 76.5 | Confident | 81.7 | Confident | 147 Ų | 147 | 51.1 Ų | 51.1 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.5 | -42.1 | 177.7 | -162.5 | -178.6 | 164.4 | 0 | 0 | 110.8 | D381 R386 K387 | D381-E383 PolarHBondContact O-N 3.41Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 WeakPolarHBondContact OD1-CA 3.41Å; D381-E383 WeakPolarHBondContact OD1-CB 3.35Å; D381-E383 PolarHBondContact OD1-N 3.14Å; E383-R386 PolarHBondContact O-N 2.96Å; E383-K387 WeakPolarHBondContact O-CB 3.27Å; E383-K387 PolarHBondContact O-N 3.43Å |
| 384 | E | 82.9 | Confident | 81.6 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 173.5 | -168.2 | -179.1 | -166.8 | 0 | 0 | 111.6 | T380 D381 K387 E388 | T380-E384 HydrophobicContact CG2-CB 4.31Å; T380-E384 HydrophobicContact CG2-CG 4.48Å; D381-E384 HydrophobicContact CB-CB 3.57Å; D381-E384 CarbonylContact O-C 3.47Å; D381-E384 WeakPolarHBondContact O-CA 3.39Å; D381-E384 WeakPolarHBondContact O-CB 3.22Å; D381-E384 PolarHBondContact O-N 3.47Å; D381-E384 PolarHBondContact OD1-N 2.95Å; E384-K387 CarbonylContact O-C 3.51Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 2.71Å; E384-E388 HydrophobicContact CG-CG 4.49Å; E384-E388 WeakPolarHBondContact O-CB 3.38Å; E384-E388 VanDerWaalsContact O-CG 3.28Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.66Å |
| 385 | L | 85.8 | Confident | 81.6 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 176.1 | -179.2 | 63.8 | 0 | 0 | 0 | 110.1 | T380 D381 K387 E388 I389 I413 R654 | T380-L385 HydrophobicContact CG2-CB 4.35Å; D381-L385 WeakPolarHBondContact O-CB 3.33Å; D381-L385 PolarHBondContact O-N 2.93Å; L385-K387 VanDerWaalsContact C-N 3.28Å; L385-K387 PolarHBondContact O-N 3.48Å; L385-E388 PolarHBondContact O-N 3.36Å; L385-I389 HydrophobicContact CD1-CD1 4.21Å; L385-I389 HydrophobicContact CD1-CG1 4.42Å; L385-I389 HydrophobicContact CG-CD1 3.89Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 WeakPolarHBondContact O-CD1 3.41Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 2.78Å; L385-I413 HydrophobicContact CD1-CG2 3.58Å; L385-R654 HydrophobicContact CD2-CG 4.16Å |
| 386 | R | 86.3 | Confident | 81.5 | Confident | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.2 | -76.2 | 178.4 | -177 | 113.3 | 7.3 | 111 | E382 E383 I389 S390 V650 E651 | E382-R386 VanDerWaalsContact O-CB 3.26Å; E382-R386 WeakPolarHBondContact O-CB 3.41Å; E382-R386 WeakPolarHBondContact O-CG 3.4Å; E382-R386 PolarHBondContact O-N 3.29Å; E382-R386 IonicContact OE2-CZ 3.27Å; E382-R386 VanDerWaalsContact OE2-CZ 3.27Å; E382-R386 IonicContact OE2-NH1 2.82Å; E382-R386 PolarHBondContact OE2-NH1 3.42Å; E382-R386 IonicContact OE2-NH2 2.81Å; E382-R386 PolarHBondContact OE2-NH2 3Å; E383-R386 PolarHBondContact O-N 2.96Å; R386-I389 PolarHBondContact O-N 3.49Å; R386-S390 VanDerWaalsContact O-CB 3.32Å; R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 3.48Å; R386-V650 HydrophobicContact CB-CG1 3.85Å; R386-V650 HydrophobicContact CG-CG1 3.88Å; R386-E651 IonicContact NE-OE2 3.4Å; R386-E651 PolarHBondContact NE-OE2 3.25Å; R386-E651 IonicContact NH2-OE2 3.43Å |
| 387 | K | 89.3 | Confident | 81.7 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.3 | -169.1 | -175.5 | -170 | -170.4 | 0 | 112 | E383 E384 L385 S390 Y391 | E383-K387 WeakPolarHBondContact O-CB 3.27Å; E383-K387 PolarHBondContact O-N 3.43Å; E384-K387 CarbonylContact O-C 3.51Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 2.71Å; L385-K387 VanDerWaalsContact C-N 3.28Å; L385-K387 PolarHBondContact O-N 3.48Å; K387-S390 WeakPolarHBondContact O-CB 3.5Å; K387-S390 PolarHBondContact O-N 3.21Å; K387-Y391 HydrophobicContact CD-CE2 3.96Å; K387-Y391 HydrophobicContact CG-CD2 3.92Å; K387-Y391 HydrophobicContact CG-CE2 3.57Å; K387-Y391 WeakPolarHBondContact O-CD2 3.37Å; K387-Y391 PolarHBondContact O-N 2.71Å |
| 388 | E | 90.2 | Very high | 82 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.1 | -77.2 | -172.6 | -179.8 | 0 | 0 | 111.3 | E384 L385 S390 Y391 A392 I413 K416 | E384-E388 HydrophobicContact CG-CG 4.49Å; E384-E388 WeakPolarHBondContact O-CB 3.38Å; E384-E388 VanDerWaalsContact O-CG 3.28Å; E384-E388 WeakPolarHBondContact O-CG 3.45Å; E384-E388 PolarHBondContact O-N 2.66Å; L385-E388 PolarHBondContact O-N 3.36Å; E388-S390 VanDerWaalsContact C-N 3.33Å; E388-Y391 PolarHBondContact O-N 3.22Å; E388-A392 WeakPolarHBondContact O-CB 3.35Å; E388-A392 PolarHBondContact O-N 3.4Å; E388-I413 HydrophobicContact CB-CD1 3.87Å; E388-K416 IonicContact OE1-NZ 3.03Å; E388-K416 PolarHBondContact OE1-NZ 3.33Å; E388-K416 IonicContact OE2-NZ 3.48Å; E388-K416 PolarHBondContact OE2-NZ 3.13Å |
| 389 | I | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 174.1 | -66.6 | 163.1 | 0 | 0 | 0 | 109.8 | L385 R386 Y391 A392 I393 I413 V650 I653 R654 | L385-I389 HydrophobicContact CD1-CD1 4.21Å; L385-I389 HydrophobicContact CD1-CG1 4.42Å; L385-I389 HydrophobicContact CG-CD1 3.89Å; L385-I389 WeakPolarHBondContact O-CB 3.45Å; L385-I389 WeakPolarHBondContact O-CD1 3.41Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 2.78Å; R386-I389 PolarHBondContact O-N 3.49Å; I389-Y391 PolarHBondContact O-N 3.24Å; I389-A392 WeakPolarHBondContact O-CB 3.49Å; I389-A392 PolarHBondContact O-N 3.06Å; I389-I393 HydrophobicContact CG2-CD1 3.79Å; I389-I393 HydrophobicContact CG2-CG1 4.33Å; I389-I393 VanDerWaalsContact O-CG1 3.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.39Å; I389-I393 PolarHBondContact O-N 2.94Å; I389-I413 HydrophobicContact CG1-CB 4.5Å; I389-I413 HydrophobicContact CG1-CD1 4.23Å; I389-I413 HydrophobicContact CG1-CG1 3.89Å; I389-I413 HydrophobicContact CG1-CG2 4.12Å; I389-V650 HydrophobicContact CB-CG1 4.25Å; I389-V650 HydrophobicContact CG2-CB 4.16Å; I389-V650 HydrophobicContact CG2-CG1 4.12Å; I389-V650 HydrophobicContact CG2-CG2 4.02Å; I389-I653 HydrophobicContact CD1-CG2 4.13Å; I389-I653 HydrophobicContact CG1-CG2 4.06Å; I389-I653 HydrophobicContact CG2-CB 3.84Å; I389-I653 HydrophobicContact CG2-CD1 4.12Å; I389-I653 HydrophobicContact CG2-CG2 3.81Å; I389-R654 HydrophobicContact CD1-CB 3.92Å; I389-R654 HydrophobicContact CD1-CG 4.46Å |
| 390 | S | 89 | Confident | 83.2 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 177.3 | -171 | 0 | 0 | 0 | 0 | 111.8 | R386 K387 E388 I393 R394 | R386-S390 VanDerWaalsContact O-CB 3.32Å; R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 3.48Å; K387-S390 WeakPolarHBondContact O-CB 3.5Å; K387-S390 PolarHBondContact O-N 3.21Å; E388-S390 VanDerWaalsContact C-N 3.33Å; S390-I393 PolarHBondContact O-N 3.11Å; S390-R394 WeakPolarHBondContact O-CB 3.49Å; S390-R394 VanDerWaalsContact O-CG 3.27Å; S390-R394 WeakPolarHBondContact O-CG 3.48Å; S390-R394 PolarHBondContact O-N 2.94Å |
| 391 | Y | 90.8 | Very high | 83.5 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.9 | -77 | -59 | 0 | 0 | 0 | 112.3 | K387 E388 I389 R394 N395 L639 | K387-Y391 HydrophobicContact CD-CE2 3.96Å; K387-Y391 HydrophobicContact CG-CD2 3.92Å; K387-Y391 HydrophobicContact CG-CE2 3.57Å; K387-Y391 WeakPolarHBondContact O-CD2 3.37Å; K387-Y391 PolarHBondContact O-N 2.71Å; E388-Y391 PolarHBondContact O-N 3.22Å; I389-Y391 PolarHBondContact O-N 3.24Å; Y391-R394 PolarHBondContact O-N 2.9Å; Y391-N395 VanDerWaalsContact O-CB 3.24Å; Y391-N395 WeakPolarHBondContact O-CB 3.34Å; Y391-N395 PolarHBondContact O-N 2.94Å; Y391-N395 PolarHBondContact O-ND2 2.96Å; Y391-L639 HydrophobicContact CE1-CD1 4.48Å; Y391-L639 HydrophobicContact CE1-CD2 4.39Å; Y391-L639 WeakPolarHBondContact OH-CD1 3.34Å |
| 392 | A | 90.5 | Very high | 83.4 | Confident | 13 Ų | 13 | 75.9 Ų | 75.9 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E388 I389 R394 N395 I396 A409 I413 | E388-A392 WeakPolarHBondContact O-CB 3.35Å; E388-A392 PolarHBondContact O-N 3.4Å; I389-A392 WeakPolarHBondContact O-CB 3.49Å; I389-A392 PolarHBondContact O-N 3.06Å; A392-R394 PolarHBondContact O-N 3.36Å; A392-N395 PolarHBondContact O-N 3.23Å; A392-I396 WeakPolarHBondContact O-CB 3.45Å; A392-I396 VanDerWaalsContact O-CD1 3.27Å; A392-I396 WeakPolarHBondContact O-CD1 3.25Å; A392-I396 WeakPolarHBondContact O-CG1 3.24Å; A392-I396 PolarHBondContact O-N 3Å; A392-A409 HydrophobicContact CB-CB 4.3Å; A392-I413 HydrophobicContact CB-CD1 4.19Å; A392-I413 HydrophobicContact CB-CG1 4.31Å |
| 393 | I | 86.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 176.5 | -65.6 | 164.4 | 0 | 0 | 0 | 110.5 | I389 S390 N395 I396 H397 A409 L646 Q649 V650 I653 | I389-I393 HydrophobicContact CG2-CD1 3.79Å; I389-I393 HydrophobicContact CG2-CG1 4.33Å; I389-I393 VanDerWaalsContact O-CG1 3.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.39Å; I389-I393 PolarHBondContact O-N 2.94Å; S390-I393 PolarHBondContact O-N 3.11Å; I393-N395 PolarHBondContact O-N 2.99Å; I393-I396 PolarHBondContact O-N 3.28Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.37Å; I393-H397 PolarHBondContact O-N 2.84Å; I393-A409 HydrophobicContact CG1-CB 4Å; I393-L646 HydrophobicContact CB-CD1 3.91Å; I393-L646 HydrophobicContact CD1-CD1 3.93Å; I393-L646 HydrophobicContact CG2-CD1 3.51Å; I393-Q649 HydrophobicContact CD1-CB 3.89Å; I393-V650 HydrophobicContact CD1-CG2 3.78Å; I393-I653 HydrophobicContact CD1-CD1 3.98Å; I393-I653 HydrophobicContact CG1-CD1 3.97Å |
| 394 | R | 87 | Confident | 82.2 | Confident | 89 Ų | 89 | 79.3 Ų | 79.3 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | -179.8 | -71.5 | 177.2 | -174.5 | -146.7 | 4.7 | 112.3 | S390 Y391 A392 H397 G398 L646 | S390-R394 WeakPolarHBondContact O-CB 3.49Å; S390-R394 VanDerWaalsContact O-CG 3.27Å; S390-R394 WeakPolarHBondContact O-CG 3.48Å; S390-R394 PolarHBondContact O-N 2.94Å; Y391-R394 PolarHBondContact O-N 2.9Å; A392-R394 PolarHBondContact O-N 3.36Å; R394-H397 PolarHBondContact O-N 3.25Å; R394-G398 PolarHBondContact O-N 3.15Å; R394-L646 HydrophobicContact CG-CD2 4.32Å |
| 395 | N | 86.9 | Confident | 81.2 | Confident | 126 Ų | 126 | 75.5 Ų | 75.5 | 67% | 0.674 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.4 | -35.8 | 179.5 | -73.2 | -21 | 0 | 0 | 0 | 112.5 | Y391 A392 I393 G398 | Y391-N395 VanDerWaalsContact O-CB 3.24Å; Y391-N395 WeakPolarHBondContact O-CB 3.34Å; Y391-N395 PolarHBondContact O-N 2.94Å; Y391-N395 PolarHBondContact O-ND2 2.96Å; A392-N395 PolarHBondContact O-N 3.23Å; I393-N395 PolarHBondContact O-N 2.99Å; N395-G398 PolarHBondContact O-N 3.35Å |
| 396 | I | 86.6 | Confident | 80.4 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 176.1 | -65.1 | 159.3 | 0 | 0 | 0 | 110.9 | A392 I393 T405 L408 A409 | A392-I396 WeakPolarHBondContact O-CB 3.45Å; A392-I396 VanDerWaalsContact O-CD1 3.27Å; A392-I396 WeakPolarHBondContact O-CD1 3.25Å; A392-I396 WeakPolarHBondContact O-CG1 3.24Å; A392-I396 PolarHBondContact O-N 3Å; I393-I396 PolarHBondContact O-N 3.28Å; I396-T405 HydrophobicContact CB-CG2 3.79Å; I396-T405 HydrophobicContact CD1-CG2 4.01Å; I396-T405 HydrophobicContact CG2-CG2 3.26Å; I396-L408 HydrophobicContact CD1-CB 3.95Å; I396-L408 HydrophobicContact CD1-CD2 4.12Å; I396-L408 HydrophobicContact CD1-CG 3.84Å; I396-L408 HydrophobicContact CG1-CD2 3.94Å; I396-L408 HydrophobicContact CG1-CG 4.2Å; I396-L408 HydrophobicContact CG2-CD2 3.97Å; I396-A409 HydrophobicContact CD1-CB 3.68Å |
| 397 | H | 83.9 | Confident | 80.2 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 15% | 0.148 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 172.7 | -69.7 | 160.8 | 0 | 0 | 0 | 111.2 | I393 R394 I399 R400 G402 T405 | I393-H397 WeakPolarHBondContact CG2-CE1 3.37Å; I393-H397 PolarHBondContact O-N 2.84Å; R394-H397 PolarHBondContact O-N 3.25Å; H397-I399 PolarHBondContact O-N 2.86Å; H397-I399 VanDerWaalsContact O-N 3.13Å; H397-R400 WeakPolarHBondContact O-CA 3.27Å; H397-R400 VanDerWaalsContact O-CB 3.26Å; H397-R400 WeakPolarHBondContact O-CB 3.48Å; H397-R400 PolarHBondContact O-N 3.33Å; H397-G402 WeakPolarHBondContact CD2-CA 3.29Å; H397-G402 VanDerWaalsContact NE2-CA 3.31Å; H397-G402 WeakPolarHBondContact NE2-CA 3.38Å; H397-T405 PolarHBondContact CD2-OG1 3.39Å; H397-T405 VanDerWaalsContact NE2-CB 3.3Å; H397-T405 WeakPolarHBondContact NE2-CB 3.38Å; H397-T405 PolarHBondContact NE2-OG1 3.49Å |
| 398 | G | 82.7 | Confident | 80.1 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -117.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R394 N395 | R394-G398 PolarHBondContact O-N 3.15Å; N395-G398 PolarHBondContact O-N 3.35Å |
| 399 | I | 81.9 | Confident | 80.1 | Confident | 181 Ų | 181 | 75.2 Ų | 75.2 | 93% | 0.928 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4 | 175.7 | 63.1 | 168.4 | 0 | 0 | 0 | 114 | H397 | H397-I399 PolarHBondContact O-N 2.86Å; H397-I399 VanDerWaalsContact O-N 3.13Å |
| 400 | R | 76.6 | Confident | 80.1 | Confident | 200 Ų | 200 | 75.5 Ų | 75.5 | 76% | 0.755 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -86.1 | 141.8 | -176.4 | -56.3 | 176.2 | 178.9 | 175.3 | 0.4 | 109.9 | H397 G402 | H397-R400 WeakPolarHBondContact O-CA 3.27Å; H397-R400 VanDerWaalsContact O-CB 3.26Å; H397-R400 WeakPolarHBondContact O-CB 3.48Å; H397-R400 PolarHBondContact O-N 3.33Å; R400-G402 PolarHBondContact O-N 2.94Å; R400-G402 VanDerWaalsContact O-N 3.17Å |
| 401 | T | 68.3 | Low | 80.2 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 77% | 0.767 | 40% | 0.4 | S | S | * | . | trans | -68.9 | 109.6 | 164.5 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | L403 | T401-L403 PolarHBondContact O-N 3.48Š| ||
| 402 | G | 65.1 | Low | 80.3 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | trans | -63.7 | 88.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | H397 R400 | H397-G402 WeakPolarHBondContact CD2-CA 3.29Å; H397-G402 VanDerWaalsContact NE2-CA 3.31Å; H397-G402 WeakPolarHBondContact NE2-CA 3.38Å; R400-G402 PolarHBondContact O-N 2.94Å; R400-G402 VanDerWaalsContact O-N 3.17Å | ||
| 403 | L | 65 | Low | 80.4 | Confident | 134 Ų | 134 | 75.9 Ų | 75.9 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.1 | -34.3 | 174.4 | -84.2 | 151.5 | 0 | 0 | 0 | 112.3 | T401 | T401-L403 PolarHBondContact O-N 3.48Š|
| 404 | F | 61.5 | Low | 80.7 | Confident | 180 Ų | 180 | 75.9 Ų | 75.9 | 79% | 0.789 | 40% | 0.399 | S | S | * | . | trans | -149.4 | 110.2 | -179.2 | -59.3 | -80.2 | 0 | 0 | 0 | 109.5 | ||||
| 405 | T | 62.3 | Low | 81.1 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | trans | -149.7 | 73 | 164 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | I396 H397 | I396-T405 HydrophobicContact CB-CG2 3.79Å; I396-T405 HydrophobicContact CD1-CG2 4.01Å; I396-T405 HydrophobicContact CG2-CG2 3.26Å; H397-T405 PolarHBondContact CD2-OG1 3.39Å; H397-T405 VanDerWaalsContact NE2-CB 3.3Å; H397-T405 WeakPolarHBondContact NE2-CB 3.38Å; H397-T405 PolarHBondContact NE2-OG1 3.49Å | ||
| 406 | P | 68.3 | Low | 81.4 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 31% | 0.312 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -92.4 | -46.3 | 164.4 | -10.7 | 30.5 | 0 | 0 | 0 | 113.2 | F410 F497 | P406-F410 WeakPolarHBondContact O-CB 3.42Å; P406-F410 PolarHBondContact O-N 3.45Å; P406-F497 HydrophobicContact CB-CD1 4.37Å; P406-F497 HydrophobicContact CB-CE1 3.51Å; P406-F497 HydrophobicContact CB-CZ 4.18Å; P406-F497 HydrophobicContact CG-CE1 4.41Å |
| 407 | D | 82 | Confident | 81.6 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.8 | -51.1 | -160.5 | -56.6 | -10.3 | 0 | 0 | 0 | 113.9 | A409 F410 E411 F497 | D407-A409 VanDerWaalsContact C-N 3.32Å; D407-A409 PolarHBondContact O-N 2.83Å; D407-F410 PolarHBondContact O-N 2.85Å; D407-E411 VanDerWaalsContact O-CB 3.28Å; D407-E411 WeakPolarHBondContact O-CB 3.37Å; D407-E411 PolarHBondContact O-N 3.42Å; D407-F497 WeakPolarHBondContact OD1-CZ 3.39Å |
| 408 | L | 87.3 | Confident | 82.1 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 47% | 0.466 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.8 | -33.1 | -176.2 | -177.1 | 61 | 0 | 0 | 0 | 112.1 | I396 T412 | I396-L408 HydrophobicContact CD1-CB 3.95Å; I396-L408 HydrophobicContact CD1-CD2 4.12Å; I396-L408 HydrophobicContact CD1-CG 3.84Å; I396-L408 HydrophobicContact CG1-CD2 3.94Å; I396-L408 HydrophobicContact CG1-CG 4.2Å; I396-L408 HydrophobicContact CG2-CD2 3.97Å; L408-T412 VanDerWaalsContact O-CB 3.26Å; L408-T412 WeakPolarHBondContact O-CB 3.24Å; L408-T412 PolarHBondContact O-N 3.24Å; L408-T412 PolarHBondContact O-OG1 3.16Å |
| 409 | A | 89.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.9 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A392 I393 I396 D407 E411 T412 I413 I653 | A392-A409 HydrophobicContact CB-CB 4.3Å; I393-A409 HydrophobicContact CG1-CB 4Å; I396-A409 HydrophobicContact CD1-CB 3.68Å; D407-A409 VanDerWaalsContact C-N 3.32Å; D407-A409 PolarHBondContact O-N 2.83Å; A409-E411 VanDerWaalsContact C-N 3.34Å; A409-E411 PolarHBondContact O-N 3.26Å; A409-T412 PolarHBondContact O-N 3.08Å; A409-I413 WeakPolarHBondContact O-CB 3.24Å; A409-I413 WeakPolarHBondContact O-CG1 3.3Å; A409-I413 PolarHBondContact O-N 3.42Å; A409-I653 HydrophobicContact CB-CD1 3.43Å; A409-I653 VanDerWaalsContact CB-CD1 3.43Å |
| 410 | F | 90.9 | Very high | 83.3 | Confident | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.1 | -48.4 | 171.8 | 166.3 | -105.9 | 0 | 0 | 0 | 111.8 | P406 D407 T414 T489 F494 I653 L656 V657 Y660 | P406-F410 WeakPolarHBondContact O-CB 3.42Å; P406-F410 PolarHBondContact O-N 3.45Å; D407-F410 PolarHBondContact O-N 2.85Å; F410-T414 WeakPolarHBondContact CD2-OG1 3.3Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.3Å; F410-T414 WeakPolarHBondContact O-CB 3.19Å; F410-T414 PolarHBondContact O-N 3.26Å; F410-T414 PolarHBondContact O-OG1 3.12Å; F410-T489 HydrophobicContact CE1-CG2 4.06Å; F410-F494 HydrophobicContact CE1-CZ 4.41Å; F410-F494 HydrophobicContact CE2-CE2 4.39Å; F410-F494 HydrophobicContact CE2-CZ 4.31Å; F410-F494 HydrophobicContact CZ-CE2 4.06Å; F410-F494 AromaticContact CZ-CZ 3.83Å; F410-F494 HydrophobicContact CZ-CZ 3.83Å; F410-I653 HydrophobicContact CB-CG2 4.19Å; F410-L656 HydrophobicContact CD2-CB 3.51Å; F410-L656 VanDerWaalsContact CE2-C 3.45Å; F410-L656 HydrophobicContact CE2-CB 3.6Å; F410-L656 HydrophobicContact CG-CB 4.39Å; F410-V657 HydrophobicContact CD2-CG2 3.9Å; F410-V657 HydrophobicContact CE2-CG2 4.31Å; F410-Y660 HydrophobicContact CZ-CD2 4.46Å; F410-Y660 HydrophobicContact CZ-CG 4.2Å |
| 411 | E | 91.3 | Very high | 84 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 178.2 | 174.6 | 162 | -159.6 | 0 | 0 | 112.4 | D407 A409 I413 T414 R415 M487 | D407-E411 VanDerWaalsContact O-CB 3.28Å; D407-E411 WeakPolarHBondContact O-CB 3.37Å; D407-E411 PolarHBondContact O-N 3.42Å; A409-E411 VanDerWaalsContact C-N 3.34Å; A409-E411 PolarHBondContact O-N 3.26Å; E411-I413 VanDerWaalsContact C-N 3.35Å; E411-I413 PolarHBondContact O-N 3.21Å; E411-T414 PolarHBondContact O-N 3.48Å; E411-R415 HydrophobicContact CG-CG 4.32Å; E411-R415 VanDerWaalsContact O-CB 3.31Å; E411-R415 WeakPolarHBondContact O-CB 3.42Å; E411-R415 VanDerWaalsContact O-CG 3.22Å; E411-R415 WeakPolarHBondContact O-CG 3.3Å; E411-R415 PolarHBondContact O-N 3.37Å; E411-R415 IonicContact OE1-CZ 2.61Å; E411-R415 IonicContact OE1-NE 2.66Å; E411-R415 PolarHBondContact OE1-NE 3.07Å; E411-R415 IonicContact OE1-NH2 3.63Å; E411-R415 PolarHBondContact OE1-NH2 3.04Å; E411-M487 HydrophobicContact CB-CE 3.57Å; E411-M487 HydrophobicContact CG-CE 3.36Å; E411-M487 HydrophobicContact CG-SD 4.34Å |
| 412 | T | 91.9 | Very high | 85.3 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | -177.8 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | L408 A409 K416 | L408-T412 VanDerWaalsContact O-CB 3.26Å; L408-T412 WeakPolarHBondContact O-CB 3.24Å; L408-T412 PolarHBondContact O-N 3.24Å; L408-T412 PolarHBondContact O-OG1 3.16Å; A409-T412 PolarHBondContact O-N 3.08Å; T412-K416 WeakPolarHBondContact O-CB 3.36Å; T412-K416 PolarHBondContact O-N 3.04Å |
| 413 | I | 92.6 | Very high | 86.7 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.2 | -45.7 | -178.9 | -62.2 | -67.4 | 0 | 0 | 0 | 110.5 | L385 E388 I389 A392 A409 E411 K416 Q417 V657 | L385-I413 HydrophobicContact CD1-CG2 3.58Å; E388-I413 HydrophobicContact CB-CD1 3.87Å; I389-I413 HydrophobicContact CG1-CB 4.5Å; I389-I413 HydrophobicContact CG1-CD1 4.23Å; I389-I413 HydrophobicContact CG1-CG1 3.89Å; I389-I413 HydrophobicContact CG1-CG2 4.12Å; A392-I413 HydrophobicContact CB-CD1 4.19Å; A392-I413 HydrophobicContact CB-CG1 4.31Å; A409-I413 WeakPolarHBondContact O-CB 3.24Å; A409-I413 WeakPolarHBondContact O-CG1 3.3Å; A409-I413 PolarHBondContact O-N 3.42Å; E411-I413 VanDerWaalsContact C-N 3.35Å; E411-I413 PolarHBondContact O-N 3.21Å; I413-K416 WeakPolarHBondContact O-CB 3.35Å; I413-K416 PolarHBondContact O-N 3.28Å; I413-Q417 WeakPolarHBondContact O-CG 3.26Å; I413-Q417 PolarHBondContact O-N 3.5Å; I413-V657 HydrophobicContact CB-CG2 4.17Å; I413-V657 HydrophobicContact CG2-CG1 4.18Å; I413-V657 HydrophobicContact CG2-CG2 3.76Å |
| 414 | T | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -47.6 | -180 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | F410 E411 K416 Q417 I418 M487 Y660 M661 | F410-T414 WeakPolarHBondContact CD2-OG1 3.3Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.3Å; F410-T414 WeakPolarHBondContact O-CB 3.19Å; F410-T414 PolarHBondContact O-N 3.26Å; F410-T414 PolarHBondContact O-OG1 3.12Å; E411-T414 PolarHBondContact O-N 3.48Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.42Å; T414-Q417 PolarHBondContact O-N 2.68Å; T414-I418 HydrophobicContact CG2-CD1 3.89Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.15Å; T414-I418 PolarHBondContact O-N 2.98Å; T414-M487 HydrophobicContact CG2-SD 4.11Å; T414-Y660 HydrophobicContact CG2-CD1 3.39Å; T414-Y660 HydrophobicContact CG2-CE1 4.05Å; T414-Y660 HydrophobicContact CG2-CG 4.15Å; T414-M661 HydrophobicContact CG2-SD 4.45Å |
| 415 | R | 94.6 | Very high | 89.8 | Confident | 82 Ų | 82 | 43 Ų | 43 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.9 | -73.6 | 174.9 | -179 | -70.7 | -6.9 | 112 | E411 Q417 I418 D419 L484 M487 | E411-R415 HydrophobicContact CG-CG 4.32Å; E411-R415 VanDerWaalsContact O-CB 3.31Å; E411-R415 WeakPolarHBondContact O-CB 3.42Å; E411-R415 VanDerWaalsContact O-CG 3.22Å; E411-R415 WeakPolarHBondContact O-CG 3.3Å; E411-R415 PolarHBondContact O-N 3.37Å; E411-R415 IonicContact OE1-CZ 2.61Å; E411-R415 IonicContact OE1-NE 2.66Å; E411-R415 PolarHBondContact OE1-NE 3.07Å; E411-R415 IonicContact OE1-NH2 3.63Å; E411-R415 PolarHBondContact OE1-NH2 3.04Å; R415-Q417 VanDerWaalsContact C-N 3.31Å; R415-Q417 PolarHBondContact O-N 3.49Å; R415-I418 PolarHBondContact O-N 3.03Å; R415-D419 PolarHBondContact O-N 3.43Å; R415-L484 HydrophobicContact CB-CD2 4.12Å; R415-L484 HydrophobicContact CG-CD2 4.36Å; R415-L484 PolarHBondContact NH1-O 3.29Å; R415-L484 WeakPolarHBondContact O-CD2 3.26Å; R415-M487 HydrophobicContact CG-SD 4.29Å |
| 416 | K | 93.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.4 | -173.9 | -177.8 | 177.2 | -167 | 0 | 112 | E388 T412 I413 T414 K420 | E388-K416 IonicContact OE1-NZ 3.03Å; E388-K416 PolarHBondContact OE1-NZ 3.33Å; E388-K416 IonicContact OE2-NZ 3.48Å; E388-K416 PolarHBondContact OE2-NZ 3.13Å; T412-K416 WeakPolarHBondContact O-CB 3.36Å; T412-K416 PolarHBondContact O-N 3.04Å; I413-K416 WeakPolarHBondContact O-CB 3.35Å; I413-K416 PolarHBondContact O-N 3.28Å; T414-K416 VanDerWaalsContact C-N 3.29Å; T414-K416 PolarHBondContact O-N 3.42Å; K416-K420 WeakPolarHBondContact O-CG 3.47Å; K416-K420 PolarHBondContact O-N 3.46Å |
| 417 | Q | 92.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 177.6 | -64.4 | -61.3 | -22.2 | 0 | 0 | 112.5 | T380 I413 T414 R415 K420 V657 M661 | T380-Q417 PolarHBondContact OG1-NE2 3.43Å; T380-Q417 PolarHBondContact OG1-OE1 3.08Å; I413-Q417 WeakPolarHBondContact O-CG 3.26Å; I413-Q417 PolarHBondContact O-N 3.5Å; T414-Q417 PolarHBondContact O-N 2.68Å; R415-Q417 VanDerWaalsContact C-N 3.31Å; R415-Q417 PolarHBondContact O-N 3.49Å; Q417-K420 PolarHBondContact O-N 2.99Å; Q417-V657 HydrophobicContact CG-CG1 4.43Å; Q417-M661 HydrophobicContact CB-CE 3.78Å; Q417-M661 HydrophobicContact CB-CG 4.17Å; Q417-M661 HydrophobicContact CB-SD 3.56Å; Q417-M661 VanDerWaalsContact CB-SD 3.56Å |
| 418 | I | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 175.1 | -65.2 | 171.1 | 0 | 0 | 0 | 110.8 | T414 R415 K420 M421 V480 Q483 L484 Y660 M661 V664 | T414-I418 HydrophobicContact CG2-CD1 3.89Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.15Å; T414-I418 PolarHBondContact O-N 2.98Å; R415-I418 PolarHBondContact O-N 3.03Å; I418-K420 VanDerWaalsContact C-N 3.28Å; I418-K420 PolarHBondContact O-N 2.98Å; I418-M421 WeakPolarHBondContact O-CB 3.36Å; I418-M421 WeakPolarHBondContact O-CG 3.34Å; I418-M421 PolarHBondContact O-N 3.19Å; I418-V480 HydrophobicContact CG2-CG1 3.92Å; I418-V480 WeakPolarHBondContact O-CG1 3.46Å; I418-Q483 HydrophobicContact CG2-CB 3.85Å; I418-L484 HydrophobicContact CB-CD2 3.77Å; I418-L484 HydrophobicContact CB-CG 4.42Å; I418-L484 HydrophobicContact CG2-CD2 3.66Å; I418-L484 HydrophobicContact CG2-CG 3.76Å; I418-Y660 HydrophobicContact CD1-CD1 4.36Å; I418-Y660 HydrophobicContact CD1-CE1 3.92Å; I418-M661 HydrophobicContact CG1-CE 4.48Å; I418-M661 HydrophobicContact CG1-SD 3.82Å; I418-V664 HydrophobicContact CD1-CG2 4.21Å; I418-V664 HydrophobicContact CG1-CG1 4.26Å; I418-V664 HydrophobicContact CG1-CG2 4.38Å; I418-V664 HydrophobicContact CG2-CG1 4.43Å |
| 419 | D | 95 | Very high | 94 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.4 | -34.2 | -178.2 | -169.8 | 64 | 0 | 0 | 0 | 112.7 | R415 M421 K422 L484 | R415-D419 PolarHBondContact O-N 3.43Å; D419-M421 PolarHBondContact O-N 3.1Å; D419-M421 VanDerWaalsContact O-N 3.09Å; D419-K422 WeakPolarHBondContact O-CB 3.49Å; D419-K422 WeakPolarHBondContact O-CG 3.05Å; D419-K422 PolarHBondContact O-N 2.95Å; D419-K422 WeakPolarHBondContact OD1-CD 3.37Å; D419-K422 WeakPolarHBondContact OD1-CE 3.5Å; D419-K422 IonicContact OD1-NZ 3.92Å; D419-K422 PolarHBondContact OD1-NZ 3.06Å; D419-L484 HydrophobicContact CB-CD1 4.25Å |
| 420 | K | 92.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.6 | -22.8 | 173.5 | -69.7 | 175.4 | -175.9 | 175.2 | 0 | 113.2 | I378 T380 K416 Q417 I418 K422 I423 P424 | I378-K420 HydrophobicContact CG2-CB 3.74Å; I378-K420 HydrophobicContact CG2-CD 4Å; T380-K420 PolarHBondContact OG1-NZ 2.87Å; T380-K420 VanDerWaalsContact OG1-NZ 3.17Å; K416-K420 WeakPolarHBondContact O-CG 3.47Å; K416-K420 PolarHBondContact O-N 3.46Å; Q417-K420 PolarHBondContact O-N 2.99Å; I418-K420 VanDerWaalsContact C-N 3.28Å; I418-K420 PolarHBondContact O-N 2.98Å; K420-K422 PolarHBondContact O-N 3.31Å; K420-I423 PolarHBondContact O-N 2.84Å; K420-P424 VanDerWaalsContact O-CD 3.25Å; K420-P424 WeakPolarHBondContact O-CD 3.32Å |
| 421 | M | 92.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.1 | 179.9 | -58.7 | 175.5 | 57.6 | 0 | 0 | 113.8 | M375 I378 I418 D419 I423 P424 S425 M661 V664 I665 Q668 | M375-M421 HydrophobicContact CE-CE 4.14Å; M375-M421 HydrophobicContact SD-CB 3.97Å; M375-M421 HydrophobicContact SD-CE 3.68Å; M375-M421 HydrophobicContact SD-CG 3.8Å; M375-M421 HydrophobicContact SD-SD 4.47Å; I378-M421 HydrophobicContact CD1-CB 4.02Å; I378-M421 HydrophobicContact CD1-CG 3.52Å; I418-M421 WeakPolarHBondContact O-CB 3.36Å; I418-M421 WeakPolarHBondContact O-CG 3.34Å; I418-M421 PolarHBondContact O-N 3.19Å; D419-M421 PolarHBondContact O-N 3.1Å; D419-M421 VanDerWaalsContact O-N 3.09Å; M421-I423 VanDerWaalsContact C-N 3.3Å; M421-I423 PolarHBondContact O-N 2.79Å; M421-P424 WeakPolarHBondContact O-CD 3.25Å; M421-S425 WeakPolarHBondContact O-CB 3.29Å; M421-S425 PolarHBondContact O-N 3.28Å; M421-S425 PolarHBondContact O-OG 3.41Å; M421-M661 HydrophobicContact CG-CE 4.41Å; M421-M661 HydrophobicContact SD-CE 3.77Å; M421-V664 HydrophobicContact CE-CG1 3.88Å; M421-V664 HydrophobicContact SD-CB 4.41Å; M421-V664 HydrophobicContact SD-CG1 3.66Å; M421-I665 HydrophobicContact CE-CG1 4.1Å; M421-I665 HydrophobicContact SD-CG1 4.3Å; M421-Q668 HydrophobicContact CE-CB 3.29Å; M421-Q668 HydrophobicContact CE-CG 3.59Å |
| 422 | K | 95.2 | Very high | 95 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | 173.4 | -72 | 175 | 178.3 | 164.7 | 0 | 111.4 | D419 K420 S425 L426 V480 D481 | D419-K422 WeakPolarHBondContact O-CB 3.49Å; D419-K422 WeakPolarHBondContact O-CG 3.05Å; D419-K422 PolarHBondContact O-N 2.95Å; D419-K422 WeakPolarHBondContact OD1-CD 3.37Å; D419-K422 WeakPolarHBondContact OD1-CE 3.5Å; D419-K422 IonicContact OD1-NZ 3.92Å; D419-K422 PolarHBondContact OD1-NZ 3.06Å; K420-K422 PolarHBondContact O-N 3.31Å; K422-S425 PolarHBondContact O-N 2.96Å; K422-L426 WeakPolarHBondContact O-CB 3.3Å; K422-L426 VanDerWaalsContact O-CG 3.25Å; K422-L426 WeakPolarHBondContact O-CG 3.33Å; K422-L426 PolarHBondContact O-N 3.13Å; K422-V480 HydrophobicContact CD-CG1 4.4Å; K422-V480 HydrophobicContact CG-CB 3.81Å; K422-V480 HydrophobicContact CG-CG1 3.8Å; K422-V480 HydrophobicContact CG-CG2 3.83Å; K422-D481 VanDerWaalsContact CE-OD1 3.23Å; K422-D481 WeakPolarHBondContact CE-OD1 3.38Å; K422-D481 IonicContact NZ-OD1 2.74Å; K422-D481 PolarHBondContact NZ-OD1 2.85Å |
| 423 | I | 94.4 | Very high | 95.3 | Very high | 127 Ų | 127 | 36.7 Ų | 36.7 | 65% | 0.651 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -62 | -56.9 | -173.8 | -59.9 | 171.4 | 0 | 0 | 0 | 112.2 | K420 M421 S425 L426 K427 | K420-I423 PolarHBondContact O-N 2.84Å; M421-I423 VanDerWaalsContact C-N 3.3Å; M421-I423 PolarHBondContact O-N 2.79Å; I423-S425 VanDerWaalsContact C-N 3.3Å; I423-S425 PolarHBondContact O-N 3.02Å; I423-L426 PolarHBondContact O-N 3.31Å; I423-K427 WeakPolarHBondContact O-CB 3.3Å; I423-K427 PolarHBondContact O-N 2.77Å |
| 424 | P | 94.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.4 | 22.9 | -30.1 | 0 | 0 | 0 | 113.2 | E374 M375 I378 K420 M421 C428 | E374-P424 HydrophobicContact CB-CB 3.69Å; M375-P424 HydrophobicContact CE-CG 4.18Å; M375-P424 HydrophobicContact SD-CG 3.94Å; I378-P424 HydrophobicContact CD1-CG 3.64Å; I378-P424 HydrophobicContact CG1-CG 4.1Å; K420-P424 VanDerWaalsContact O-CD 3.25Å; K420-P424 WeakPolarHBondContact O-CD 3.32Å; M421-P424 WeakPolarHBondContact O-CD 3.25Å; P424-C428 WeakPolarHBondContact O-CB 3.34Å; P424-C428 PolarHBondContact O-N 2.83Å |
| 425 | S | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | M421 K422 I423 C428 A429 Q668 | M421-S425 WeakPolarHBondContact O-CB 3.29Å; M421-S425 PolarHBondContact O-N 3.28Å; M421-S425 PolarHBondContact O-OG 3.41Å; K422-S425 PolarHBondContact O-N 2.96Å; I423-S425 VanDerWaalsContact C-N 3.3Å; I423-S425 PolarHBondContact O-N 3.02Å; S425-C428 WeakPolarHBondContact O-CB 3.42Å; S425-C428 PolarHBondContact O-N 2.71Å; S425-A429 PolarHBondContact O-N 2.86Å; S425-Q668 PolarHBondContact OG-NE2 3.4Å |
| 426 | L | 97.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 175.4 | -70.5 | 172.5 | 0 | 0 | 0 | 111.5 | K422 I423 C428 A429 D430 R473 I476 V477 | K422-L426 WeakPolarHBondContact O-CB 3.3Å; K422-L426 VanDerWaalsContact O-CG 3.25Å; K422-L426 WeakPolarHBondContact O-CG 3.33Å; K422-L426 PolarHBondContact O-N 3.13Å; I423-L426 PolarHBondContact O-N 3.31Å; L426-C428 PolarHBondContact O-N 2.96Å; L426-A429 WeakPolarHBondContact O-CA 3.33Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 3.3Å; L426-A429 PolarHBondContact O-N 3.21Å; L426-D430 PolarHBondContact O-N 2.92Å; L426-R473 HydrophobicContact CD2-CB 3.72Å; L426-R473 HydrophobicContact CD2-CG 3.81Å; L426-I476 HydrophobicContact CD2-CB 4.32Å; L426-I476 HydrophobicContact CD2-CG2 4.06Å; L426-I476 HydrophobicContact CG-CG2 4.28Å; L426-V477 HydrophobicContact CD1-CG2 4.35Å; L426-V477 HydrophobicContact CD2-CG2 4.31Å |
| 427 | K | 95.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 35.5 Ų | 35.5 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 175 | -171.1 | 177 | -170.7 | 176.2 | 0 | 112.7 | E374 I423 A429 D430 L431 | E374-K427 VanDerWaalsContact OE1-CE 3.28Å; E374-K427 WeakPolarHBondContact OE1-CE 3.46Å; E374-K427 IonicContact OE1-NZ 3.89Å; E374-K427 PolarHBondContact OE1-NZ 2.61Å; I423-K427 WeakPolarHBondContact O-CB 3.3Å; I423-K427 PolarHBondContact O-N 2.77Å; K427-A429 VanDerWaalsContact C-N 3.33Å; K427-D430 PolarHBondContact O-N 2.92Å; K427-L431 VanDerWaalsContact O-CG 3.31Å; K427-L431 WeakPolarHBondContact O-CG 3.33Å; K427-L431 PolarHBondContact O-N 3.3Å; K427-L431 VanDerWaalsContact O-N 3.07Å |
| 428 | C | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | L371 P424 S425 L426 L431 V432 V672 | L371-C428 HydrophobicContact CB-CB 4.37Å; L371-C428 HydrophobicContact CD1-CB 3.9Å; P424-C428 WeakPolarHBondContact O-CB 3.34Å; P424-C428 PolarHBondContact O-N 2.83Å; S425-C428 WeakPolarHBondContact O-CB 3.42Å; S425-C428 PolarHBondContact O-N 2.71Å; L426-C428 PolarHBondContact O-N 2.96Å; C428-L431 PolarHBondContact O-N 3.44Å; C428-V432 WeakPolarHBondContact O-CG2 3.07Å; C428-V432 PolarHBondContact O-N 3.29Å; C428-V672 HydrophobicContact CB-CG1 4.45Å |
| 429 | A | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S425 L426 K427 L431 V432 V433 R473 I476 L676 | S425-A429 PolarHBondContact O-N 2.86Å; L426-A429 WeakPolarHBondContact O-CA 3.33Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 3.3Å; L426-A429 PolarHBondContact O-N 3.21Å; K427-A429 VanDerWaalsContact C-N 3.33Å; A429-L431 VanDerWaalsContact C-N 3.29Å; A429-L431 PolarHBondContact O-N 3.28Å; A429-V432 PolarHBondContact O-N 3.41Å; A429-V432 VanDerWaalsContact O-N 3.14Å; A429-V433 WeakPolarHBondContact O-CG2 3.19Å; A429-V433 PolarHBondContact O-N 2.94Å; A429-R473 HydrophobicContact CB-CG 4.47Å; A429-I476 HydrophobicContact CB-CD1 3.78Å; A429-L676 HydrophobicContact CB-CD1 4.34Å; A429-L676 HydrophobicContact CB-CD2 3.67Å |
| 430 | D | 97.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 178.8 | -57.1 | -21.4 | 0 | 0 | 0 | 111.4 | L426 K427 V433 A434 | L426-D430 PolarHBondContact O-N 2.92Å; K427-D430 PolarHBondContact O-N 2.92Å; D430-V433 PolarHBondContact O-N 2.94Å; D430-A434 WeakPolarHBondContact O-CB 3.24Å; D430-A434 PolarHBondContact O-N 3.42Å |
| 431 | L | 97.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 177.7 | -69.5 | 173.5 | 0 | 0 | 0 | 112 | I366 R370 K427 C428 A429 A434 Q435 | I366-L431 HydrophobicContact CD1-CB 3.8Å; I366-L431 HydrophobicContact CG1-CB 4.23Å; I366-L431 HydrophobicContact CG2-CB 3.99Å; I366-L431 HydrophobicContact CG2-CD1 4.28Å; R370-L431 HydrophobicContact CG-CD1 3.64Å; K427-L431 VanDerWaalsContact O-CG 3.31Å; K427-L431 WeakPolarHBondContact O-CG 3.33Å; K427-L431 PolarHBondContact O-N 3.3Å; K427-L431 VanDerWaalsContact O-N 3.07Å; C428-L431 PolarHBondContact O-N 3.44Å; A429-L431 VanDerWaalsContact C-N 3.29Å; A429-L431 PolarHBondContact O-N 3.28Å; L431-A434 PolarHBondContact O-N 2.72Å; L431-Q435 WeakPolarHBondContact O-CG 3.38Å; L431-Q435 PolarHBondContact O-N 3.22Å |
| 432 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I363 I366 F367 C428 A429 A434 Q435 L436 L676 L680 | I363-V432 HydrophobicContact CG2-CG2 4.4Å; I366-V432 HydrophobicContact CD1-CG2 4.37Å; I366-V432 HydrophobicContact CG2-CG2 4.07Å; F367-V432 HydrophobicContact CD1-CG2 4.41Å; F367-V432 HydrophobicContact CE1-CG2 3.56Å; F367-V432 HydrophobicContact CZ-CG2 3.92Å; C428-V432 WeakPolarHBondContact O-CG2 3.07Å; C428-V432 PolarHBondContact O-N 3.29Å; A429-V432 PolarHBondContact O-N 3.41Å; A429-V432 VanDerWaalsContact O-N 3.14Å; V432-A434 PolarHBondContact O-N 3.35Å; V432-Q435 PolarHBondContact O-N 3.01Å; V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.33Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 2.97Å; V432-L436 PolarHBondContact O-N 3.28Å; V432-L676 HydrophobicContact CG2-CD1 4.31Å; V432-L680 HydrophobicContact CG1-CD1 4.18Å |
| 433 | V | 98.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.6 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | A429 D430 Q435 L436 T437 I465 E469 L680 | A429-V433 WeakPolarHBondContact O-CG2 3.19Å; A429-V433 PolarHBondContact O-N 2.94Å; D430-V433 PolarHBondContact O-N 2.94Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.29Å; V433-L436 PolarHBondContact O-N 3.08Å; V433-T437 WeakPolarHBondContact O-CB 3.47Å; V433-T437 PolarHBondContact O-N 2.99Å; V433-T437 PolarHBondContact O-OG1 2.9Å; V433-I465 HydrophobicContact CG1-CG2 3.81Å; V433-E469 HydrophobicContact CG2-CB 3.89Å; V433-E469 HydrophobicContact CG2-CG 3.85Å; V433-L680 HydrophobicContact CG2-CD1 3.95Å |
| 434 | A | 97.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 44% | 0.438 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | D430 L431 V432 T437 E438 | D430-A434 WeakPolarHBondContact O-CB 3.24Å; D430-A434 PolarHBondContact O-N 3.42Å; L431-A434 PolarHBondContact O-N 2.72Å; V432-A434 PolarHBondContact O-N 3.35Å; A434-T437 PolarHBondContact O-N 3.48Å; A434-E438 PolarHBondContact O-N 3.28Å; A434-E438 VanDerWaalsContact O-N 3.12Å |
| 435 | Q | 96.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.8 | -67.6 | -53.4 | -56.5 | 0 | 0 | 112.6 | I363 I366 L431 V432 V433 T437 E438 I439 | I363-Q435 HydrophobicContact CG1-CB 4.01Å; I366-Q435 HydrophobicContact CD1-CG 3.51Å; L431-Q435 WeakPolarHBondContact O-CG 3.38Å; L431-Q435 PolarHBondContact O-N 3.22Å; V432-Q435 PolarHBondContact O-N 3.01Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.29Å; Q435-T437 VanDerWaalsContact C-N 3.32Å; Q435-T437 PolarHBondContact O-N 3Å; Q435-E438 PolarHBondContact O-N 3.01Å; Q435-I439 WeakPolarHBondContact O-CD1 3.42Å; Q435-I439 VanDerWaalsContact O-CG1 3.23Å; Q435-I439 WeakPolarHBondContact O-CG1 3.47Å; Q435-I439 PolarHBondContact O-N 2.99Å |
| 436 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.1 | -72.5 | 165.8 | 0 | 0 | 0 | 112 | F341 I345 I363 V432 V433 I439 V440 I465 L680 V681 I684 | F341-L436 HydrophobicContact CZ-CD2 4.03Å; I345-L436 HydrophobicContact CD1-CD2 3.86Å; I363-L436 HydrophobicContact CD1-CD2 3.97Å; I363-L436 HydrophobicContact CD1-CG 4.25Å; V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.33Å; V432-L436 VanDerWaalsContact O-CG 3.3Å; V432-L436 WeakPolarHBondContact O-CG 2.97Å; V432-L436 PolarHBondContact O-N 3.28Å; V433-L436 PolarHBondContact O-N 3.08Å; L436-I439 PolarHBondContact O-N 3.32Å; L436-V440 WeakPolarHBondContact O-CG2 3.45Å; L436-V440 PolarHBondContact O-N 2.99Å; L436-I465 HydrophobicContact CB-CD1 4.25Å; L436-L680 HydrophobicContact CD1-CB 4.14Å; L436-V681 HydrophobicContact CD1-CG2 4.34Å; L436-V681 HydrophobicContact CD2-CG2 4.29Å; L436-I684 HydrophobicContact CD1-CD1 3.71Å; L436-I684 HydrophobicContact CD2-CD1 4.18Å; L436-I684 HydrophobicContact CG-CD1 4.38Å |
| 437 | T | 97.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | V433 A434 Q435 I439 V440 H441 | V433-T437 WeakPolarHBondContact O-CB 3.47Å; V433-T437 PolarHBondContact O-N 2.99Å; V433-T437 PolarHBondContact O-OG1 2.9Å; A434-T437 PolarHBondContact O-N 3.48Å; Q435-T437 VanDerWaalsContact C-N 3.32Å; Q435-T437 PolarHBondContact O-N 3Å; T437-I439 PolarHBondContact O-N 2.62Å; T437-V440 PolarHBondContact O-N 3.06Å; T437-H441 PolarHBondContact O-N 3.2Å |
| 438 | E | 96.5 | Very high | 95.8 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 56% | 0.556 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.7 | -42.1 | 176.8 | -171.7 | 62.3 | -149.8 | 0 | 0 | 111.9 | A434 Q435 V440 H441 A442 | A434-E438 PolarHBondContact O-N 3.28Å; A434-E438 VanDerWaalsContact O-N 3.12Å; Q435-E438 PolarHBondContact O-N 3.01Å; E438-V440 PolarHBondContact O-N 3.34Å; E438-H441 PolarHBondContact O-N 2.85Å; E438-A442 PolarHBondContact O-N 2.95Å |
| 439 | I | 96.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 177 | -66.2 | 163.2 | 0 | 0 | 0 | 110.9 | F341 A344 I345 G359 I363 Q435 L436 T437 H441 A442 C443 | F341-I439 HydrophobicContact CD2-CG2 3.75Å; F341-I439 HydrophobicContact CE2-CB 4.48Å; F341-I439 HydrophobicContact CE2-CG2 3.85Å; A344-I439 HydrophobicContact CB-CG2 3.61Å; I345-I439 HydrophobicContact CD1-CD1 3.49Å; I345-I439 VanDerWaalsContact CD1-CD1 3.49Å; G359-I439 VanDerWaalsContact CA-CD1 3.47Å; I363-I439 HydrophobicContact CD1-CD1 4.23Å; Q435-I439 WeakPolarHBondContact O-CD1 3.42Å; Q435-I439 VanDerWaalsContact O-CG1 3.23Å; Q435-I439 WeakPolarHBondContact O-CG1 3.47Å; Q435-I439 PolarHBondContact O-N 2.99Å; L436-I439 PolarHBondContact O-N 3.32Å; T437-I439 PolarHBondContact O-N 2.62Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 2.8Å; I439-A442 PolarHBondContact O-N 3.42Å; I439-C443 WeakPolarHBondContact O-CB 3.37Å; I439-C443 PolarHBondContact O-N 3.47Å; I439-C443 PolarHBondContact O-SG 2.92Å; I439-C443 VanDerWaalsContact O-SG 3.33Å |
| 440 | V | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | F337 F341 L436 T437 E438 A442 C443 T444 E458 V461 I465 | F337-V440 HydrophobicContact CZ-CG1 4.3Å; F341-V440 HydrophobicContact CD2-CG2 4.17Å; F341-V440 HydrophobicContact CE2-CG2 3.82Å; L436-V440 WeakPolarHBondContact O-CG2 3.45Å; L436-V440 PolarHBondContact O-N 2.99Å; T437-V440 PolarHBondContact O-N 3.06Å; E438-V440 PolarHBondContact O-N 3.34Å; V440-A442 PolarHBondContact O-N 3.47Å; V440-C443 PolarHBondContact O-N 3.38Å; V440-T444 HydrophobicContact CG1-CG2 4.2Å; V440-T444 WeakPolarHBondContact O-CG2 3.29Å; V440-T444 PolarHBondContact O-N 2.71Å; V440-T444 PolarHBondContact O-OG1 2.89Å; V440-E458 HydrophobicContact CG1-CG 4.31Å; V440-V461 HydrophobicContact CB-CG1 4.5Å; V440-V461 HydrophobicContact CG1-CB 4.15Å; V440-V461 HydrophobicContact CG1-CG1 4.04Å; V440-V461 HydrophobicContact CG2-CG1 3.58Å; V440-I465 HydrophobicContact CG2-CD1 3.83Å |
| 441 | H | 96.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 178.7 | -173.8 | 72.9 | 0 | 0 | 0 | 112.6 | T437 E438 I439 C443 T444 A445 E458 | T437-H441 PolarHBondContact O-N 3.2Å; E438-H441 PolarHBondContact O-N 2.85Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 2.8Å; H441-C443 VanDerWaalsContact C-N 3.32Å; H441-C443 PolarHBondContact O-N 3.2Å; H441-T444 PolarHBondContact O-N 3.01Å; H441-T444 PolarHBondContact O-OG1 2.99Å; H441-T444 VanDerWaalsContact O-OG1 3.09Å; H441-A445 PolarHBondContact O-N 3.36Å; H441-A445 VanDerWaalsContact O-N 3.08Å; H441-E458 IonicContact CE1-OE1 3.83Å; H441-E458 IonicContact CG-OE1 2.82Å; H441-E458 IonicContact ND1-OE1 3.83Å; H441-E458 PolarHBondContact ND1-OE1 2.93Å; H441-E458 IonicContact ND1-OE2 2.57Å |
| 442 | A | 94.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E438 I439 V440 | E438-A442 PolarHBondContact O-N 2.95Å; I439-A442 PolarHBondContact O-N 3.42Å; V440-A442 PolarHBondContact O-N 3.47Å |
| 443 | C | 94.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.5 | -43.6 | 176.8 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | F337 D340 I439 V440 H441 A445 R446 | F337-C443 HydrophobicContact CD2-CB 3.67Å; F337-C443 HydrophobicContact CE2-CB 3.45Å; F337-C443 VanDerWaalsContact CE2-CB 3.45Å; D340-C443 HydrophobicContact CB-CB 4.47Å; I439-C443 WeakPolarHBondContact O-CB 3.37Å; I439-C443 PolarHBondContact O-N 3.47Å; I439-C443 PolarHBondContact O-SG 2.92Å; I439-C443 VanDerWaalsContact O-SG 3.33Å; V440-C443 PolarHBondContact O-N 3.38Å; H441-C443 VanDerWaalsContact C-N 3.32Å; H441-C443 PolarHBondContact O-N 3.2Å; C443-A445 VanDerWaalsContact C-N 3.25Å; C443-A445 PolarHBondContact O-N 2.69Å; C443-R446 PolarHBondContact O-N 3.42Å |
| 444 | T | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.9 | -25.3 | 179.3 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | F337 V440 H441 R446 M447 R454 T457 E458 | F337-T444 HydrophobicContact CD2-CG2 4.01Å; F337-T444 HydrophobicContact CE2-CG2 3.39Å; F337-T444 HydrophobicContact CZ-CG2 3.93Å; V440-T444 HydrophobicContact CG1-CG2 4.2Å; V440-T444 WeakPolarHBondContact O-CG2 3.29Å; V440-T444 PolarHBondContact O-N 2.71Å; V440-T444 PolarHBondContact O-OG1 2.89Å; H441-T444 PolarHBondContact O-N 3.01Å; H441-T444 PolarHBondContact O-OG1 2.99Å; H441-T444 VanDerWaalsContact O-OG1 3.09Å; T444-R446 PolarHBondContact O-N 3.12Å; T444-R446 VanDerWaalsContact O-N 3.11Å; T444-M447 HydrophobicContact CG2-SD 4.4Å; T444-M447 VanDerWaalsContact O-CB 3.29Å; T444-M447 WeakPolarHBondContact O-CB 3.36Å; T444-M447 PolarHBondContact O-N 3.26Å; T444-R454 WeakPolarHBondContact O-CD 2.96Å; T444-R454 WeakPolarHBondContact O-CG 3.1Å; T444-T457 HydrophobicContact CG2-CG2 4.11Å; T444-E458 HydrophobicContact CG2-CB 3.96Å; T444-E458 PolarHBondContact OG1-OE2 3.38Å |
| 445 | A | 93.3 | Very high | 94 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -54.8 | -29.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H441 C443 M447 E448 | H441-A445 PolarHBondContact O-N 3.36Å; H441-A445 VanDerWaalsContact O-N 3.08Å; C443-A445 VanDerWaalsContact C-N 3.25Å; C443-A445 PolarHBondContact O-N 2.69Å; A445-M447 PolarHBondContact O-N 2.88Å; A445-E448 PolarHBondContact O-N 3.21Å |
| 446 | R | 89.4 | Confident | 93.9 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -73.7 | -8.4 | 176.3 | -63.9 | -169 | -118.1 | 173.5 | 4.8 | 114.3 | D340 C443 T444 E448 | D340-R446 VanDerWaalsContact CB-NH2 3.32Å; D340-R446 IonicContact OD1-CZ 2.7Å; D340-R446 IonicContact OD1-NH1 3.94Å; D340-R446 PolarHBondContact OD1-NH1 2.71Å; D340-R446 IonicContact OD1-NH2 2.66Å; D340-R446 PolarHBondContact OD1-NH2 2.89Å; D340-R446 IonicContact OD2-CZ 2.78Å; D340-R446 IonicContact OD2-NE 2.99Å; D340-R446 PolarHBondContact OD2-NE 2.96Å; D340-R446 IonicContact OD2-NH1 3.89Å; D340-R446 PolarHBondContact OD2-NH1 3.37Å; D340-R446 IonicContact OD2-NH2 3.13Å; C443-R446 PolarHBondContact O-N 3.42Å; T444-R446 PolarHBondContact O-N 3.12Å; T444-R446 VanDerWaalsContact O-N 3.11Å; R446-E448 PolarHBondContact O-N 3.5Å |
| 447 | M | 91.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -89.6 | 22.4 | 175.9 | -51.5 | 173.6 | 81.5 | 0 | 0 | 111.8 | T333 F337 T444 A445 N449 F450 L453 R454 T457 | T333-M447 HydrophobicContact CG2-CB 4.25Å; T333-M447 HydrophobicContact CG2-CE 3.48Å; T333-M447 VanDerWaalsContact CG2-CE 3.48Å; T333-M447 HydrophobicContact CG2-CG 3.86Å; T333-M447 HydrophobicContact CG2-SD 4.48Å; F337-M447 HydrophobicContact CB-SD 4.25Å; F337-M447 HydrophobicContact CD2-SD 4.28Å; F337-M447 HydrophobicContact CG-SD 4.34Å; T444-M447 HydrophobicContact CG2-SD 4.4Å; T444-M447 VanDerWaalsContact O-CB 3.29Å; T444-M447 WeakPolarHBondContact O-CB 3.36Å; T444-M447 PolarHBondContact O-N 3.26Å; A445-M447 PolarHBondContact O-N 2.88Å; M447-N449 PolarHBondContact O-N 3.28Å; M447-N449 VanDerWaalsContact O-N 3.07Å; M447-F450 CarbonylContact O-C 3.57Å; M447-F450 PolarHBondContact O-N 3.37Å; M447-L453 HydrophobicContact CE-CD1 4.3Å; M447-L453 HydrophobicContact CE-CD2 3.6Å; M447-L453 HydrophobicContact CE-CG 3.54Å; M447-R454 HydrophobicContact CB-CB 3.97Å; M447-R454 HydrophobicContact CB-CG 4.46Å; M447-T457 HydrophobicContact CE-CG2 4.37Å; M447-T457 HydrophobicContact SD-CG2 4.1Å |
| 448 | E | 87.9 | Confident | 93.8 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -26.7 | -175 | 64.7 | 176.9 | -179.1 | 0 | 0 | 114.8 | A445 R446 F450 S709 | A445-E448 PolarHBondContact O-N 3.21Å; R446-E448 PolarHBondContact O-N 3.5Å; E448-F450 PolarHBondContact O-N 2.64Å; E448-S709 WeakPolarHBondContact O-CB 3.29Å |
| 449 | N | 86.8 | Confident | 93.8 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.6 | 177.3 | -65.7 | -25.7 | 0 | 0 | 0 | 112.5 | M447 E708 S709 V712 | M447-N449 PolarHBondContact O-N 3.28Å; M447-N449 VanDerWaalsContact O-N 3.07Å; N449-E708 CarbonylContact O-C 3.55Å; N449-E708 WeakPolarHBondContact O-CA 3.41Å; N449-S709 PolarHBondContact O-N 3.45Å; N449-V712 HydrophobicContact CB-CG2 4.34Å; N449-V712 VanDerWaalsContact OD1-CG2 3.24Å; N449-V712 WeakPolarHBondContact OD1-CG2 3.47Å |
| 450 | F | 91.3 | Very high | 93.9 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 11% | 0.114 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -128.4 | 78.3 | -179.2 | -55.1 | -65.6 | 0 | 0 | 0 | 110.3 | A329 T333 M447 E448 R452 L453 R454 M706 E708 | A329-F450 HydrophobicContact CB-CZ 4.44Å; T333-F450 HydrophobicContact CG2-CD2 4.5Å; M447-F450 CarbonylContact O-C 3.57Å; M447-F450 PolarHBondContact O-N 3.37Å; E448-F450 PolarHBondContact O-N 2.64Å; F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 3.48Å; F450-L453 HydrophobicContact CB-CB 3.74Å; F450-L453 HydrophobicContact CB-CD2 4.21Å; F450-L453 HydrophobicContact CD2-CD2 4.42Å; F450-L453 WeakPolarHBondContact O-CB 3.28Å; F450-L453 PolarHBondContact O-N 2.87Å; F450-L453 VanDerWaalsContact O-N 3.12Å; F450-R454 PolarHBondContact O-N 3.28Å; F450-M706 HydrophobicContact CD1-CE 3.91Å; F450-M706 HydrophobicContact CD2-CE 3.92Å; F450-M706 HydrophobicContact CE1-CE 3.7Å; F450-M706 HydrophobicContact CE2-CE 3.7Å; F450-M706 HydrophobicContact CG-CE 4.02Å; F450-M706 HydrophobicContact CG-SD 4.49Å; F450-M706 HydrophobicContact CZ-CE 3.59Å; F450-E708 HydrophobicContact CE1-CG 4.42Å |
| 451 | P | 92.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 29% | 0.292 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -39.4 | -172.1 | -26.6 | 35 | 0 | 0 | 0 | 114.1 | R454 E455 | P451-R454 WeakPolarHBondContact O-CB 3.42Å; P451-R454 PolarHBondContact O-N 3.43Å; P451-E455 WeakPolarHBondContact O-CG 3.31Å; P451-E455 PolarHBondContact O-N 2.8Å |
| 452 | R | 92.2 | Very high | 94 | Very high | 134 Ų | 134 | 51.9 Ų | 51.9 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 178.2 | -67.6 | -169.5 | 179.4 | -178.2 | 2.4 | 112.5 | F450 R454 E455 E456 S704 | F450-R452 VanDerWaalsContact C-N 3.31Å; F450-R452 PolarHBondContact O-N 3.48Å; R452-R454 VanDerWaalsContact C-N 3.31Å; R452-E455 PolarHBondContact O-N 3.2Å; R452-E456 WeakPolarHBondContact O-CB 3.45Å; R452-E456 PolarHBondContact O-N 3.47Å; R452-S704 VanDerWaalsContact CD-O 3.27Å; R452-S704 WeakPolarHBondContact CD-O 3.5Å; R452-S704 PolarHBondContact NH1-OG 3.26Å |
| 453 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 173.2 | 176.1 | 63.2 | 0 | 0 | 0 | 110.9 | L330 T333 M447 F450 T457 L696 L705 M706 | L330-L453 HydrophobicContact CD1-CD1 3.43Å; L330-L453 VanDerWaalsContact CD1-CD1 3.43Å; L330-L453 HydrophobicContact CD1-CD2 3.82Å; L330-L453 HydrophobicContact CD1-CG 4.28Å; T333-L453 HydrophobicContact CG2-CD2 3.92Å; M447-L453 HydrophobicContact CE-CD1 4.3Å; M447-L453 HydrophobicContact CE-CD2 3.6Å; M447-L453 HydrophobicContact CE-CG 3.54Å; F450-L453 HydrophobicContact CB-CB 3.74Å; F450-L453 HydrophobicContact CB-CD2 4.21Å; F450-L453 HydrophobicContact CD2-CD2 4.42Å; F450-L453 WeakPolarHBondContact O-CB 3.28Å; F450-L453 PolarHBondContact O-N 2.87Å; F450-L453 VanDerWaalsContact O-N 3.12Å; L453-T457 WeakPolarHBondContact O-CB 3.4Å; L453-T457 PolarHBondContact O-N 3.25Å; L453-T457 PolarHBondContact O-OG1 2.84Å; L453-L696 HydrophobicContact CD1-CD1 3.94Å; L453-L696 HydrophobicContact CD1-CD2 3.92Å; L453-L696 HydrophobicContact CD1-CG 4.48Å; L453-L705 WeakPolarHBondContact CB-O 3.17Å; L453-L705 PolarHBondContact N-O 2.71Å; L453-M706 HydrophobicContact CD2-SD 3.8Å |
| 454 | R | 95.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.7 | -54.1 | 175 | 174.7 | -177.5 | 169.8 | -176.8 | -0.6 | 111.3 | T444 M447 F450 P451 R452 T457 E458 | T444-R454 WeakPolarHBondContact O-CD 2.96Å; T444-R454 WeakPolarHBondContact O-CG 3.1Å; M447-R454 HydrophobicContact CB-CB 3.97Å; M447-R454 HydrophobicContact CB-CG 4.46Å; F450-R454 PolarHBondContact O-N 3.28Å; P451-R454 WeakPolarHBondContact O-CB 3.42Å; P451-R454 PolarHBondContact O-N 3.43Å; R452-R454 VanDerWaalsContact C-N 3.31Å; R454-T457 PolarHBondContact O-N 2.94Å; R454-E458 WeakPolarHBondContact O-CB 3.12Å; R454-E458 PolarHBondContact O-N 3.32Å |
| 455 | E | 94.4 | Very high | 94.4 | Very high | 126 Ų | 126 | 56 Ų | 56 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.2 | -47.7 | -178.9 | -74 | 171.2 | -171.3 | 0 | 0 | 111.9 | P451 R452 E458 R459 | P451-E455 WeakPolarHBondContact O-CG 3.31Å; P451-E455 PolarHBondContact O-N 2.8Å; R452-E455 PolarHBondContact O-N 3.2Å; E455-E458 PolarHBondContact O-N 3.19Å; E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.37Å; E455-R459 PolarHBondContact O-N 3.16Å |
| 456 | E | 94.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 179.4 | -74 | -58.3 | 138.7 | 0 | 0 | 112.5 | R452 R459 I460 L696 L705 | R452-E456 WeakPolarHBondContact O-CB 3.45Å; R452-E456 PolarHBondContact O-N 3.47Å; E456-R459 PolarHBondContact O-N 3.44Å; E456-R459 IonicContact OE1-NE 3.5Å; E456-R459 IonicContact OE2-CZ 3.47Å; E456-R459 VanDerWaalsContact OE2-CZ 3.26Å; E456-R459 IonicContact OE2-NE 2.8Å; E456-R459 PolarHBondContact OE2-NE 3.34Å; E456-R459 IonicContact OE2-NH2 2.82Å; E456-R459 PolarHBondContact OE2-NH2 3.34Å; E456-I460 WeakPolarHBondContact O-CB 3.31Å; E456-I460 WeakPolarHBondContact O-CD1 3.49Å; E456-I460 WeakPolarHBondContact O-CG1 3.48Å; E456-I460 PolarHBondContact O-N 3.49Å; E456-L696 HydrophobicContact CB-CD2 4.1Å; E456-L705 HydrophobicContact CB-CD2 3.88Å; E456-L705 HydrophobicContact CG-CD2 3.72Å |
| 457 | T | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | F337 T444 M447 L453 R454 R459 I460 V461 L692 | F337-T457 HydrophobicContact CD1-CG2 3.88Å; F337-T457 HydrophobicContact CE1-CG2 3.7Å; F337-T457 HydrophobicContact CE2-CG2 4.45Å; F337-T457 HydrophobicContact CG-CG2 4.31Å; F337-T457 HydrophobicContact CZ-CG2 4.03Å; T444-T457 HydrophobicContact CG2-CG2 4.11Å; M447-T457 HydrophobicContact CE-CG2 4.37Å; M447-T457 HydrophobicContact SD-CG2 4.1Å; L453-T457 WeakPolarHBondContact O-CB 3.4Å; L453-T457 PolarHBondContact O-N 3.25Å; L453-T457 PolarHBondContact O-OG1 2.84Å; R454-T457 PolarHBondContact O-N 2.94Å; T457-R459 PolarHBondContact O-N 3.39Å; T457-I460 PolarHBondContact O-N 2.97Å; T457-V461 HydrophobicContact CG2-CG2 4.46Å; T457-V461 VanDerWaalsContact O-CG2 3.25Å; T457-V461 WeakPolarHBondContact O-CG2 3.24Å; T457-V461 PolarHBondContact O-N 2.96Å; T457-L692 HydrophobicContact CG2-CD1 4.3Å; T457-L692 HydrophobicContact CG2-CD2 4.08Å |
| 458 | E | 97.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 179.1 | -170.6 | 164.6 | 166.4 | 0 | 0 | 111.6 | V440 H441 T444 R454 E455 N462 | V440-E458 HydrophobicContact CG1-CG 4.31Å; H441-E458 IonicContact CE1-OE1 3.83Å; H441-E458 IonicContact CG-OE1 2.82Å; H441-E458 IonicContact ND1-OE1 3.83Å; H441-E458 PolarHBondContact ND1-OE1 2.93Å; H441-E458 IonicContact ND1-OE2 2.57Å; T444-E458 HydrophobicContact CG2-CB 3.96Å; T444-E458 PolarHBondContact OG1-OE2 3.38Å; R454-E458 WeakPolarHBondContact O-CB 3.12Å; R454-E458 PolarHBondContact O-N 3.32Å; E455-E458 PolarHBondContact O-N 3.19Å; E458-N462 WeakPolarHBondContact CG-ND2 3.29Å; E458-N462 VanDerWaalsContact O-CB 3.24Å; E458-N462 WeakPolarHBondContact O-CB 3.33Å; E458-N462 PolarHBondContact O-N 2.81Å; E458-N462 PolarHBondContact O-ND2 3.2Å; E458-N462 VanDerWaalsContact O-ND2 3.14Å |
| 459 | R | 96.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 42% | 0.419 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 177.8 | -171.5 | -169.4 | 66.7 | 68.9 | 0.9 | 111.8 | E455 E456 T457 Q463 | E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.37Å; E455-R459 PolarHBondContact O-N 3.16Å; E456-R459 PolarHBondContact O-N 3.44Å; E456-R459 IonicContact OE1-NE 3.5Å; E456-R459 IonicContact OE2-CZ 3.47Å; E456-R459 VanDerWaalsContact OE2-CZ 3.26Å; E456-R459 IonicContact OE2-NE 2.8Å; E456-R459 PolarHBondContact OE2-NE 3.34Å; E456-R459 IonicContact OE2-NH2 2.82Å; E456-R459 PolarHBondContact OE2-NH2 3.34Å; T457-R459 PolarHBondContact O-N 3.39Å; R459-Q463 WeakPolarHBondContact O-CB 3.48Å; R459-Q463 PolarHBondContact O-N 3.39Å |
| 460 | I | 97.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -46.9 | -178 | -70.9 | 165.2 | 0 | 0 | 0 | 110.7 | E456 T457 Q463 W464 F687 L692 N695 L696 A699 | E456-I460 WeakPolarHBondContact O-CB 3.31Å; E456-I460 WeakPolarHBondContact O-CD1 3.49Å; E456-I460 WeakPolarHBondContact O-CG1 3.48Å; E456-I460 PolarHBondContact O-N 3.49Å; T457-I460 PolarHBondContact O-N 2.97Å; I460-Q463 PolarHBondContact O-N 3.15Å; I460-W464 PolarHBondContact O-N 3.49Å; I460-F687 HydrophobicContact CG2-CE1 3.86Å; I460-F687 HydrophobicContact CG2-CZ 3.55Å; I460-L692 HydrophobicContact CB-CD1 4.47Å; I460-L692 HydrophobicContact CG2-CD1 4.03Å; I460-N695 HydrophobicContact CD1-CB 4.21Å; I460-N695 HydrophobicContact CG2-CB 4Å; I460-L696 HydrophobicContact CD1-CD2 3.78Å; I460-L696 HydrophobicContact CD1-CG 4.2Å; I460-A699 HydrophobicContact CD1-CB 3.99Å |
| 461 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -42.1 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 111 | F337 V440 T457 Q463 W464 I465 I684 F687 L688 L692 | F337-V461 HydrophobicContact CE1-CG2 4.01Å; F337-V461 HydrophobicContact CZ-CG2 4.25Å; V440-V461 HydrophobicContact CB-CG1 4.5Å; V440-V461 HydrophobicContact CG1-CB 4.15Å; V440-V461 HydrophobicContact CG1-CG1 4.04Å; V440-V461 HydrophobicContact CG2-CG1 3.58Å; T457-V461 HydrophobicContact CG2-CG2 4.46Å; T457-V461 VanDerWaalsContact O-CG2 3.25Å; T457-V461 WeakPolarHBondContact O-CG2 3.24Å; T457-V461 PolarHBondContact O-N 2.96Å; V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.05Å; V461-W464 WeakPolarHBondContact O-CB 3.26Å; V461-W464 PolarHBondContact O-N 3.46Å; V461-I465 HydrophobicContact CG1-CD1 4.19Å; V461-I465 WeakPolarHBondContact O-CG1 3.11Å; V461-I465 PolarHBondContact O-N 3.36Å; V461-I684 HydrophobicContact CG1-CG2 4.49Å; V461-F687 HydrophobicContact CG2-CE1 4.38Å; V461-L688 HydrophobicContact CG1-CD2 4.22Å; V461-L688 HydrophobicContact CG2-CD2 3.63Å; V461-L692 HydrophobicContact CG2-CD1 4.01Å; V461-L692 HydrophobicContact CG2-CD2 4.42Å |
| 462 | N | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 176.6 | -77.2 | -35.2 | 0 | 0 | 0 | 112.8 | E458 I465 R466 | E458-N462 WeakPolarHBondContact CG-ND2 3.29Å; E458-N462 VanDerWaalsContact O-CB 3.24Å; E458-N462 WeakPolarHBondContact O-CB 3.33Å; E458-N462 PolarHBondContact O-N 2.81Å; E458-N462 PolarHBondContact O-ND2 3.2Å; E458-N462 VanDerWaalsContact O-ND2 3.14Å; N462-I465 PolarHBondContact O-N 3.14Å; N462-R466 WeakPolarHBondContact O-CG 3.34Å; N462-R466 PolarHBondContact O-N 3.45Å; N462-R466 VanDerWaalsContact O-N 3.13Å |
| 463 | Q | 97.4 | Very high | 97.1 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 171 | -179.1 | 175.6 | -10.7 | 0 | 0 | 110.9 | R459 I460 V461 I465 R466 E467 | R459-Q463 WeakPolarHBondContact O-CB 3.48Å; R459-Q463 PolarHBondContact O-N 3.39Å; I460-Q463 PolarHBondContact O-N 3.15Å; V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.05Å; Q463-I465 PolarHBondContact O-N 2.86Å; Q463-R466 PolarHBondContact O-N 3.11Å; Q463-E467 PolarHBondContact NE2-OE1 2.92Å; Q463-E467 WeakPolarHBondContact O-CG 3.32Å; Q463-E467 PolarHBondContact O-N 3.46Å |
| 464 | W | 97.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 62 Ų | 62 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.5 | -171.8 | -112.7 | 0 | 0 | 0 | 112.8 | I460 V461 R466 E467 R468 E683 F687 | I460-W464 PolarHBondContact O-N 3.49Å; V461-W464 WeakPolarHBondContact O-CB 3.26Å; V461-W464 PolarHBondContact O-N 3.46Å; W464-R466 VanDerWaalsContact C-N 3.33Å; W464-R466 PolarHBondContact O-N 3.06Å; W464-E467 PolarHBondContact O-N 2.63Å; W464-R468 HydrophobicContact CD2-CG 4.4Å; W464-R468 VanDerWaalsContact CZ2-NE 3.32Å; W464-R468 VanDerWaalsContact O-CG 3.31Å; W464-R468 WeakPolarHBondContact O-CG 3.49Å; W464-R468 PolarHBondContact O-N 2.78Å; W464-E683 PolarHBondContact NE1-O 3.19Å; W464-F687 HydrophobicContact CB-CD1 4.37Å; W464-F687 HydrophobicContact CB-CE1 4.32Å; W464-F687 HydrophobicContact CB-CZ 4.41Å; W464-F687 AromaticContact CD1-CD1 3.96Å; W464-F687 AromaticContact CD1-CG 3.6Å; W464-F687 HydrophobicContact CD2-CB 4.43Å; W464-F687 AromaticContact CD2-CD2 3.59Å; W464-F687 HydrophobicContact CD2-CD2 3.59Å; W464-F687 AromaticContact CD2-CE2 3.99Å; W464-F687 HydrophobicContact CD2-CE2 3.99Å; W464-F687 AromaticContact CD2-CG 3.99Å; W464-F687 HydrophobicContact CD2-CG 3.99Å; W464-F687 AromaticContact CE2-CD2 3.51Å; W464-F687 AromaticContact CE2-CG 3.77Å; W464-F687 HydrophobicContact CE3-CD2 4.05Å; W464-F687 HydrophobicContact CE3-CE2 4.12Å; W464-F687 HydrophobicContact CG-CB 4.32Å; W464-F687 HydrophobicContact CG-CD1 4.11Å; W464-F687 AromaticContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CE1 4.44Å; W464-F687 HydrophobicContact CG-CE2 4.23Å; W464-F687 AromaticContact CG-CG 3.83Å; W464-F687 HydrophobicContact CG-CG 3.83Å; W464-F687 HydrophobicContact CH2-CD2 4.23Å; W464-F687 HydrophobicContact CZ2-CB 4.2Å; W464-F687 AromaticContact CZ2-CD2 3.8Å; W464-F687 HydrophobicContact CZ2-CD2 3.8Å; W464-F687 HydrophobicContact CZ2-CG 4.35Å; W464-F687 HydrophobicContact CZ3-CD2 4.36Å; W464-F687 AromaticContact NE1-CD2 3.85Å; W464-F687 AromaticContact NE1-CG 3.58Å |
| 465 | I | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 174.8 | -71.2 | 170.3 | 0 | 0 | 0 | 110.6 | V433 L436 V440 V461 N462 Q463 E467 R468 E469 I684 | V433-I465 HydrophobicContact CG1-CG2 3.81Å; L436-I465 HydrophobicContact CB-CD1 4.25Å; V440-I465 HydrophobicContact CG2-CD1 3.83Å; V461-I465 HydrophobicContact CG1-CD1 4.19Å; V461-I465 WeakPolarHBondContact O-CG1 3.11Å; V461-I465 PolarHBondContact O-N 3.36Å; N462-I465 PolarHBondContact O-N 3.14Å; Q463-I465 PolarHBondContact O-N 2.86Å; I465-E467 PolarHBondContact O-N 2.88Å; I465-R468 PolarHBondContact O-N 3.39Å; I465-E469 WeakPolarHBondContact O-CB 3.36Å; I465-E469 PolarHBondContact O-N 3.37Å; I465-I684 HydrophobicContact CD1-CD1 4.34Å; I465-I684 HydrophobicContact CG1-CD1 3.66Å; I465-I684 HydrophobicContact CG1-CG1 4.02Å |
| 466 | R | 97.7 | Very high | 97.6 | Very high | 173 Ų | 173 | 56.4 Ų | 56.4 | 65% | 0.653 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.7 | -40.6 | 179 | -70.2 | 174.7 | -176.7 | -175.6 | 2 | 112.7 | N462 Q463 W464 R468 E469 I470 | N462-R466 WeakPolarHBondContact O-CG 3.34Å; N462-R466 PolarHBondContact O-N 3.45Å; N462-R466 VanDerWaalsContact O-N 3.13Å; Q463-R466 PolarHBondContact O-N 3.11Å; W464-R466 VanDerWaalsContact C-N 3.33Å; W464-R466 PolarHBondContact O-N 3.06Å; R466-R468 VanDerWaalsContact C-N 3.29Å; R466-R468 PolarHBondContact O-N 3.28Å; R466-E469 WeakPolarHBondContact O-CB 3.09Å; R466-E469 PolarHBondContact O-N 3.04Å; R466-I470 WeakPolarHBondContact O-CG1 3.36Å; R466-I470 PolarHBondContact O-N 3.17Å |
| 467 | E | 97.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -38.4 | 175.9 | -71.8 | 176.8 | -163.2 | 0 | 0 | 111.7 | Q463 W464 I465 | Q463-E467 PolarHBondContact NE2-OE1 2.92Å; Q463-E467 WeakPolarHBondContact O-CG 3.32Å; Q463-E467 PolarHBondContact O-N 3.46Å; W464-E467 PolarHBondContact O-N 2.63Å; I465-E467 PolarHBondContact O-N 2.88Å |
| 468 | R | 98.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 11% | 0.106 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.9 | -33.7 | 177.3 | -63.5 | -57.9 | 176.7 | 150.5 | 4 | 113.3 | W464 I465 R466 R471 A472 L680 E683 | W464-R468 HydrophobicContact CD2-CG 4.4Å; W464-R468 VanDerWaalsContact CZ2-NE 3.32Å; W464-R468 VanDerWaalsContact O-CG 3.31Å; W464-R468 WeakPolarHBondContact O-CG 3.49Å; W464-R468 PolarHBondContact O-N 2.78Å; I465-R468 PolarHBondContact O-N 3.39Å; R466-R468 VanDerWaalsContact C-N 3.29Å; R466-R468 PolarHBondContact O-N 3.28Å; R468-R471 PolarHBondContact O-N 3.41Å; R468-A472 WeakPolarHBondContact O-CB 3.21Å; R468-A472 PolarHBondContact O-N 2.76Å; R468-L680 HydrophobicContact CB-CD2 3.72Å; R468-L680 WeakPolarHBondContact O-CD2 3.19Å; R468-E683 HydrophobicContact CG-CB 4.4Å; R468-E683 IonicContact CZ-OE2 3.43Å; R468-E683 IonicContact NE-OE2 3.56Å; R468-E683 IonicContact NH1-OE2 2.83Å; R468-E683 PolarHBondContact NH1-OE2 2.91Å; R468-E683 IonicContact NH2-OE2 3.86Å; R468-E683 PolarHBondContact NH2-OE2 2.85Å |
| 469 | E | 97.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.1 | -51.7 | 171.2 | 174.5 | -173.3 | 178.5 | 0 | 0 | 111.3 | V433 I465 R466 R471 A472 R473 | V433-E469 HydrophobicContact CG2-CB 3.89Å; V433-E469 HydrophobicContact CG2-CG 3.85Å; I465-E469 WeakPolarHBondContact O-CB 3.36Å; I465-E469 PolarHBondContact O-N 3.37Å; R466-E469 WeakPolarHBondContact O-CB 3.09Å; R466-E469 PolarHBondContact O-N 3.04Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 2.71Å; E469-A472 PolarHBondContact O-N 2.95Å; E469-A472 VanDerWaalsContact O-N 3.17Å; E469-R473 HydrophobicContact CG-CG 4.34Å; E469-R473 WeakPolarHBondContact O-CB 3.38Å; E469-R473 VanDerWaalsContact O-CG 3.26Å; E469-R473 WeakPolarHBondContact O-CG 3.31Å; E469-R473 PolarHBondContact O-N 3.37Å |
| 470 | I | 97.8 | Very high | 97.7 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -49.3 | -179.6 | -65.3 | 165.9 | 0 | 0 | 0 | 110.2 | R466 A472 R473 D474 | R466-I470 WeakPolarHBondContact O-CG1 3.36Å; R466-I470 PolarHBondContact O-N 3.17Å; I470-A472 PolarHBondContact O-N 3.34Å; I470-R473 PolarHBondContact O-N 3.38Å; I470-D474 PolarHBondContact O-N 2.82Å |
| 471 | R | 97.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 56.3 Ų | 56.3 | 48% | 0.475 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 178.5 | -65 | -175.2 | -173.1 | -178.4 | 3.9 | 112.5 | R468 E469 R473 D474 Q475 M679 | R468-R471 PolarHBondContact O-N 3.41Å; E469-R471 VanDerWaalsContact C-N 3.32Å; E469-R471 PolarHBondContact O-N 2.71Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R471-D474 PolarHBondContact O-N 2.68Å; R471-Q475 WeakPolarHBondContact O-CG 3.5Å; R471-Q475 PolarHBondContact O-N 3.44Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; R471-M679 HydrophobicContact CB-CE 3.95Å |
| 472 | A | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R468 E469 I470 Q475 I476 L676 M679 L680 | R468-A472 WeakPolarHBondContact O-CB 3.21Å; R468-A472 PolarHBondContact O-N 2.76Å; E469-A472 PolarHBondContact O-N 2.95Å; E469-A472 VanDerWaalsContact O-N 3.17Å; I470-A472 PolarHBondContact O-N 3.34Å; A472-Q475 PolarHBondContact O-N 2.87Å; A472-I476 WeakPolarHBondContact O-CG1 3.44Å; A472-I476 PolarHBondContact O-N 2.99Å; A472-L676 HydrophobicContact CB-CD2 4.21Å; A472-M679 HydrophobicContact CB-CB 4.06Å; A472-L680 HydrophobicContact CB-CD1 4.42Å; A472-L680 HydrophobicContact CB-CD2 4Å; A472-L680 HydrophobicContact CB-CG 4.01Å |
| 473 | R | 98.1 | Very high | 97.4 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 33% | 0.328 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.2 | -70.1 | 172.6 | 77.2 | -98.7 | 0.9 | 111.5 | L426 A429 E469 I470 R471 Q475 I476 V477 | L426-R473 HydrophobicContact CD2-CB 3.72Å; L426-R473 HydrophobicContact CD2-CG 3.81Å; A429-R473 HydrophobicContact CB-CG 4.47Å; E469-R473 HydrophobicContact CG-CG 4.34Å; E469-R473 WeakPolarHBondContact O-CB 3.38Å; E469-R473 VanDerWaalsContact O-CG 3.26Å; E469-R473 WeakPolarHBondContact O-CG 3.31Å; E469-R473 PolarHBondContact O-N 3.37Å; I470-R473 PolarHBondContact O-N 3.38Å; R471-R473 VanDerWaalsContact C-N 3.35Å; R473-Q475 VanDerWaalsContact C-N 3.29Å; R473-Q475 PolarHBondContact O-N 2.81Å; R473-I476 WeakPolarHBondContact O-CB 3.35Å; R473-I476 PolarHBondContact O-N 2.93Å; R473-I476 VanDerWaalsContact O-N 3.15Å; R473-V477 WeakPolarHBondContact O-CG2 3.21Å; R473-V477 PolarHBondContact O-N 3.29Å |
| 474 | D | 97.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.9 | -66.8 | -18.4 | 0 | 0 | 0 | 111.6 | I470 R471 V477 L478 | I470-D474 PolarHBondContact O-N 2.82Å; R471-D474 PolarHBondContact O-N 2.68Å; D474-V477 PolarHBondContact O-N 2.77Å; D474-L478 WeakPolarHBondContact O-CB 3.44Å; D474-L478 PolarHBondContact O-N 3.03Å |
| 475 | Q | 97.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 175.6 | -65.3 | -52.3 | -60.9 | 0 | 0 | 113 | R471 A472 R473 V477 L478 L479 L675 M679 | R471-Q475 WeakPolarHBondContact O-CG 3.5Å; R471-Q475 PolarHBondContact O-N 3.44Å; R471-Q475 VanDerWaalsContact O-N 3.12Å; A472-Q475 PolarHBondContact O-N 2.87Å; R473-Q475 VanDerWaalsContact C-N 3.29Å; R473-Q475 PolarHBondContact O-N 2.81Å; Q475-V477 VanDerWaalsContact C-N 3.35Å; Q475-L478 PolarHBondContact O-N 2.75Å; Q475-L479 WeakPolarHBondContact O-CG 3.13Å; Q475-L479 PolarHBondContact O-N 3.12Å; Q475-L675 HydrophobicContact CB-CD1 3.85Å; Q475-L675 HydrophobicContact CB-CD2 3.71Å; Q475-L675 HydrophobicContact CB-CG 4.29Å; Q475-L675 HydrophobicContact CG-CD1 4.47Å; Q475-M679 HydrophobicContact CG-CE 3.87Å |
| 476 | I | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 172.9 | -74.9 | 170.7 | 0 | 0 | 0 | 110.7 | L426 A429 A472 R473 L479 V480 V672 L675 L676 | L426-I476 HydrophobicContact CD2-CB 4.32Å; L426-I476 HydrophobicContact CD2-CG2 4.06Å; L426-I476 HydrophobicContact CG-CG2 4.28Å; A429-I476 HydrophobicContact CB-CD1 3.78Å; A472-I476 WeakPolarHBondContact O-CG1 3.44Å; A472-I476 PolarHBondContact O-N 2.99Å; R473-I476 WeakPolarHBondContact O-CB 3.35Å; R473-I476 PolarHBondContact O-N 2.93Å; R473-I476 VanDerWaalsContact O-N 3.15Å; I476-L479 WeakPolarHBondContact O-CB 3.21Å; I476-L479 PolarHBondContact O-N 3.45Å; I476-V480 PolarHBondContact O-N 2.85Å; I476-V672 HydrophobicContact CD1-CG1 4.47Å; I476-L675 HydrophobicContact CB-CD2 4.44Å; I476-L675 HydrophobicContact CG1-CD2 3.56Å; I476-L676 HydrophobicContact CD1-CD2 3.95Å; I476-L676 HydrophobicContact CD1-CG 4.3Å |
| 477 | V | 97.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L426 R473 D474 Q475 L479 V480 D481 | L426-V477 HydrophobicContact CD1-CG2 4.35Å; L426-V477 HydrophobicContact CD2-CG2 4.31Å; R473-V477 WeakPolarHBondContact O-CG2 3.21Å; R473-V477 PolarHBondContact O-N 3.29Å; D474-V477 PolarHBondContact O-N 2.77Å; Q475-V477 VanDerWaalsContact C-N 3.35Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.42Å; V477-V480 PolarHBondContact O-N 3.23Å; V477-V480 VanDerWaalsContact O-N 3.08Å; V477-D481 PolarHBondContact O-N 2.75Å |
| 478 | L | 97.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 175.2 | 179.6 | 61.9 | 0 | 0 | 0 | 112.5 | D474 Q475 V480 D481 I482 | D474-L478 WeakPolarHBondContact O-CB 3.44Å; D474-L478 PolarHBondContact O-N 3.03Å; Q475-L478 PolarHBondContact O-N 2.75Å; L478-V480 VanDerWaalsContact C-N 3.28Å; L478-V480 PolarHBondContact O-N 2.86Å; L478-D481 PolarHBondContact O-N 3.23Å; L478-I482 HydrophobicContact CD1-CD1 4.31Å; L478-I482 HydrophobicContact CD1-CG1 4.21Å; L478-I482 HydrophobicContact CG-CD1 3.99Å; L478-I482 HydrophobicContact CG-CG1 4.37Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.22Å; L478-I482 PolarHBondContact O-N 2.81Å |
| 479 | L | 96.4 | Very high | 95.8 | Very high | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 175.2 | -77.5 | 178.4 | 0 | 0 | 0 | 111.5 | Q475 I476 V477 Q483 L671 L675 | Q475-L479 WeakPolarHBondContact O-CG 3.13Å; Q475-L479 PolarHBondContact O-N 3.12Å; I476-L479 WeakPolarHBondContact O-CB 3.21Å; I476-L479 PolarHBondContact O-N 3.45Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.42Å; L479-Q483 WeakPolarHBondContact O-CG 3.46Å; L479-Q483 PolarHBondContact O-N 2.96Å; L479-L671 HydrophobicContact CD1-CB 4.04Å; L479-L671 HydrophobicContact CD2-CD1 4.03Å; L479-L675 HydrophobicContact CD1-CB 4.48Å; L479-L675 HydrophobicContact CD1-CD2 3.73Å; L479-L675 HydrophobicContact CG-CD2 4.44Å |
| 480 | V | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | I418 K422 I476 V477 L478 I482 Q483 L484 | I418-V480 HydrophobicContact CG2-CG1 3.92Å; I418-V480 WeakPolarHBondContact O-CG1 3.46Å; K422-V480 HydrophobicContact CD-CG1 4.4Å; K422-V480 HydrophobicContact CG-CB 3.81Å; K422-V480 HydrophobicContact CG-CG1 3.8Å; K422-V480 HydrophobicContact CG-CG2 3.83Å; I476-V480 PolarHBondContact O-N 2.85Å; V477-V480 PolarHBondContact O-N 3.23Å; V477-V480 VanDerWaalsContact O-N 3.08Å; L478-V480 VanDerWaalsContact C-N 3.28Å; L478-V480 PolarHBondContact O-N 2.86Å; V480-I482 VanDerWaalsContact C-N 3.27Å; V480-I482 PolarHBondContact O-N 2.78Å; V480-Q483 WeakPolarHBondContact O-CB 3.49Å; V480-Q483 PolarHBondContact O-N 2.96Å; V480-Q483 VanDerWaalsContact O-N 3.09Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.12Å; V480-L484 PolarHBondContact O-N 3.35Å |
| 481 | D | 97.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -30.9 | 178.3 | -66.6 | -20.9 | 0 | 0 | 0 | 112.2 | K422 V477 L478 L484 S485 | K422-D481 VanDerWaalsContact CE-OD1 3.23Å; K422-D481 WeakPolarHBondContact CE-OD1 3.38Å; K422-D481 IonicContact NZ-OD1 2.74Å; K422-D481 PolarHBondContact NZ-OD1 2.85Å; V477-D481 PolarHBondContact O-N 2.75Å; L478-D481 PolarHBondContact O-N 3.23Å; D481-L484 PolarHBondContact O-N 3.22Å; D481-S485 WeakPolarHBondContact O-CB 3.33Å; D481-S485 PolarHBondContact O-N 2.86Å; D481-S485 PolarHBondContact O-OG 3.18Å |
| 482 | I | 96.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 170.8 | -70.7 | 164.4 | 0 | 0 | 0 | 110.5 | L478 V480 L484 S485 | L478-I482 HydrophobicContact CD1-CD1 4.31Å; L478-I482 HydrophobicContact CD1-CG1 4.21Å; L478-I482 HydrophobicContact CG-CD1 3.99Å; L478-I482 HydrophobicContact CG-CG1 4.37Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.22Å; L478-I482 PolarHBondContact O-N 2.81Å; V480-I482 VanDerWaalsContact C-N 3.27Å; V480-I482 PolarHBondContact O-N 2.78Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 2.87Å; I482-S485 PolarHBondContact O-N 3.26Å; I482-S485 VanDerWaalsContact O-N 3.15Å |
| 483 | Q | 94.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 175.9 | -61.6 | -63.7 | -27.4 | 0 | 0 | 111.8 | I418 L479 V480 V664 | I418-Q483 HydrophobicContact CG2-CB 3.85Å; L479-Q483 WeakPolarHBondContact O-CG 3.46Å; L479-Q483 PolarHBondContact O-N 2.96Å; V480-Q483 WeakPolarHBondContact O-CB 3.49Å; V480-Q483 PolarHBondContact O-N 2.96Å; V480-Q483 VanDerWaalsContact O-N 3.09Å; Q483-V664 HydrophobicContact CB-CG1 4.14Å; Q483-V664 HydrophobicContact CG-CG1 3.96Å |
| 484 | L | 94.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.8 | -33.5 | 173.4 | -70.2 | 170 | 0 | 0 | 0 | 112.1 | R415 I418 D419 V480 D481 I482 Y486 | R415-L484 HydrophobicContact CB-CD2 4.12Å; R415-L484 HydrophobicContact CG-CD2 4.36Å; R415-L484 PolarHBondContact NH1-O 3.29Å; R415-L484 WeakPolarHBondContact O-CD2 3.26Å; I418-L484 HydrophobicContact CB-CD2 3.77Å; I418-L484 HydrophobicContact CB-CG 4.42Å; I418-L484 HydrophobicContact CG2-CD2 3.66Å; I418-L484 HydrophobicContact CG2-CG 3.76Å; D419-L484 HydrophobicContact CB-CD1 4.25Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.45Å; V480-L484 WeakPolarHBondContact O-CG 3.12Å; V480-L484 PolarHBondContact O-N 3.35Å; D481-L484 PolarHBondContact O-N 3.22Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 2.87Å; L484-Y486 VanDerWaalsContact C-N 3.29Å; L484-Y486 PolarHBondContact O-N 3.48Å |
| 485 | S | 94.5 | Very high | 92.3 | Very high | 95 Ų | 95 | 64.3 Ų | 64.3 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.4 | -30.1 | -172.9 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | D481 I482 | D481-S485 WeakPolarHBondContact O-CB 3.33Å; D481-S485 PolarHBondContact O-N 2.86Å; D481-S485 PolarHBondContact O-OG 3.18Å; I482-S485 PolarHBondContact O-N 3.26Å; I482-S485 VanDerWaalsContact O-N 3.15Å |
| 486 | Y | 93.1 | Very high | 91.3 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | trans | -149.1 | 122 | -179.7 | -179.3 | -108.5 | 0 | 0 | 0 | 111.9 | L484 N488 | L484-Y486 VanDerWaalsContact C-N 3.29Å; L484-Y486 PolarHBondContact O-N 3.48Å; Y486-N488 HydrophobicContact CD1-CB 4.3Å; Y486-N488 HydrophobicContact CE1-CB 3.9Å | ||
| 487 | M | 90.3 | Very high | 90 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | trans | -92 | 110.4 | 174.3 | -66.3 | -173.6 | -54.2 | 0 | 0 | 110.7 | E411 T414 R415 T489 Y660 | E411-M487 HydrophobicContact CB-CE 3.57Å; E411-M487 HydrophobicContact CG-CE 3.36Å; E411-M487 HydrophobicContact CG-SD 4.34Å; T414-M487 HydrophobicContact CG2-SD 4.11Å; R415-M487 HydrophobicContact CG-SD 4.29Å; M487-T489 PolarHBondContact O-N 3.44Å; M487-T489 VanDerWaalsContact O-N 3.11Å; M487-Y660 VanDerWaalsContact CA-OH 3.25Å; M487-Y660 WeakPolarHBondContact CA-OH 3.2Å; M487-Y660 HydrophobicContact CG-CE1 4.37Å | ||
| 488 | N | 90.7 | Very high | 88.7 | Confident | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -84.9 | 81.4 | -178.9 | -176 | 13.5 | 0 | 0 | 0 | 111.4 | Y486 N490 H491 Y660 | Y486-N488 HydrophobicContact CD1-CB 4.3Å; Y486-N488 HydrophobicContact CE1-CB 3.9Å; N488-N490 PolarHBondContact O-N 2.96Å; N488-N490 PolarHBondContact OD1-N 3.31Å; N488-H491 WeakPolarHBondContact O-CB 3.31Å; N488-H491 PolarHBondContact O-N 3.49Å; N488-H491 VanDerWaalsContact O-N 3.14Å; N488-H491 PolarHBondContact OD1-N 3.43Å; N488-Y660 PolarHBondContact N-OH 2.75Å | ||
| 489 | T | 88.7 | Confident | 87.5 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -3.9 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | F410 M487 H491 F494 | F410-T489 HydrophobicContact CE1-CG2 4.06Å; M487-T489 PolarHBondContact O-N 3.44Å; M487-T489 VanDerWaalsContact O-N 3.11Å; T489-H491 VanDerWaalsContact C-N 3.33Å; T489-F494 HydrophobicContact CG2-CE1 4.11Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 VanDerWaalsContact O-CD1 3.24Å; T489-F494 WeakPolarHBondContact O-CD1 3.36Å |
| 490 | N | 87.2 | Confident | 86 | Confident | 140 Ų | 140 | 68.1 Ų | 68.1 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 9.1 | 170.3 | -66.7 | -27.6 | 0 | 0 | 0 | 112.2 | N488 | N488-N490 PolarHBondContact O-N 2.96Å; N488-N490 PolarHBondContact OD1-N 3.31Å |
| 491 | H | 87.3 | Confident | 84.4 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | trans | -62.7 | 137.5 | 177.9 | -171.2 | -74.1 | 0 | 0 | 0 | 110.9 | N488 T489 D493 F494 I663 | N488-H491 WeakPolarHBondContact O-CB 3.31Å; N488-H491 PolarHBondContact O-N 3.49Å; N488-H491 VanDerWaalsContact O-N 3.14Å; N488-H491 PolarHBondContact OD1-N 3.43Å; T489-H491 VanDerWaalsContact C-N 3.33Å; H491-D493 VanDerWaalsContact C-N 3.3Å; H491-D493 IonicContact CE1-OD2 3.29Å; H491-D493 PolarHBondContact ND1-N 3.28Å; H491-D493 PolarHBondContact O-N 2.93Å; H491-F494 HydrophobicContact CB-CB 4.24Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.15Å; H491-F494 PolarHBondContact O-N 2.82Å; H491-I663 HydrophobicContact CB-CD1 4.15Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.38Å | ||
| 492 | E | 86.9 | Confident | 82.8 | Confident | 178 Ų | 178 | 75.7 Ų | 75.7 | 83% | 0.832 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -39.4 | -175.5 | 60.3 | -177.6 | 179.3 | 0 | 0 | 113.8 | F494 | E492-F494 VanDerWaalsContact C-N 3.28Å; E492-F494 PolarHBondContact O-N 3.39Å |
| 493 | D | 85.9 | Confident | 81.1 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.6 | 178 | -68.8 | -17.2 | 0 | 0 | 0 | 113.8 | H491 I663 K666 | H491-D493 VanDerWaalsContact C-N 3.3Å; H491-D493 IonicContact CE1-OD2 3.29Å; H491-D493 PolarHBondContact ND1-N 3.28Å; H491-D493 PolarHBondContact O-N 2.93Å; D493-I663 HydrophobicContact CB-CD1 4.12Å; D493-I663 HydrophobicContact CB-CG1 3.92Å; D493-K666 IonicContact OD2-NZ 2.67Å |
| 494 | F | 88.1 | Confident | 79.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | trans | -88 | 125.9 | -179.1 | -174.5 | -115.9 | 0 | 0 | 0 | 111 | F410 T489 H491 E492 G496 L656 S659 Y660 I663 | F410-F494 HydrophobicContact CE1-CZ 4.41Å; F410-F494 HydrophobicContact CE2-CE2 4.39Å; F410-F494 HydrophobicContact CE2-CZ 4.31Å; F410-F494 HydrophobicContact CZ-CE2 4.06Å; F410-F494 AromaticContact CZ-CZ 3.83Å; F410-F494 HydrophobicContact CZ-CZ 3.83Å; T489-F494 HydrophobicContact CG2-CE1 4.11Å; T489-F494 HydrophobicContact CG2-CZ 4.48Å; T489-F494 VanDerWaalsContact O-CD1 3.24Å; T489-F494 WeakPolarHBondContact O-CD1 3.36Å; H491-F494 HydrophobicContact CB-CB 4.24Å; H491-F494 VanDerWaalsContact O-CB 3.32Å; H491-F494 WeakPolarHBondContact O-CB 3.15Å; H491-F494 PolarHBondContact O-N 2.82Å; E492-F494 VanDerWaalsContact C-N 3.28Å; E492-F494 PolarHBondContact O-N 3.39Å; F494-G496 PolarHBondContact O-N 3.4Å; F494-G496 VanDerWaalsContact O-N 3.15Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.32Å; F494-L656 WeakPolarHBondContact CE2-O 3.47Å; F494-L656 HydrophobicContact CZ-CB 4.3Å; F494-L656 HydrophobicContact CZ-CD2 3.7Å; F494-S659 WeakPolarHBondContact CD2-OG 3.41Å; F494-Y660 AromaticContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CG 4.48Å; F494-Y660 HydrophobicContact CE2-CD2 4.02Å; F494-Y660 HydrophobicContact CE2-CG 4.38Å; F494-Y660 HydrophobicContact CG-CD2 4.49Å; F494-I663 HydrophobicContact CB-CD1 3.79Å; F494-I663 HydrophobicContact CD2-CD1 4.38Å | ||
| 495 | I | 78.9 | Confident | 77.1 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | trans | -64.6 | -22.4 | -170.9 | 62.7 | 177 | 0 | 0 | 0 | 114.5 | S499 A500 N655 L656 S659 | I495-S499 WeakPolarHBondContact O-CB 3.47Å; I495-S499 PolarHBondContact O-OG 3.09Å; I495-A500 HydrophobicContact CD1-CB 3.78Å; I495-A500 HydrophobicContact CG1-CB 4.36Å; I495-N655 HydrophobicContact CD1-CB 4.14Å; I495-L656 HydrophobicContact CD1-CD2 4.5Å; I495-L656 HydrophobicContact CG1-CD2 4.21Å; I495-S659 WeakPolarHBondContact CG2-OG 3.37Å; I495-S659 PolarHBondContact N-OG 2.96Å; I495-S659 VanDerWaalsContact N-OG 3.12Å | ||
| 496 | G | 76 | Confident | 74.4 | Confident | 23 Ų | 23 | 82 Ų | 82 | 24% | 0.237 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | 68.6 | 169.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | F494 A500 L656 | F494-G496 PolarHBondContact O-N 3.4Å; F494-G496 VanDerWaalsContact O-N 3.15Å; G496-A500 WeakPolarHBondContact O-CB 3.33Å; G496-A500 PolarHBondContact O-N 3.38Å; G496-L656 WeakPolarHBondContact O-CD2 3.26Å |
| 497 | F | 71.1 | Confident | 71.5 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | -176.4 | -78.3 | -81.1 | 0 | 0 | 0 | 113.6 | P406 D407 S499 A500 E501 L656 | P406-F497 HydrophobicContact CB-CD1 4.37Å; P406-F497 HydrophobicContact CB-CE1 3.51Å; P406-F497 HydrophobicContact CB-CZ 4.18Å; P406-F497 HydrophobicContact CG-CE1 4.41Å; D407-F497 WeakPolarHBondContact OD1-CZ 3.39Å; F497-S499 PolarHBondContact O-N 3.34Å; F497-A500 PolarHBondContact O-N 3.09Å; F497-E501 PolarHBondContact O-N 3.34Å; F497-L656 HydrophobicContact CD1-CD1 3.52Å; F497-L656 HydrophobicContact CE1-CD1 3.27Å; F497-L656 HydrophobicContact CG-CD1 4.34Å; F497-L656 HydrophobicContact CZ-CD1 3.95Å |
| 498 | E | 70.9 | Confident | 68.8 | Low | 155 Ų | 155 | 83.1 Ų | 83.1 | 72% | 0.724 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | -176.8 | -66.2 | 179.5 | 174.5 | 0 | 0 | 112.1 | E501 Q502 | E498-E501 PolarHBondContact O-N 2.88Å; E498-Q502 WeakPolarHBondContact O-CG 3.47Å; E498-Q502 PolarHBondContact O-N 3.2Å; E498-Q502 VanDerWaalsContact O-N 3.15Å |
| 499 | S | 72.1 | Confident | 65.9 | Low | 49 Ų | 49 | 89.4 Ų | 89.4 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71 | -35.5 | 177.7 | -46.6 | 0 | 0 | 0 | 0 | 112.1 | I495 F497 E501 Q502 Q503 | I495-S499 WeakPolarHBondContact O-CB 3.47Å; I495-S499 PolarHBondContact O-OG 3.09Å; F497-S499 PolarHBondContact O-N 3.34Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-Q502 PolarHBondContact O-N 2.94Å; S499-Q503 WeakPolarHBondContact O-CB 3.38Å; S499-Q503 WeakPolarHBondContact O-CG 3.49Å; S499-Q503 PolarHBondContact O-N 3.42Å |
| 500 | A | 64.9 | Low | 63.1 | Low | 0 Ų | 0 | 94.4 Ų | 94.4 | 0% | 0 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I495 G496 F497 S504 I652 N655 L656 | I495-A500 HydrophobicContact CD1-CB 3.78Å; I495-A500 HydrophobicContact CG1-CB 4.36Å; G496-A500 WeakPolarHBondContact O-CB 3.33Å; G496-A500 PolarHBondContact O-N 3.38Å; F497-A500 PolarHBondContact O-N 3.09Å; A500-S504 PolarHBondContact O-N 2.92Å; A500-I652 HydrophobicContact CB-CG2 4.25Å; A500-N655 HydrophobicContact CB-CB 4.06Å; A500-N655 PolarHBondContact O-ND2 3Å; A500-L656 HydrophobicContact CB-CD2 3.59Å; A500-L656 HydrophobicContact CB-CG 3.74Å |
| 501 | E | 63.3 | Low | 60.6 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70 | -41 | 174.2 | -168 | 173.1 | -175.3 | 0 | 0 | 111.7 | F497 E498 S499 S504 R648 I652 | F497-E501 PolarHBondContact O-N 3.34Å; E498-E501 PolarHBondContact O-N 2.88Å; S499-E501 VanDerWaalsContact C-N 3.33Å; E501-S504 WeakPolarHBondContact O-CB 3.39Å; E501-S504 PolarHBondContact O-N 3.3Å; E501-S504 PolarHBondContact O-OG 3.42Å; E501-R648 IonicContact OE1-CZ 3.32Å; E501-R648 VanDerWaalsContact OE1-CZ 3.32Å; E501-R648 IonicContact OE1-NH1 3.61Å; E501-R648 IonicContact OE1-NH2 2.67Å; E501-R648 PolarHBondContact OE1-NH2 3.43Å; E501-I652 HydrophobicContact CB-CD1 4.29Å; E501-I652 HydrophobicContact CG-CD1 4.01Å |
| 502 | Q | 63 | Low | 58.2 | Low | 132 Ų | 132 | 97.7 Ų | 97.7 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 174.5 | -70.1 | 172.9 | 13.4 | 0 | 0 | 112.7 | E498 S499 S504 S505 | E498-Q502 WeakPolarHBondContact O-CG 3.47Å; E498-Q502 PolarHBondContact O-N 3.2Å; E498-Q502 VanDerWaalsContact O-N 3.15Å; S499-Q502 PolarHBondContact O-N 2.94Å; Q502-S504 VanDerWaalsContact C-N 3.27Å; Q502-S504 PolarHBondContact O-N 3Å; Q502-S505 PolarHBondContact O-N 3.05Å; Q502-S505 PolarHBondContact O-OG 2.95Å |
| 503 | Q | 60.4 | Low | 56.2 | Low | 91 Ų | 91 | 92 Ų | 92 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -24.6 | 175.5 | -76.2 | 179 | 2.5 | 0 | 0 | 113 | S499 S505 E506 | S499-Q503 WeakPolarHBondContact O-CB 3.38Å; S499-Q503 WeakPolarHBondContact O-CG 3.49Å; S499-Q503 PolarHBondContact O-N 3.42Å; Q503-S505 PolarHBondContact O-N 3.45Å; Q503-E506 PolarHBondContact O-N 2.93Å |
| 504 | S | 55.8 | Low | 54.7 | Low | 29 Ų | 29 | 92.9 Ų | 92.9 | 20% | 0.203 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -65.1 | -24.7 | 174.5 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | A500 E501 Q502 | A500-S504 PolarHBondContact O-N 2.92Å; E501-S504 WeakPolarHBondContact O-CB 3.39Å; E501-S504 PolarHBondContact O-N 3.3Å; E501-S504 PolarHBondContact O-OG 3.42Å; Q502-S504 VanDerWaalsContact C-N 3.27Å; Q502-S504 PolarHBondContact O-N 3Å |
| 505 | S | 51.1 | Low | 54.1 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -87.7 | -16.4 | 175.9 | 33.7 | 0 | 0 | 0 | 0 | 114.7 | Q502 Q503 | Q502-S505 PolarHBondContact O-N 3.05Å; Q502-S505 PolarHBondContact O-OG 2.95Å; Q503-S505 PolarHBondContact O-N 3.45Å |
| 506 | E | 37.7 | Very low | 54.3 | Low | 165 Ų | 165 | 101.3 Ų | 101.3 | 77% | 0.771 | 55% | 0.549 | S | S | * | . | trans | -131.9 | 77.9 | -173.1 | -67.4 | -168.1 | 160.9 | 0 | 0 | 111.5 | Q503 A508 | Q503-E506 PolarHBondContact O-N 2.93Å; E506-A508 PolarHBondContact O-N 3.09Å | ||
| 507 | V | 32.3 | Very low | 54.4 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | trans | -80.6 | 99.5 | 166.1 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 508 | A | 32.2 | Very low | 55.2 | Low | 79 Ų | 79 | 100.4 Ų | 100.4 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | trans | 154.1 | 148.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 114 | E506 | E506-A508 PolarHBondContact O-N 3.09Š| ||
| 509 | K | 30.3 | Very low | 56.2 | Low | 188 Ų | 188 | 97.2 Ų | 97.2 | 82% | 0.817 | 52% | 0.522 | S | S | * | . | trans | 95.3 | 88.9 | 158.1 | -57.4 | 171.9 | -177.5 | 170.3 | 0 | 116.7 | ||||
| 510 | N | 30.5 | Very low | 57.2 | Low | 168 Ų | 168 | 95.4 Ų | 95.4 | 90% | 0.898 | 51% | 0.511 | S | S | * | . | trans | -121.6 | 116.9 | 144.9 | -86.6 | -25.4 | 0 | 0 | 0 | 109.1 | ||||
| 511 | K | 33.5 | Very low | 58.5 | Low | 164 Ų | 164 | 100.5 Ų | 100.5 | 71% | 0.713 | 53% | 0.53 | S | S | * | . | trans | -114.1 | 118 | 176.5 | -77.6 | -171.7 | 175.5 | -170.7 | 0 | 110.2 | ||||
| 512 | P | 37.7 | Very low | 59.8 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | trans | -87.4 | 140 | 170 | 31.4 | -27.9 | 0 | 0 | 0 | 111.6 | T543 | P512-T543 PolarHBondContact O-OG1 3.01Š| ||
| 513 | G | 44.2 | Very low | 61 | Low | 58 Ų | 58 | 91 Ų | 91 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | trans | -58 | 161.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | K515 T543 | G513-K515 PolarHBondContact O-N 2.66Å; G513-T543 PolarHBondContact O-OG1 2.85Å; G513-T543 VanDerWaalsContact O-OG1 3.04Å | ||
| 514 | N | 55 | Low | 62.3 | Low | 103 Ų | 103 | 87 Ų | 87 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | trans | -68.7 | 75.5 | -167.2 | -158 | 4.4 | 0 | 0 | 0 | 113.8 | N542 | N514-N542 WeakPolarHBondContact OD1-CB 3.45Å; N514-N542 PolarHBondContact OD1-ND2 3.45Å | ||
| 515 | K | 75.2 | Confident | 63.4 | Low | 165 Ų | 165 | 87.7 Ų | 87.7 | 72% | 0.717 | 47% | 0.469 | S | S | * | . | trans | -97.4 | 140.9 | 169.9 | -75.8 | -175.9 | 178.7 | 178.6 | 0 | 110.8 | G513 I517 N542 T543 | G513-K515 PolarHBondContact O-N 2.66Å; K515-I517 PolarHBondContact O-N 2.61Å; K515-N542 VanDerWaalsContact O-CA 3.29Å; K515-N542 WeakPolarHBondContact O-CA 3.39Å; K515-N542 WeakPolarHBondContact O-CB 3.25Å; K515-T543 PolarHBondContact O-N 3.42Å | ||
| 516 | V | 83.6 | Confident | 64.5 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 46% | 0.461 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.4 | 171.1 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | K519 V540 N542 | V516-K519 HydrophobicContact CG1-CD 4.38Å; V516-K519 HydrophobicContact CG1-CG 3.79Å; V516-V540 HydrophobicContact CG1-CG1 3.91Å; V516-V540 HydrophobicContact CG2-CG1 4.27Å; V516-N542 WeakPolarHBondContact CA-OD1 3.4Å; V516-N542 WeakPolarHBondContact CG2-OD1 3.29Å |
| 517 | I | 77.7 | Confident | 65.8 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 19% | 0.185 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -39.4 | -179.6 | -63.5 | 171.2 | 0 | 0 | 0 | 110.8 | K515 L541 T543 S615 R618 A619 | K515-I517 PolarHBondContact O-N 2.61Å; I517-L541 WeakPolarHBondContact CA-O 3.24Å; I517-L541 HydrophobicContact CB-CG 4.4Å; I517-L541 HydrophobicContact CG2-CD2 4.4Å; I517-L541 PolarHBondContact N-O 3.18Å; I517-T543 HydrophobicContact CD1-CG2 3.89Å; I517-T543 HydrophobicContact CG1-CG2 4.35Å; I517-S615 WeakPolarHBondContact CG2-O 3.24Å; I517-R618 HydrophobicContact CG2-CB 3.98Å; I517-A619 HydrophobicContact CD1-CB 3.36Å |
| 518 | R | 87.7 | Confident | 67 | Low | 52 Ų | 52 | 75.6 Ų | 75.6 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 150.3 | 179.1 | -176.6 | 164.2 | -176.5 | 142.4 | -0.7 | 112 | L541 S611 W612 S615 | R518-L541 HydrophobicContact CB-CB 4.46Å; R518-L541 PolarHBondContact N-O 3.05Å; R518-L541 VanDerWaalsContact N-O 3.16Å; R518-L541 PolarHBondContact O-N 2.88Å; R518-S611 PolarHBondContact NH1-O 3.43Å; R518-S611 PolarHBondContact NH1-OG 3.13Å; R518-S611 PolarHBondContact NH2-OG 3.48Å; R518-W612 HydrophobicContact CB-CZ3 4.23Å; R518-W612 HydrophobicContact CG-CE3 4.23Å; R518-W612 HydrophobicContact CG-CH2 3.95Å; R518-W612 HydrophobicContact CG-CZ2 4.23Å; R518-W612 HydrophobicContact CG-CZ3 3.95Å; R518-S615 WeakPolarHBondContact CD-OG 3.27Å |
| 519 | K | 92.3 | Very high | 67.8 | Low | 87 Ų | 87 | 76.8 Ų | 76.8 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.8 | 165.4 | -52.2 | -173.1 | 172.5 | -166.6 | 0 | 110.5 | V516 W538 F539 V540 E554 | V516-K519 HydrophobicContact CG1-CD 4.38Å; V516-K519 HydrophobicContact CG1-CG 3.79Å; K519-W538 HydrophobicContact CB-CH2 4.22Å; K519-W538 HydrophobicContact CB-CZ2 3.48Å; K519-W538 VanDerWaalsContact CB-CZ2 3.48Å; K519-W538 HydrophobicContact CD-CZ2 4.2Å; K519-W538 HydrophobicContact CG-CZ2 4.48Å; K519-F539 CarbonylContact C-O 3.45Å; K519-F539 WeakPolarHBondContact CA-O 3.39Å; K519-V540 HydrophobicContact CD-CG1 4.49Å; K519-V540 HydrophobicContact CD-CG2 4.05Å; K519-V540 HydrophobicContact CG-CB 4.42Å; K519-V540 HydrophobicContact CG-CG1 4.16Å; K519-V540 HydrophobicContact CG-CG2 4Å; K519-E554 VanDerWaalsContact CD-OE1 3.29Å; K519-E554 WeakPolarHBondContact CD-OE1 3.48Å; K519-E554 WeakPolarHBondContact CE-OE1 3.39Å; K519-E554 IonicContact NZ-OE1 3.7Å; K519-E554 PolarHBondContact NZ-OE1 2.85Å; K519-E554 IonicContact NZ-OE2 3.86Å; K519-E554 PolarHBondContact NZ-OE2 2.83Å |
| 520 | G | 92.2 | Very high | 68.3 | Low | 11 Ų | 11 | 75.5 Ų | 75.5 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | 168.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | W538 F539 | G520-W538 VanDerWaalsContact CA-CZ3 3.46Å; G520-F539 PolarHBondContact N-O 3.44Å; G520-F539 PolarHBondContact O-N 3.01Å |
| 521 | W | 92.3 | Very high | 68.9 | Low | 107 Ų | 107 | 79.8 Ų | 79.8 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.2 | 176 | -64.8 | 102.5 | 0 | 0 | 0 | 111.7 | D536 F537 W538 D551 D552 | W521-D536 HydrophobicContact CE3-CB 3.95Å; W521-D536 HydrophobicContact CZ3-CB 4.47Å; W521-F537 WeakPolarHBondContact CA-O 3.45Å; W521-F537 VanDerWaalsContact CE3-C 3.42Å; W521-W538 AromaticContact CD1-CE3 3.72Å; W521-W538 AromaticContact CD1-CZ3 3.61Å; W521-W538 AromaticContact CD2-CE3 3.87Å; W521-W538 HydrophobicContact CD2-CE3 3.87Å; W521-W538 AromaticContact CE2-CE3 3.66Å; W521-W538 HydrophobicContact CE3-CB 4.42Å; W521-W538 AromaticContact CG-CE3 3.91Å; W521-W538 HydrophobicContact CG-CE3 3.91Å; W521-W538 HydrophobicContact CG-CZ3 4.2Å; W521-W538 HydrophobicContact CH2-CB 4.44Å; W521-W538 HydrophobicContact CZ2-CE3 4.28Å; W521-W538 HydrophobicContact CZ3-CB 4.29Å; W521-W538 AromaticContact NE1-CE3 3.53Å; W521-W538 AromaticContact NE1-CZ3 3.54Å; W521-D551 HydrophobicContact CH2-CB 4.5Å; W521-D552 HydrophobicContact CZ2-CB 4.15Å |
| 522 | L | 92.4 | Very high | 69.4 | Low | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150 | 166.5 | -65.5 | 167.7 | 0 | 0 | 0 | 108.6 | F537 F539 F582 L601 C602 A603 W612 | L522-F537 PolarHBondContact N-O 3.15Å; L522-F537 VanDerWaalsContact N-O 3.11Å; L522-F537 PolarHBondContact O-N 3.3Å; L522-F539 HydrophobicContact CB-CD2 3.58Å; L522-F539 HydrophobicContact CB-CE2 3.66Å; L522-F539 HydrophobicContact CB-CG 4.39Å; L522-F539 HydrophobicContact CD1-CB 4.32Å; L522-F539 HydrophobicContact CD1-CD2 4.09Å; L522-F539 HydrophobicContact CD1-CG 4.06Å; L522-F539 HydrophobicContact CG-CD2 4.19Å; L522-F539 WeakPolarHBondContact O-CE2 3.5Å; L522-F582 HydrophobicContact CD1-CZ 4.41Å; L522-L601 HydrophobicContact CB-CD2 4.3Å; L522-L601 HydrophobicContact CD1-CB 4.28Å; L522-L601 HydrophobicContact CD1-CD1 4.11Å; L522-L601 HydrophobicContact CD1-CD2 4.2Å; L522-L601 HydrophobicContact CD1-CG 4.44Å; L522-C602 WeakPolarHBondContact CA-O 3.32Å; L522-C602 VanDerWaalsContact CD2-O 3.3Å; L522-C602 WeakPolarHBondContact CD2-O 3.29Å; L522-A603 HydrophobicContact CD2-CB 3.83Å; L522-W612 HydrophobicContact CD1-CD2 3.87Å; L522-W612 HydrophobicContact CD1-CE3 4.13Å; L522-W612 HydrophobicContact CD1-CG 4.39Å; L522-W612 HydrophobicContact CD1-CH2 4.14Å; L522-W612 HydrophobicContact CD1-CZ2 3.86Å; L522-W612 HydrophobicContact CD1-CZ3 4.27Å; L522-W612 HydrophobicContact CD2-CD2 4.4Å; L522-W612 HydrophobicContact CD2-CG 4.24Å; L522-W612 HydrophobicContact CG-CD2 4.39Å; L522-W612 HydrophobicContact CG-CZ2 3.96Å |
| 523 | S | 88.1 | Confident | 70.1 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.8 | 170.1 | 19.7 | 0 | 0 | 0 | 0 | 111.7 | D536 L601 C602 | S523-D536 WeakPolarHBondContact CB-OD1 3.12Å; S523-D536 PolarHBondContact OG-OD1 2.85Å; S523-L601 WeakPolarHBondContact O-CA 3.32Å; S523-C602 PolarHBondContact N-O 3.36Å; S523-C602 PolarHBondContact O-N 3.41Å; S523-C602 WeakPolarHBondContact OG-CB 3.23Å |
| 524 | L | 86.4 | Confident | 70.8 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.8 | 168.7 | -72.9 | 172.5 | 0 | 0 | 0 | 109.6 | F537 F539 W548 L599 L601 | L524-F537 HydrophobicContact CB-CD2 4.38Å; L524-F537 HydrophobicContact CB-CE2 4.33Å; L524-F537 HydrophobicContact CD1-CD2 3.74Å; L524-F537 HydrophobicContact CD1-CE2 3.79Å; L524-F537 HydrophobicContact CG-CD2 4.05Å; L524-F537 HydrophobicContact CG-CE2 4.33Å; L524-F539 HydrophobicContact CD1-CZ 4.36Å; L524-F539 HydrophobicContact CD2-CZ 3.91Å; L524-F539 HydrophobicContact CG-CZ 3.95Å; L524-W548 HydrophobicContact CD1-CZ2 4.16Å; L524-L599 HydrophobicContact CD2-CD1 3.43Å; L524-L599 VanDerWaalsContact CD2-CD1 3.43Å; L524-L599 HydrophobicContact CD2-CD2 4.05Å; L524-L599 HydrophobicContact CD2-CG 3.65Å; L524-L601 HydrophobicContact CD2-CD2 3.69Å |
| 525 | Q | 78.2 | Confident | 71.7 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -85.8 | -53.5 | -179 | -77.5 | -155.3 | 14 | 0 | 0 | 113.6 | V527 E600 C602 | Q525-V527 VanDerWaalsContact C-N 3.32Å; Q525-V527 PolarHBondContact O-N 3.2Å; Q525-E600 HydrophobicContact CB-CB 4.11Å; Q525-E600 PolarHBondContact N-O 3.35Å; Q525-E600 VanDerWaalsContact N-O 3.09Å; Q525-C602 VanDerWaalsContact CG-SG 3.58Å; Q525-C602 PolarHBondContact NE2-SG 3.03Å |
| 526 | N | 75 | Confident | 72.3 | Confident | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2.9 | -166.4 | 65.7 | -18.4 | 0 | 0 | 0 | 114.2 | Y596 Q598 E600 | N526-Y596 WeakPolarHBondContact O-CD1 3.29Å; N526-Y596 WeakPolarHBondContact O-CE1 3.5Å; N526-Y596 PolarHBondContact O-OH 2.93Å; N526-Q598 PolarHBondContact ND2-O 2.62Å; N526-E600 HydrophobicContact CB-CB 4.39Å; N526-E600 HydrophobicContact CB-CG 4.21Å; N526-E600 PolarHBondContact OD1-N 3Å |
| 527 | V | 64 | Low | 72.7 | Confident | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 24.3 | -173.2 | -162.2 | 0 | 0 | 0 | 0 | 114 | Q525 L529 Y593 Y596 L599 | Q525-V527 VanDerWaalsContact C-N 3.32Å; Q525-V527 PolarHBondContact O-N 3.2Å; V527-L529 PolarHBondContact O-N 3.05Å; V527-L529 VanDerWaalsContact O-N 3.11Å; V527-Y593 HydrophobicContact CB-CD1 4.38Å; V527-Y593 HydrophobicContact CB-CE1 4.39Å; V527-Y593 HydrophobicContact CG1-CD1 3.25Å; V527-Y593 HydrophobicContact CG1-CE1 3.01Å; V527-Y593 HydrophobicContact CG1-CG 4.41Å; V527-Y593 HydrophobicContact CG2-CD1 4.12Å; V527-Y596 HydrophobicContact CB-CD2 4.47Å; V527-Y596 HydrophobicContact CB-CE2 4.25Å; V527-Y596 HydrophobicContact CG1-CD2 3.98Å; V527-Y596 HydrophobicContact CG1-CE2 3.73Å; V527-Y596 HydrophobicContact CG2-CD2 4.19Å; V527-Y596 HydrophobicContact CG2-CE2 4.45Å; V527-Y596 HydrophobicContact CG2-CG 4.44Å; V527-L599 HydrophobicContact CG2-CD1 3.85Å |
| 528 | T | 58.5 | Low | 73.4 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | trans | -83.4 | 91.6 | -179 | 43.6 | 0 | 0 | 0 | 0 | 112 | L530 | T528-L530 PolarHBondContact O-N 2.86Š| ||
| 529 | L | 48.5 | Very low | 73.8 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 55% | 0.55 | 35% | 0.351 | S | S | . | . | trans | -67.5 | 110.3 | 164.9 | -80.5 | 97.5 | 0 | 0 | 0 | 109.5 | V527 K594 | V527-L529 PolarHBondContact O-N 3.05Å; V527-L529 VanDerWaalsContact O-N 3.11Å; L529-K594 HydrophobicContact CD1-CD 4.36Å | ||
| 530 | L | 40.5 | Very low | 73.8 | Confident | 161 Ų | 161 | 64.1 Ų | 64.1 | 84% | 0.843 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 63.1 | 101 | 162.4 | -62.1 | 157.2 | 0 | 0 | 0 | 116.7 | T528 | T528-L530 PolarHBondContact O-N 2.86Š|
| 531 | R | 44.5 | Very low | 73.7 | Confident | 258 Ų | 258 | 63.6 Ų | 63.6 | 97% | 0.974 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 52.6 | 71.7 | 153.7 | -149.5 | 179.3 | -164.4 | 175.5 | 4.1 | 116.4 | ||
| 532 | G | 43.9 | Very low | 73.4 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | trans | 163.4 | 91.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 533 | G | 50.9 | Low | 72.6 | Confident | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | trans | 60.5 | 154.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | K535 | G533-K535 PolarHBondContact O-N 3.48Š| ||
| 534 | N | 60.8 | Low | 72.2 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | trans | -61.2 | 113.4 | 163.7 | -81.7 | 4.2 | 0 | 0 | 0 | 108.4 | ||||
| 535 | K | 73.2 | Confident | 72.4 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | trans | -96.2 | 126.7 | 172.1 | -75.6 | -175.5 | 178.2 | 177.7 | 0 | 109.6 | G533 F537 | G533-K535 PolarHBondContact O-N 3.48Å; K535-F537 HydrophobicContact CB-CE2 3.81Å; K535-F537 HydrophobicContact CB-CZ 4Å; K535-F537 WeakPolarHBondContact O-CD2 3.37Å; K535-F537 WeakPolarHBondContact O-CE2 3.47Å | ||
| 536 | D | 86.8 | Confident | 73.1 | Confident | 91 Ų | 91 | 62 Ų | 62 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.2 | 168.6 | -63.6 | -37.1 | 0 | 0 | 0 | 109.5 | W521 S523 | W521-D536 HydrophobicContact CE3-CB 3.95Å; W521-D536 HydrophobicContact CZ3-CB 4.47Å; S523-D536 WeakPolarHBondContact CB-OD1 3.12Å; S523-D536 PolarHBondContact OG-OD1 2.85Å |
| 537 | F | 91.8 | Very high | 74 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.5 | 175.1 | -64.8 | -85.2 | 0 | 0 | 0 | 109.2 | W521 L522 L524 K535 F539 W548 Y549 R558 | W521-F537 WeakPolarHBondContact CA-O 3.45Å; W521-F537 VanDerWaalsContact CE3-C 3.42Å; L522-F537 PolarHBondContact N-O 3.15Å; L522-F537 VanDerWaalsContact N-O 3.11Å; L522-F537 PolarHBondContact O-N 3.3Å; L524-F537 HydrophobicContact CB-CD2 4.38Å; L524-F537 HydrophobicContact CB-CE2 4.33Å; L524-F537 HydrophobicContact CD1-CD2 3.74Å; L524-F537 HydrophobicContact CD1-CE2 3.79Å; L524-F537 HydrophobicContact CG-CD2 4.05Å; L524-F537 HydrophobicContact CG-CE2 4.33Å; K535-F537 HydrophobicContact CB-CE2 3.81Å; K535-F537 HydrophobicContact CB-CZ 4Å; K535-F537 WeakPolarHBondContact O-CD2 3.37Å; K535-F537 WeakPolarHBondContact O-CE2 3.47Å; F537-F539 HydrophobicContact CB-CD2 4.24Å; F537-F539 HydrophobicContact CB-CE2 3.75Å; F537-F539 HydrophobicContact CB-CZ 4.49Å; F537-F539 WeakPolarHBondContact O-CD2 3.49Å; F537-W548 HydrophobicContact CB-CB 4.14Å; F537-W548 HydrophobicContact CB-CG 4.45Å; F537-W548 AromaticContact CG-CD1 4Å; F537-Y549 WeakPolarHBondContact CB-O 3.39Å; F537-Y549 WeakPolarHBondContact CD1-O 3.43Å; F537-R558 HydrophobicContact CD1-CG 4.3Å; F537-R558 HydrophobicContact CE1-CG 4.19Å |
| 538 | W | 93.3 | Very high | 75.4 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.7 | 174.2 | -177.8 | -108.8 | 0 | 0 | 0 | 109.8 | K519 G520 W521 W548 Y549 D551 D552 E554 | K519-W538 HydrophobicContact CB-CH2 4.22Å; K519-W538 HydrophobicContact CB-CZ2 3.48Å; K519-W538 VanDerWaalsContact CB-CZ2 3.48Å; K519-W538 HydrophobicContact CD-CZ2 4.2Å; K519-W538 HydrophobicContact CG-CZ2 4.48Å; G520-W538 VanDerWaalsContact CA-CZ3 3.46Å; W521-W538 AromaticContact CD1-CE3 3.72Å; W521-W538 AromaticContact CD1-CZ3 3.61Å; W521-W538 AromaticContact CD2-CE3 3.87Å; W521-W538 HydrophobicContact CD2-CE3 3.87Å; W521-W538 AromaticContact CE2-CE3 3.66Å; W521-W538 HydrophobicContact CE3-CB 4.42Å; W521-W538 AromaticContact CG-CE3 3.91Å; W521-W538 HydrophobicContact CG-CE3 3.91Å; W521-W538 HydrophobicContact CG-CZ3 4.2Å; W521-W538 HydrophobicContact CH2-CB 4.44Å; W521-W538 HydrophobicContact CZ2-CE3 4.28Å; W521-W538 HydrophobicContact CZ3-CB 4.29Å; W521-W538 AromaticContact NE1-CE3 3.53Å; W521-W538 AromaticContact NE1-CZ3 3.54Å; W538-W548 CarbonylContact O-C 3.55Å; W538-W548 WeakPolarHBondContact O-CA 3.4Å; W538-Y549 PolarHBondContact N-O 3.13Å; W538-Y549 VanDerWaalsContact N-O 3.11Å; W538-Y549 PolarHBondContact O-N 3Å; W538-D551 WeakPolarHBondContact CB-O 3.36Å; W538-D552 HydrophobicContact CD2-CB 3.72Å; W538-D552 HydrophobicContact CE3-CB 3.92Å; W538-D552 HydrophobicContact CG-CB 4.03Å; W538-D552 HydrophobicContact CZ2-CB 4.34Å; W538-D552 HydrophobicContact CZ3-CB 4.31Å; W538-E554 PolarHBondContact NE1-OE1 3.4Å |
| 539 | F | 95.5 | Very high | 77 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 139.7 | -179.6 | -76.1 | -101.1 | 0 | 0 | 0 | 111.2 | K519 G520 L522 L524 F537 L546 T547 W548 L601 W612 | K519-F539 CarbonylContact C-O 3.45Å; K519-F539 WeakPolarHBondContact CA-O 3.39Å; G520-F539 PolarHBondContact N-O 3.44Å; G520-F539 PolarHBondContact O-N 3.01Å; L522-F539 HydrophobicContact CB-CD2 3.58Å; L522-F539 HydrophobicContact CB-CE2 3.66Å; L522-F539 HydrophobicContact CB-CG 4.39Å; L522-F539 HydrophobicContact CD1-CB 4.32Å; L522-F539 HydrophobicContact CD1-CD2 4.09Å; L522-F539 HydrophobicContact CD1-CG 4.06Å; L522-F539 HydrophobicContact CG-CD2 4.19Å; L522-F539 WeakPolarHBondContact O-CE2 3.5Å; L524-F539 HydrophobicContact CD1-CZ 4.36Å; L524-F539 HydrophobicContact CD2-CZ 3.91Å; L524-F539 HydrophobicContact CG-CZ 3.95Å; F537-F539 HydrophobicContact CB-CD2 4.24Å; F537-F539 HydrophobicContact CB-CE2 3.75Å; F537-F539 HydrophobicContact CB-CZ 4.49Å; F537-F539 WeakPolarHBondContact O-CD2 3.49Å; F539-L546 HydrophobicContact CB-CD1 4.22Å; F539-L546 HydrophobicContact CD1-CD1 3.72Å; F539-L546 HydrophobicContact CD1-CD2 3.78Å; F539-L546 HydrophobicContact CD1-CG 3.7Å; F539-L546 HydrophobicContact CE1-CD2 3.91Å; F539-L546 HydrophobicContact CE1-CG 4.24Å; F539-L546 HydrophobicContact CG-CD1 4.45Å; F539-T547 CarbonylContact C-O 3.47Å; F539-T547 WeakPolarHBondContact CA-O 3.32Å; F539-W548 HydrophobicContact CD1-CB 3.65Å; F539-W548 HydrophobicContact CD1-CD2 4.42Å; F539-W548 HydrophobicContact CD1-CE3 4.03Å; F539-W548 HydrophobicContact CD1-CG 4.34Å; F539-W548 HydrophobicContact CD2-CB 4.03Å; F539-W548 HydrophobicContact CE1-CB 3.62Å; F539-W548 AromaticContact CE1-CD2 3.69Å; F539-W548 HydrophobicContact CE1-CD2 3.69Å; F539-W548 AromaticContact CE1-CE3 3.4Å; F539-W548 HydrophobicContact CE1-CE3 3.4Å; F539-W548 VanDerWaalsContact CE1-CE3 3.4Å; F539-W548 AromaticContact CE1-CG 3.83Å; F539-W548 HydrophobicContact CE1-CG 3.83Å; F539-W548 HydrophobicContact CE1-CZ3 4.18Å; F539-W548 HydrophobicContact CE2-CB 3.99Å; F539-W548 HydrophobicContact CE2-CG 4.46Å; F539-W548 HydrophobicContact CG-CB 3.88Å; F539-W548 HydrophobicContact CZ-CB 3.79Å; F539-W548 HydrophobicContact CZ-CD2 4.02Å; F539-W548 HydrophobicContact CZ-CE3 4.17Å; F539-W548 AromaticContact CZ-CG 3.89Å; F539-W548 HydrophobicContact CZ-CG 3.89Å; F539-L601 HydrophobicContact CE1-CD2 3.66Å; F539-L601 HydrophobicContact CE2-CD2 4.06Å; F539-L601 HydrophobicContact CZ-CD2 3.4Å; F539-W612 HydrophobicContact CB-CH2 3.76Å; F539-W612 HydrophobicContact CB-CZ2 4.39Å; F539-W612 HydrophobicContact CB-CZ3 4.44Å |
| 540 | V | 92.2 | Very high | 78.8 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 112.4 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | V516 K519 N542 T547 Y549 E554 | V516-V540 HydrophobicContact CG1-CG1 3.91Å; V516-V540 HydrophobicContact CG2-CG1 4.27Å; K519-V540 HydrophobicContact CD-CG1 4.49Å; K519-V540 HydrophobicContact CD-CG2 4.05Å; K519-V540 HydrophobicContact CG-CB 4.42Å; K519-V540 HydrophobicContact CG-CG1 4.16Å; K519-V540 HydrophobicContact CG-CG2 4Å; V540-N542 WeakPolarHBondContact CG1-OD1 3.3Å; V540-T547 PolarHBondContact N-O 2.69Å; V540-T547 PolarHBondContact O-N 2.89Å; V540-Y549 HydrophobicContact CB-CE2 4.12Å; V540-Y549 HydrophobicContact CG2-CD2 4.03Å; V540-Y549 HydrophobicContact CG2-CE2 3.64Å; V540-E554 HydrophobicContact CG2-CG 4.31Å |
| 541 | L | 91.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.4 | 177.9 | 176.1 | 66.7 | 0 | 0 | 0 | 109.6 | I517 R518 L546 L563 W612 S615 F616 A619 | I517-L541 WeakPolarHBondContact CA-O 3.24Å; I517-L541 HydrophobicContact CB-CG 4.4Å; I517-L541 HydrophobicContact CG2-CD2 4.4Å; I517-L541 PolarHBondContact N-O 3.18Å; R518-L541 HydrophobicContact CB-CB 4.46Å; R518-L541 PolarHBondContact N-O 3.05Å; R518-L541 VanDerWaalsContact N-O 3.16Å; R518-L541 PolarHBondContact O-N 2.88Å; L541-L546 HydrophobicContact CB-CD1 3.96Å; L541-L546 HydrophobicContact CD1-CB 4.35Å; L541-L546 HydrophobicContact CD1-CD1 4.1Å; L541-L563 HydrophobicContact CD1-CD1 3.55Å; L541-L563 HydrophobicContact CD1-CD2 4.03Å; L541-L563 HydrophobicContact CD1-CG 4.39Å; L541-W612 HydrophobicContact CB-CZ3 4.14Å; L541-S615 VanDerWaalsContact CD2-C 3.47Å; L541-S615 WeakPolarHBondContact CD2-O 3.29Å; L541-F616 HydrophobicContact CD1-CD1 3.73Å; L541-F616 HydrophobicContact CD1-CE1 3.6Å; L541-F616 HydrophobicContact CD1-CZ 4.38Å; L541-F616 HydrophobicContact CD2-CD1 3.95Å; L541-F616 HydrophobicContact CD2-CD2 4.43Å; L541-F616 HydrophobicContact CD2-CE1 4.23Å; L541-F616 HydrophobicContact CD2-CG 4.05Å; L541-F616 HydrophobicContact CG-CE1 4.5Å; L541-A619 HydrophobicContact CD1-CB 3.89Å; L541-A619 HydrophobicContact CD2-CB 4.11Å; L541-A619 HydrophobicContact CG-CB 4.08Å |
| 542 | N | 85.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 179.8 | 172.5 | -65.5 | 15.8 | 0 | 0 | 0 | 110 | N514 K515 V516 V540 E544 S545 L563 | N514-N542 WeakPolarHBondContact OD1-CB 3.45Å; N514-N542 PolarHBondContact OD1-ND2 3.45Å; K515-N542 VanDerWaalsContact O-CA 3.29Å; K515-N542 WeakPolarHBondContact O-CA 3.39Å; K515-N542 WeakPolarHBondContact O-CB 3.25Å; V516-N542 WeakPolarHBondContact CA-OD1 3.4Å; V516-N542 WeakPolarHBondContact CG2-OD1 3.29Å; V540-N542 WeakPolarHBondContact CG1-OD1 3.3Å; N542-E544 PolarHBondContact O-N 2.89Å; N542-S545 PolarHBondContact N-O 2.67Å; N542-L563 WeakPolarHBondContact O-CD1 3.41Å |
| 543 | T | 77.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -60.9 | -21 | 175 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | P512 G513 K515 I517 | P512-T543 PolarHBondContact O-OG1 3.01Å; G513-T543 PolarHBondContact O-OG1 2.85Å; G513-T543 VanDerWaalsContact O-OG1 3.04Å; K515-T543 PolarHBondContact O-N 3.42Å; I517-T543 HydrophobicContact CD1-CG2 3.89Å; I517-T543 HydrophobicContact CG1-CG2 4.35Å |
| 544 | E | 79.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -119.5 | -24 | -174 | -60.9 | -172.5 | 148.9 | 0 | 0 | 114.6 | N542 L563 | N542-E544 PolarHBondContact O-N 2.89Å; E544-L563 PolarHBondContact O-N 2.73Å |
| 545 | S | 89.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.7 | -173.5 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | N542 L561 | N542-S545 PolarHBondContact N-O 2.67Å; S545-L561 CarbonylContact C-O 3.52Å; S545-L561 WeakPolarHBondContact CA-O 3.27Å; S545-L561 WeakPolarHBondContact CB-O 3.18Å |
| 546 | L | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.3 | 162.7 | -178.4 | 72.3 | 0 | 0 | 0 | 108.1 | F539 L541 L561 L563 L584 L599 L601 F616 | F539-L546 HydrophobicContact CB-CD1 4.22Å; F539-L546 HydrophobicContact CD1-CD1 3.72Å; F539-L546 HydrophobicContact CD1-CD2 3.78Å; F539-L546 HydrophobicContact CD1-CG 3.7Å; F539-L546 HydrophobicContact CE1-CD2 3.91Å; F539-L546 HydrophobicContact CE1-CG 4.24Å; F539-L546 HydrophobicContact CG-CD1 4.45Å; L541-L546 HydrophobicContact CB-CD1 3.96Å; L541-L546 HydrophobicContact CD1-CB 4.35Å; L541-L546 HydrophobicContact CD1-CD1 4.1Å; L546-L561 HydrophobicContact CB-CB 4.39Å; L546-L561 PolarHBondContact N-O 3.33Å; L546-L561 WeakPolarHBondContact O-CB 3.4Å; L546-L561 PolarHBondContact O-N 2.87Å; L546-L563 HydrophobicContact CB-CD2 3.82Å; L546-L584 HydrophobicContact CD2-CD1 3.6Å; L546-L599 HydrophobicContact CD2-CD2 4.4Å; L546-L601 HydrophobicContact CD2-CD1 4.14Å; L546-F616 HydrophobicContact CB-CE1 4.35Å; L546-F616 HydrophobicContact CD1-CE1 4Å; L546-F616 HydrophobicContact CD1-CZ 3.7Å; L546-F616 HydrophobicContact CD2-CE1 3.97Å; L546-F616 HydrophobicContact CD2-CZ 3.68Å; L546-F616 HydrophobicContact CG-CE1 4.33Å; L546-F616 HydrophobicContact CG-CZ 4.23Å |
| 547 | T | 93.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.7 | 177.2 | -57 | 0 | 0 | 0 | 0 | 109.3 | F539 V540 Y549 K557 Y559 V560 | F539-T547 CarbonylContact C-O 3.47Å; F539-T547 WeakPolarHBondContact CA-O 3.32Å; V540-T547 PolarHBondContact N-O 2.69Å; V540-T547 PolarHBondContact O-N 2.89Å; T547-Y549 HydrophobicContact CG2-CD2 4.27Å; T547-Y549 HydrophobicContact CG2-CE1 4.27Å; T547-Y549 HydrophobicContact CG2-CE2 3.53Å; T547-K557 HydrophobicContact CG2-CD 4.06Å; T547-K557 HydrophobicContact CG2-CG 3.8Å; T547-Y559 WeakPolarHBondContact CA-O 3.34Å; T547-Y559 WeakPolarHBondContact CG2-O 3.18Å; T547-V560 HydrophobicContact CG2-CG2 4Å |
| 548 | W | 92.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.3 | 169 | 61.9 | 95.8 | 0 | 0 | 0 | 113.3 | L524 F537 W538 F539 R558 Y559 L561 Y593 L599 | L524-W548 HydrophobicContact CD1-CZ2 4.16Å; F537-W548 HydrophobicContact CB-CB 4.14Å; F537-W548 HydrophobicContact CB-CG 4.45Å; F537-W548 AromaticContact CG-CD1 4Å; W538-W548 CarbonylContact O-C 3.55Å; W538-W548 WeakPolarHBondContact O-CA 3.4Å; F539-W548 HydrophobicContact CD1-CB 3.65Å; F539-W548 HydrophobicContact CD1-CD2 4.42Å; F539-W548 HydrophobicContact CD1-CE3 4.03Å; F539-W548 HydrophobicContact CD1-CG 4.34Å; F539-W548 HydrophobicContact CD2-CB 4.03Å; F539-W548 HydrophobicContact CE1-CB 3.62Å; F539-W548 AromaticContact CE1-CD2 3.69Å; F539-W548 HydrophobicContact CE1-CD2 3.69Å; F539-W548 AromaticContact CE1-CE3 3.4Å; F539-W548 HydrophobicContact CE1-CE3 3.4Å; F539-W548 VanDerWaalsContact CE1-CE3 3.4Å; F539-W548 AromaticContact CE1-CG 3.83Å; F539-W548 HydrophobicContact CE1-CG 3.83Å; F539-W548 HydrophobicContact CE1-CZ3 4.18Å; F539-W548 HydrophobicContact CE2-CB 3.99Å; F539-W548 HydrophobicContact CE2-CG 4.46Å; F539-W548 HydrophobicContact CG-CB 3.88Å; F539-W548 HydrophobicContact CZ-CB 3.79Å; F539-W548 HydrophobicContact CZ-CD2 4.02Å; F539-W548 HydrophobicContact CZ-CE3 4.17Å; F539-W548 AromaticContact CZ-CG 3.89Å; F539-W548 HydrophobicContact CZ-CG 3.89Å; W548-R558 HydrophobicContact CG-CB 4.48Å; W548-R558 WeakPolarHBondContact O-CB 3.45Å; W548-R558 PolarHBondContact O-N 2.97Å; W548-Y559 AromaticContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CE1 4.06Å; W548-Y559 AromaticContact CH2-CG 3.79Å; W548-Y559 HydrophobicContact CH2-CG 3.79Å; W548-Y559 AromaticContact CZ2-CD1 3.75Å; W548-Y559 HydrophobicContact CZ2-CD1 3.75Å; W548-Y559 AromaticContact CZ2-CG 3.79Å; W548-Y559 HydrophobicContact CZ2-CG 3.79Å; W548-Y559 AromaticContact CZ3-CD1 3.72Å; W548-Y559 HydrophobicContact CZ3-CD1 3.72Å; W548-Y559 HydrophobicContact CZ3-CG 4.43Å; W548-Y559 PolarHBondContact N-O 3.22Å; W548-Y559 VanDerWaalsContact N-O 3.16Å; W548-L561 HydrophobicContact CZ3-CB 3.99Å; W548-Y593 AromaticContact CH2-CD2 3.87Å; W548-Y593 HydrophobicContact CH2-CD2 3.87Å; W548-Y593 HydrophobicContact CH2-CE2 4.36Å; W548-Y593 AromaticContact CZ2-CD2 3.69Å; W548-Y593 HydrophobicContact CZ2-CD2 3.69Å; W548-Y593 AromaticContact CZ2-CE2 3.74Å; W548-Y593 HydrophobicContact CZ2-CE2 3.74Å; W548-Y593 HydrophobicContact CZ2-CG 4.48Å; W548-L599 HydrophobicContact CH2-CD1 4.15Å; W548-L599 HydrophobicContact CH2-CD2 3.91Å; W548-L599 HydrophobicContact CZ3-CD2 3.84Å |
| 549 | Y | 91.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 9% | 0.09 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 159.2 | -174.6 | -59.2 | -92.9 | 0 | 0 | 0 | 109.6 | F537 W538 V540 T547 D551 E554 E556 K557 | F537-Y549 WeakPolarHBondContact CB-O 3.39Å; F537-Y549 WeakPolarHBondContact CD1-O 3.43Å; W538-Y549 PolarHBondContact N-O 3.13Å; W538-Y549 VanDerWaalsContact N-O 3.11Å; W538-Y549 PolarHBondContact O-N 3Å; V540-Y549 HydrophobicContact CB-CE2 4.12Å; V540-Y549 HydrophobicContact CG2-CD2 4.03Å; V540-Y549 HydrophobicContact CG2-CE2 3.64Å; T547-Y549 HydrophobicContact CG2-CD2 4.27Å; T547-Y549 HydrophobicContact CG2-CE1 4.27Å; T547-Y549 HydrophobicContact CG2-CE2 3.53Å; Y549-D551 VanDerWaalsContact CB-O 3.27Å; Y549-D551 WeakPolarHBondContact CB-O 3.26Å; Y549-D551 PolarHBondContact O-N 3.16Å; Y549-E554 VanDerWaalsContact CD1-C 3.46Å; Y549-E554 VanDerWaalsContact CD1-CA 3.47Å; Y549-E554 HydrophobicContact CD1-CB 4.05Å; Y549-E554 WeakPolarHBondContact CD1-O 3.4Å; Y549-E554 HydrophobicContact CD2-CB 4.32Å; Y549-E554 HydrophobicContact CD2-CG 3.9Å; Y549-E554 HydrophobicContact CE1-CB 3.99Å; Y549-E554 WeakPolarHBondContact CE1-O 3.3Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.97Å; Y549-E554 HydrophobicContact CG-CB 4.21Å; Y549-E554 HydrophobicContact CG-CG 4.18Å; Y549-E556 WeakPolarHBondContact CA-O 3.36Å; Y549-K557 HydrophobicContact CD1-CB 4.04Å; Y549-K557 HydrophobicContact CE1-CB 3.77Å; Y549-K557 HydrophobicContact CE1-CG 4.16Å |
| 550 | K | 87.5 | Confident | 87.9 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -59.2 | -36.8 | 174 | -174.6 | -172.4 | 176.2 | -173.4 | 0 | 111.8 | E556 | K550-E556 HydrophobicContact CB-CB 4.31Å; K550-E556 VanDerWaalsContact CD-OE2 3.26Å; K550-E556 WeakPolarHBondContact CD-OE2 3.34Å; K550-E556 PolarHBondContact N-O 3.07Å |
| 551 | D | 87.5 | Confident | 87.9 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -149 | 172.4 | -174.4 | 45.8 | 43.9 | 0 | 0 | 0 | 110.8 | W521 W538 Y549 E553 E554 | W521-D551 HydrophobicContact CH2-CB 4.5Å; W538-D551 WeakPolarHBondContact CB-O 3.36Å; Y549-D551 VanDerWaalsContact CB-O 3.27Å; Y549-D551 WeakPolarHBondContact CB-O 3.26Å; Y549-D551 PolarHBondContact O-N 3.16Å; D551-E553 PolarHBondContact O-N 3.41Å; D551-E554 PolarHBondContact O-N 3.33Å |
| 552 | D | 87.3 | Confident | 87.8 | Confident | 95 Ų | 95 | 63.2 Ų | 63.2 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.1 | -179.8 | 63.4 | -27.6 | 0 | 0 | 0 | 114 | W521 W538 E554 | W521-D552 HydrophobicContact CZ2-CB 4.15Å; W538-D552 HydrophobicContact CD2-CB 3.72Å; W538-D552 HydrophobicContact CE3-CB 3.92Å; W538-D552 HydrophobicContact CG-CB 4.03Å; W538-D552 HydrophobicContact CZ2-CB 4.34Å; W538-D552 HydrophobicContact CZ3-CB 4.31Å; D552-E554 PolarHBondContact O-N 2.91Å |
| 553 | E | 85.7 | Confident | 87.8 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12.3 | 170.6 | -57.9 | -163.5 | 144.6 | 0 | 0 | 112.7 | D551 K555 | D551-E553 PolarHBondContact O-N 3.41Å; E553-K555 HydrophobicContact CB-CD 4.2Å; E553-K555 HydrophobicContact CB-CG 4.07Å; E553-K555 PolarHBondContact O-N 3.39Å; E553-K555 IonicContact OE1-NZ 2.69Å; E553-K555 WeakPolarHBondContact OE2-CD 3.29Å; E553-K555 VanDerWaalsContact OE2-CE 3.24Å; E553-K555 WeakPolarHBondContact OE2-CE 3.49Å; E553-K555 IonicContact OE2-NZ 3.12Å; E553-K555 PolarHBondContact OE2-NZ 3.44Å |
| 554 | E | 86.7 | Confident | 88 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | trans | 57 | 20.5 | 177.6 | -64.3 | 174.1 | -159.7 | 0 | 0 | 114.1 | K519 W538 V540 Y549 D551 D552 | K519-E554 VanDerWaalsContact CD-OE1 3.29Å; K519-E554 WeakPolarHBondContact CD-OE1 3.48Å; K519-E554 WeakPolarHBondContact CE-OE1 3.39Å; K519-E554 IonicContact NZ-OE1 3.7Å; K519-E554 PolarHBondContact NZ-OE1 2.85Å; K519-E554 IonicContact NZ-OE2 3.86Å; K519-E554 PolarHBondContact NZ-OE2 2.83Å; W538-E554 PolarHBondContact NE1-OE1 3.4Å; V540-E554 HydrophobicContact CG2-CG 4.31Å; Y549-E554 VanDerWaalsContact CD1-C 3.46Å; Y549-E554 VanDerWaalsContact CD1-CA 3.47Å; Y549-E554 HydrophobicContact CD1-CB 4.05Å; Y549-E554 WeakPolarHBondContact CD1-O 3.4Å; Y549-E554 HydrophobicContact CD2-CB 4.32Å; Y549-E554 HydrophobicContact CD2-CG 3.9Å; Y549-E554 HydrophobicContact CE1-CB 3.99Å; Y549-E554 WeakPolarHBondContact CE1-O 3.3Å; Y549-E554 HydrophobicContact CE2-CB 4.26Å; Y549-E554 HydrophobicContact CE2-CG 3.97Å; Y549-E554 HydrophobicContact CG-CB 4.21Å; Y549-E554 HydrophobicContact CG-CG 4.18Å; D551-E554 PolarHBondContact O-N 3.33Å; D552-E554 PolarHBondContact O-N 2.91Å | ||
| 555 | K | 83.7 | Confident | 88.1 | Confident | 161 Ų | 161 | 66 Ų | 66 | 70% | 0.7 | 32% | 0.324 | S | S | * | . | trans | -81.4 | -43.3 | -178 | -68 | 178.9 | -171.6 | 157 | 0 | 113.1 | E553 | E553-K555 HydrophobicContact CB-CD 4.2Å; E553-K555 HydrophobicContact CB-CG 4.07Å; E553-K555 PolarHBondContact O-N 3.39Å; E553-K555 IonicContact OE1-NZ 2.69Å; E553-K555 WeakPolarHBondContact OE2-CD 3.29Å; E553-K555 VanDerWaalsContact OE2-CE 3.24Å; E553-K555 WeakPolarHBondContact OE2-CE 3.49Å; E553-K555 IonicContact OE2-NZ 3.12Å; E553-K555 PolarHBondContact OE2-NZ 3.44Å | ||
| 556 | E | 84.5 | Confident | 88 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -105.2 | 89.6 | -176.7 | -163.7 | -173.8 | 163.3 | 0 | 0 | 110.8 | Y549 K550 R558 | Y549-E556 WeakPolarHBondContact CA-O 3.36Å; K550-E556 HydrophobicContact CB-CB 4.31Å; K550-E556 VanDerWaalsContact CD-OE2 3.26Å; K550-E556 WeakPolarHBondContact CD-OE2 3.34Å; K550-E556 PolarHBondContact N-O 3.07Å; E556-R558 PolarHBondContact O-N 3.17Å; E556-R558 IonicContact OE1-CZ 2.65Å; E556-R558 IonicContact OE1-NH1 2.77Å; E556-R558 PolarHBondContact OE1-NH1 2.66Å; E556-R558 IonicContact OE1-NH2 2.86Å; E556-R558 PolarHBondContact OE1-NH2 3.11Å; E556-R558 IonicContact OE2-CZ 3.46Å; E556-R558 IonicContact OE2-NH2 2.66Å; E556-R558 PolarHBondContact OE2-NH2 3.01Å; E556-R558 VanDerWaalsContact OE2-NH2 3.17Å |
| 557 | K | 87.5 | Confident | 87.7 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 53% | 0.53 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.4 | 177.1 | -176.2 | 177 | -73.2 | -164.7 | 0 | 110.6 | T547 Y549 V560 | T547-K557 HydrophobicContact CG2-CD 4.06Å; T547-K557 HydrophobicContact CG2-CG 3.8Å; Y549-K557 HydrophobicContact CD1-CB 4.04Å; Y549-K557 HydrophobicContact CE1-CB 3.77Å; Y549-K557 HydrophobicContact CE1-CG 4.16Å; K557-V560 HydrophobicContact CD-CG2 3.58Å; K557-V560 HydrophobicContact CG-CG2 4.23Å |
| 558 | R | 87 | Confident | 87.6 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -43.7 | -179.7 | -69.9 | -72.4 | -176.9 | -147.3 | -13.4 | 112.3 | F537 W548 E556 | F537-R558 HydrophobicContact CD1-CG 4.3Å; F537-R558 HydrophobicContact CE1-CG 4.19Å; W548-R558 HydrophobicContact CG-CB 4.48Å; W548-R558 WeakPolarHBondContact O-CB 3.45Å; W548-R558 PolarHBondContact O-N 2.97Å; E556-R558 PolarHBondContact O-N 3.17Å; E556-R558 IonicContact OE1-CZ 2.65Å; E556-R558 IonicContact OE1-NH1 2.77Å; E556-R558 PolarHBondContact OE1-NH1 2.66Å; E556-R558 IonicContact OE1-NH2 2.86Å; E556-R558 PolarHBondContact OE1-NH2 3.11Å; E556-R558 IonicContact OE2-CZ 3.46Å; E556-R558 IonicContact OE2-NH2 2.66Å; E556-R558 PolarHBondContact OE2-NH2 3.01Å; E556-R558 VanDerWaalsContact OE2-NH2 3.17Å |
| 559 | Y | 90.5 | Very high | 87.4 | Confident | 80 Ų | 80 | 72.4 Ų | 72.4 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 154.3 | -179.3 | -163.3 | -104.4 | 0 | 0 | 0 | 111 | T547 W548 L561 V592 Y593 | T547-Y559 WeakPolarHBondContact CA-O 3.34Å; T547-Y559 WeakPolarHBondContact CG2-O 3.18Å; W548-Y559 AromaticContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CD1 3.24Å; W548-Y559 HydrophobicContact CH2-CE1 4.06Å; W548-Y559 AromaticContact CH2-CG 3.79Å; W548-Y559 HydrophobicContact CH2-CG 3.79Å; W548-Y559 AromaticContact CZ2-CD1 3.75Å; W548-Y559 HydrophobicContact CZ2-CD1 3.75Å; W548-Y559 AromaticContact CZ2-CG 3.79Å; W548-Y559 HydrophobicContact CZ2-CG 3.79Å; W548-Y559 AromaticContact CZ3-CD1 3.72Å; W548-Y559 HydrophobicContact CZ3-CD1 3.72Å; W548-Y559 HydrophobicContact CZ3-CG 4.43Å; W548-Y559 PolarHBondContact N-O 3.22Å; W548-Y559 VanDerWaalsContact N-O 3.16Å; Y559-L561 HydrophobicContact CD1-CB 4.14Å; Y559-L561 HydrophobicContact CE1-CB 4.04Å; Y559-L561 HydrophobicContact CE1-CD1 4.29Å; Y559-V592 PolarHBondContact OH-O 2.95Å; Y559-Y593 AromaticContact CD1-CD2 3.69Å; Y559-Y593 HydrophobicContact CD1-CD2 3.69Å; Y559-Y593 HydrophobicContact CD1-CE2 4.12Å; Y559-Y593 AromaticContact CD2-CD2 3.62Å; Y559-Y593 HydrophobicContact CD2-CD2 3.62Å; Y559-Y593 AromaticContact CD2-CE2 3.39Å; Y559-Y593 HydrophobicContact CD2-CE2 3.39Å; Y559-Y593 AromaticContact CE1-CD2 3.67Å; Y559-Y593 HydrophobicContact CE1-CD2 3.67Å; Y559-Y593 HydrophobicContact CE1-CE2 4.43Å; Y559-Y593 AromaticContact CE2-CD2 3.6Å; Y559-Y593 HydrophobicContact CE2-CD2 3.6Å; Y559-Y593 AromaticContact CE2-CE2 3.75Å; Y559-Y593 HydrophobicContact CE2-CE2 3.75Å; Y559-Y593 AromaticContact CG-CD2 3.63Å; Y559-Y593 HydrophobicContact CG-CD2 3.63Å; Y559-Y593 AromaticContact CG-CE2 3.56Å; Y559-Y593 HydrophobicContact CG-CE2 3.56Å; Y559-Y593 AromaticContact CZ-CD2 3.61Å |
| 560 | V | 90.9 | Very high | 87.1 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114.4 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | T547 K557 | T547-V560 HydrophobicContact CG2-CG2 4Å; K557-V560 HydrophobicContact CD-CG2 3.58Å; K557-V560 HydrophobicContact CG-CG2 4.23Å |
| 561 | L | 91.9 | Very high | 86.9 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.5 | 173.5 | 177.9 | 62 | 0 | 0 | 0 | 108.9 | S545 L546 W548 Y559 L566 L584 V592 L599 | S545-L561 CarbonylContact C-O 3.52Å; S545-L561 WeakPolarHBondContact CA-O 3.27Å; S545-L561 WeakPolarHBondContact CB-O 3.18Å; L546-L561 HydrophobicContact CB-CB 4.39Å; L546-L561 PolarHBondContact N-O 3.33Å; L546-L561 WeakPolarHBondContact O-CB 3.4Å; L546-L561 PolarHBondContact O-N 2.87Å; W548-L561 HydrophobicContact CZ3-CB 3.99Å; Y559-L561 HydrophobicContact CD1-CB 4.14Å; Y559-L561 HydrophobicContact CE1-CB 4.04Å; Y559-L561 HydrophobicContact CE1-CD1 4.29Å; L561-L566 HydrophobicContact CD1-CD1 3.96Å; L561-L566 HydrophobicContact CD2-CD1 3.55Å; L561-L566 HydrophobicContact CG-CD1 3.59Å; L561-L584 HydrophobicContact CD2-CD1 4.21Å; L561-V592 HydrophobicContact CD1-CG1 3.64Å; L561-V592 WeakPolarHBondContact CD1-O 3.48Å; L561-V592 HydrophobicContact CD2-CG1 3.54Å; L561-V592 HydrophobicContact CG-CG1 4.24Å; L561-L599 HydrophobicContact CD2-CD2 4.06Å |
| 562 | L | 89.5 | Confident | 85.9 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.8 | 173.5 | -63 | 177 | 0 | 0 | 0 | 109.7 | D564 L566 Y586 | L562-D564 VanDerWaalsContact C-N 3.32Å; L562-L566 WeakPolarHBondContact O-CD1 3.43Å; L562-Y586 PolarHBondContact O-OH 3.37Å |
| 563 | L | 85.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 78.9 Ų | 78.9 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | trans | -76.4 | -20.4 | -175.5 | -62.4 | -173.9 | 0 | 0 | 0 | 114.1 | L541 N542 E544 L546 G565 L566 F616 A619 V621 | L541-L563 HydrophobicContact CD1-CD1 3.55Å; L541-L563 HydrophobicContact CD1-CD2 4.03Å; L541-L563 HydrophobicContact CD1-CG 4.39Å; N542-L563 WeakPolarHBondContact O-CD1 3.41Å; E544-L563 PolarHBondContact O-N 2.73Å; L546-L563 HydrophobicContact CB-CD2 3.82Å; L563-G565 PolarHBondContact O-N 3.48Å; L563-L566 HydrophobicContact CD2-CD1 4.47Å; L563-L566 WeakPolarHBondContact O-CB 3.45Å; L563-L566 PolarHBondContact O-N 3.36Å; L563-F616 HydrophobicContact CD2-CE1 4.29Å; L563-A619 HydrophobicContact CD1-CB 3.51Å; L563-V621 HydrophobicContact CB-CG2 3.7Å; L563-V621 HydrophobicContact CD1-CG2 3.95Å; L563-V621 HydrophobicContact CD2-CG2 3.89Å; L563-V621 HydrophobicContact CG-CG2 4.01Å | ||
| 564 | D | 82.5 | Confident | 82.8 | Confident | 135 Ų | 135 | 76 Ų | 76 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 121.9 | -174.4 | -166 | 26.6 | 0 | 0 | 0 | 111 | L562 L566 Y586 | L562-D564 VanDerWaalsContact C-N 3.32Å; D564-L566 VanDerWaalsContact C-N 3.32Å; D564-L566 PolarHBondContact O-N 3.2Å; D564-Y586 WeakPolarHBondContact O-CE1 2.93Å |
| 565 | G | 81.2 | Confident | 81 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L563 P587 | L563-G565 PolarHBondContact O-N 3.48Å; G565-P587 WeakPolarHBondContact O-CD 3.46Å |
| 566 | L | 88.1 | Confident | 79.3 | Confident | 6 Ų | 6 | 85.6 Ų | 85.6 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | trans | -74.4 | 148.4 | 177.1 | -79.9 | 164.3 | 0 | 0 | 0 | 112.3 | L561 L562 L563 D564 L584 Y586 V592 V621 | L561-L566 HydrophobicContact CD1-CD1 3.96Å; L561-L566 HydrophobicContact CD2-CD1 3.55Å; L561-L566 HydrophobicContact CG-CD1 3.59Å; L562-L566 WeakPolarHBondContact O-CD1 3.43Å; L563-L566 HydrophobicContact CD2-CD1 4.47Å; L563-L566 WeakPolarHBondContact O-CB 3.45Å; L563-L566 PolarHBondContact O-N 3.36Å; D564-L566 VanDerWaalsContact C-N 3.32Å; D564-L566 PolarHBondContact O-N 3.2Å; L566-L584 HydrophobicContact CD2-CB 4.22Å; L566-Y586 HydrophobicContact CD2-CD1 4.11Å; L566-Y586 HydrophobicContact CD2-CD2 4.3Å; L566-Y586 HydrophobicContact CD2-CE1 3.97Å; L566-Y586 HydrophobicContact CD2-CE2 4.18Å; L566-Y586 HydrophobicContact CD2-CG 4.25Å; L566-Y586 HydrophobicContact CG-CD1 4.17Å; L566-Y586 HydrophobicContact CG-CE1 3.68Å; L566-V592 HydrophobicContact CD2-CG1 4.05Å; L566-V592 HydrophobicContact CD2-CG2 4.03Å; L566-V621 HydrophobicContact CB-CG1 4.01Å; L566-V621 WeakPolarHBondContact O-CG1 3.5Å | ||
| 567 | K | 88.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 27% | 0.274 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.8 | 168.8 | -63.6 | -161 | -178.9 | -174.6 | 0 | 112.2 | L584 F585 P587 Y622 A624 | K567-L584 WeakPolarHBondContact O-CA 3.39Å; K567-F585 HydrophobicContact CB-CE1 4.09Å; K567-F585 HydrophobicContact CB-CZ 4.28Å; K567-F585 PolarHBondContact N-O 2.94Å; K567-F585 WeakPolarHBondContact O-CD1 3.48Å; K567-F585 PolarHBondContact O-N 3.24Å; K567-P587 HydrophobicContact CD-CG 3.73Å; K567-P587 HydrophobicContact CG-CG 3.8Å; K567-Y622 CarbonylContact C-O 3.57Å; K567-Y622 WeakPolarHBondContact CA-O 3.44Å; K567-Y622 WeakPolarHBondContact CB-O 3.49Å; K567-A624 HydrophobicContact CB-CB 4Å; K567-A624 HydrophobicContact CD-CB 4.46Å |
| 568 | I | 89.9 | Confident | 76.6 | Confident | 5 Ų | 5 | 87.2 Ų | 87.2 | 3% | 0.026 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.5 | 178.1 | -43.8 | 179.1 | 0 | 0 | 0 | 110.7 | F582 A583 L584 K613 F616 V621 Y622 P623 A624 | I568-F582 HydrophobicContact CG2-CB 4.17Å; I568-F582 HydrophobicContact CG2-CD2 3.72Å; I568-F582 HydrophobicContact CG2-CG 4.31Å; I568-A583 CarbonylContact C-O 3.6Å; I568-A583 WeakPolarHBondContact CA-O 3.21Å; I568-L584 HydrophobicContact CB-CD2 4.47Å; I568-L584 HydrophobicContact CG1-CD2 3.86Å; I568-K613 HydrophobicContact CD1-CB 4.49Å; I568-K613 HydrophobicContact CG2-CG 4.26Å; I568-F616 HydrophobicContact CD1-CB 3.31Å; I568-F616 HydrophobicContact CD1-CD2 4.32Å; I568-F616 HydrophobicContact CD1-CG 3.98Å; I568-F616 HydrophobicContact CG1-CB 4.31Å; I568-V621 HydrophobicContact CD1-CG1 4.29Å; I568-V621 HydrophobicContact CG1-CB 4.47Å; I568-V621 HydrophobicContact CG1-CG1 3.63Å; I568-Y622 PolarHBondContact N-O 3.41Å; I568-P623 CarbonylContact O-C 3.59Å; I568-P623 WeakPolarHBondContact O-CA 3.48Å; I568-A624 PolarHBondContact O-N 2.89Å |
| 569 | R | 88.9 | Confident | 75.9 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.7 | 164.9 | 69.3 | 178.4 | 82 | 168.7 | 9.5 | 111.3 | F582 A583 F585 A624 | R569-F582 WeakPolarHBondContact O-CA 3.4Å; R569-A583 HydrophobicContact CG-CB 3.79Å; R569-A583 PolarHBondContact N-O 3.47Å; R569-A583 PolarHBondContact O-N 3.28Å; R569-F585 HydrophobicContact CB-CD1 4.44Å; R569-F585 HydrophobicContact CB-CE1 3.82Å; R569-F585 HydrophobicContact CG-CD1 4.13Å; R569-F585 HydrophobicContact CG-CE1 3.96Å; R569-F585 VanDerWaalsContact NE-CD1 3.26Å; R569-A624 HydrophobicContact CB-CB 4.07Å |
| 570 | D | 86.2 | Confident | 75.7 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 55% | 0.551 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.3 | 166.4 | -66.7 | -19.5 | 0 | 0 | 0 | 109.6 | K613 | D570-K613 WeakPolarHBondContact OD1-CE 3.32Å; D570-K613 IonicContact OD1-NZ 3.96Å; D570-K613 PolarHBondContact OD1-NZ 3.39Å; D570-K613 IonicContact OD2-NZ 3Å |
| 571 | I | 83 | Confident | 75.6 | Confident | 45 Ų | 45 | 84 Ų | 84 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 117 | 171.7 | -61.5 | 171.6 | 0 | 0 | 0 | 106.8 | T573 A581 A583 E600 | I571-T573 PolarHBondContact O-N 3.48Å; I571-A581 HydrophobicContact CB-CB 4.2Å; I571-A581 HydrophobicContact CD1-CB 3.91Å; I571-A583 HydrophobicContact CD1-CB 3.9Å; I571-A583 HydrophobicContact CG1-CB 3.84Å; I571-E600 HydrophobicContact CD1-CB 3.69Å; I571-E600 HydrophobicContact CD1-CG 3.52Å |
| 572 | E | 65.9 | Low | 75.6 | Confident | 178 Ų | 178 | 83.8 Ų | 83.8 | 83% | 0.832 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 120.2 | 175.5 | -68.5 | -179.2 | 179.2 | 0 | 0 | 109.6 | G574 | E572-G574 PolarHBondContact O-N 2.91Š|
| 573 | T | 56 | Low | 75.7 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | trans | -69.3 | 111.4 | 179.1 | 44 | 0 | 0 | 0 | 0 | 110.1 | I571 K579 | I571-T573 PolarHBondContact O-N 3.48Å; T573-K579 WeakPolarHBondContact CG2-O 3.26Å | ||
| 574 | G | 52 | Low | 76.1 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | trans | -63.9 | 171.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E572 F576 | E572-G574 PolarHBondContact O-N 2.91Å; G574-F576 PolarHBondContact O-N 3.26Å | ||
| 575 | F | 49.4 | Very low | 76.6 | Confident | 216 Ų | 216 | 72.7 Ų | 72.7 | 95% | 0.947 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -56.2 | -8 | -169.5 | -80.5 | -90.6 | 0 | 0 | 0 | 117.2 | ||
| 576 | F | 48.5 | Very low | 76.9 | Confident | 204 Ų | 204 | 72.5 Ų | 72.5 | 90% | 0.895 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -107.7 | 86 | 179.2 | -66.6 | -78.8 | 0 | 0 | 0 | 111.7 | G574 | G574-F576 PolarHBondContact O-N 3.26Š|
| 577 | G | 55 | Low | 76.5 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | trans | 80.4 | 130.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K579 | G577-K579 VanDerWaalsContact C-N 3.34Å; G577-K579 PolarHBondContact O-N 2.99Å | ||
| 578 | K | 58.9 | Low | 76.2 | Confident | 186 Ų | 186 | 77.1 Ų | 77.1 | 81% | 0.809 | 40% | 0.395 | S | S | * | . | trans | -66.9 | 89.5 | 171.4 | -71 | -178.3 | -180 | 179.1 | 0 | 109.4 | ||||
| 579 | K | 72.2 | Confident | 75.8 | Confident | 102 Ų | 102 | 80.8 Ų | 80.8 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | trans | -90.5 | 125.8 | 169.8 | -65.1 | -169.8 | -174.9 | 175.3 | 0 | 109.2 | T573 G577 A581 | T573-K579 WeakPolarHBondContact CG2-O 3.26Å; G577-K579 VanDerWaalsContact C-N 3.34Å; G577-K579 PolarHBondContact O-N 2.99Å; K579-A581 PolarHBondContact O-N 3.16Å; K579-A581 VanDerWaalsContact O-N 3.1Å | ||
| 580 | H | 86.6 | Confident | 75.6 | Confident | 65 Ų | 65 | 82.2 Ų | 82.2 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 95.4 | 178.8 | -54.5 | -67.5 | 0 | 0 | 0 | 109.1 | C602 A603 E604 S605 A606 V609 | H580-C602 WeakPolarHBondContact O-CA 2.98Å; H580-A603 PolarHBondContact O-N 3.24Å; H580-E604 PolarHBondContact CD2-O 2.89Å; H580-S605 VanDerWaalsContact CD2-C 3.4Å; H580-S605 WeakPolarHBondContact CD2-CA 3.05Å; H580-A606 PolarHBondContact CD2-N 2.8Å; H580-A606 PolarHBondContact CE1-N 2.8Å; H580-A606 WeakPolarHBondContact ND1-CA 3.13Å; H580-A606 PolarHBondContact ND1-N 2.88Å; H580-V609 HydrophobicContact CB-CG2 3.5Å; H580-V609 WeakPolarHBondContact O-CG2 3.36Å |
| 581 | A | 88.4 | Confident | 75.7 | Confident | 11 Ų | 11 | 81 Ų | 81 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 153.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I571 K579 L601 C602 | I571-A581 HydrophobicContact CB-CB 4.2Å; I571-A581 HydrophobicContact CD1-CB 3.91Å; K579-A581 PolarHBondContact O-N 3.16Å; K579-A581 VanDerWaalsContact O-N 3.1Å; A581-L601 CarbonylContact C-O 3.56Å; A581-L601 VanDerWaalsContact CA-O 3.23Å; A581-L601 WeakPolarHBondContact CA-O 3.17Å; A581-C602 WeakPolarHBondContact CB-SG 3.48Å |
| 582 | F | 91.5 | Very high | 76 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.9 | 171 | 63.8 | -83 | 0 | 0 | 0 | 109.4 | L522 I568 R569 L584 L601 V609 W612 F616 | L522-F582 HydrophobicContact CD1-CZ 4.41Å; I568-F582 HydrophobicContact CG2-CB 4.17Å; I568-F582 HydrophobicContact CG2-CD2 3.72Å; I568-F582 HydrophobicContact CG2-CG 4.31Å; R569-F582 WeakPolarHBondContact O-CA 3.4Å; F582-L584 HydrophobicContact CE2-CD2 4.32Å; F582-L601 HydrophobicContact CD1-CB 4.43Å; F582-L601 HydrophobicContact CD2-CB 4.47Å; F582-L601 HydrophobicContact CE1-CB 3.96Å; F582-L601 HydrophobicContact CE2-CB 4.02Å; F582-L601 HydrophobicContact CE2-CD1 3.66Å; F582-L601 HydrophobicContact CE2-CG 4.42Å; F582-L601 HydrophobicContact CZ-CB 3.73Å; F582-L601 HydrophobicContact CZ-CD1 3.77Å; F582-L601 HydrophobicContact CZ-CG 4.4Å; F582-L601 PolarHBondContact N-O 3.4Å; F582-L601 PolarHBondContact O-N 2.96Å; F582-V609 HydrophobicContact CD1-CB 4.5Å; F582-V609 HydrophobicContact CD1-CG1 3.86Å; F582-V609 HydrophobicContact CD1-CG2 4.28Å; F582-W612 HydrophobicContact CE1-CB 4.01Å; F582-W612 HydrophobicContact CZ-CB 3.94Å; F582-F616 AromaticContact CE2-CD2 3.93Å; F582-F616 HydrophobicContact CE2-CD2 3.93Å; F582-F616 AromaticContact CE2-CE2 3.56Å; F582-F616 HydrophobicContact CE2-CE2 3.56Å; F582-F616 HydrophobicContact CE2-CZ 4.4Å; F582-F616 HydrophobicContact CZ-CD2 4.24Å; F582-F616 AromaticContact CZ-CE2 3.7Å; F582-F616 HydrophobicContact CZ-CE2 3.7Å |
| 583 | A | 92.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I568 R569 I571 Q598 L599 E600 | I568-A583 CarbonylContact C-O 3.6Å; I568-A583 WeakPolarHBondContact CA-O 3.21Å; R569-A583 HydrophobicContact CG-CB 3.79Å; R569-A583 PolarHBondContact N-O 3.47Å; R569-A583 PolarHBondContact O-N 3.28Å; I571-A583 HydrophobicContact CD1-CB 3.9Å; I571-A583 HydrophobicContact CG1-CB 3.84Å; A583-Q598 HydrophobicContact CB-CB 4.36Å; A583-Q598 HydrophobicContact CB-CG 4.46Å; A583-L599 CarbonylContact C-O 3.36Å; A583-L599 VanDerWaalsContact CA-O 3.29Å; A583-L599 WeakPolarHBondContact CA-O 3.46Å; A583-E600 HydrophobicContact CB-CG 4.24Å |
| 584 | L | 93.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 132.9 | 166.8 | -57 | 177.5 | 0 | 0 | 0 | 109.3 | L546 L561 L566 K567 I568 F582 Q598 L599 L601 F616 V621 | L546-L584 HydrophobicContact CD2-CD1 3.6Å; L561-L584 HydrophobicContact CD2-CD1 4.21Å; L566-L584 HydrophobicContact CD2-CB 4.22Å; K567-L584 WeakPolarHBondContact O-CA 3.39Å; I568-L584 HydrophobicContact CB-CD2 4.47Å; I568-L584 HydrophobicContact CG1-CD2 3.86Å; F582-L584 HydrophobicContact CE2-CD2 4.32Å; L584-Q598 CarbonylContact O-C 3.53Å; L584-Q598 WeakPolarHBondContact O-CA 3.47Å; L584-L599 HydrophobicContact CB-CB 4.3Å; L584-L599 HydrophobicContact CD1-CD2 4.42Å; L584-L599 PolarHBondContact N-O 2.99Å; L584-L599 PolarHBondContact O-N 2.84Å; L584-L601 HydrophobicContact CD1-CD1 3.77Å; L584-L601 HydrophobicContact CG-CD1 4.11Å; L584-F616 HydrophobicContact CD1-CE1 3.74Å; L584-F616 HydrophobicContact CD1-CZ 3.76Å; L584-F616 HydrophobicContact CD2-CD1 4.29Å; L584-F616 HydrophobicContact CD2-CE1 4.15Å; L584-F616 HydrophobicContact CD2-CZ 4.33Å; L584-V621 HydrophobicContact CD2-CG1 4.25Å |
| 585 | F | 92.1 | Very high | 79.7 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156.1 | -179.9 | 74.7 | -77.2 | 0 | 0 | 0 | 112.8 | K567 R569 V592 K597 Q598 A624 | K567-F585 HydrophobicContact CB-CE1 4.09Å; K567-F585 HydrophobicContact CB-CZ 4.28Å; K567-F585 PolarHBondContact N-O 2.94Å; K567-F585 WeakPolarHBondContact O-CD1 3.48Å; K567-F585 PolarHBondContact O-N 3.24Å; R569-F585 HydrophobicContact CB-CD1 4.44Å; R569-F585 HydrophobicContact CB-CE1 3.82Å; R569-F585 HydrophobicContact CG-CD1 4.13Å; R569-F585 HydrophobicContact CG-CE1 3.96Å; R569-F585 VanDerWaalsContact NE-CD1 3.26Å; F585-V592 HydrophobicContact CB-CG2 4.47Å; F585-K597 WeakPolarHBondContact CB-O 3.46Å; F585-Q598 HydrophobicContact CB-CB 3.77Å; F585-A624 HydrophobicContact CE1-CB 3.27Å; F585-A624 HydrophobicContact CZ-CB 3.23Å |
| 586 | Y | 89.3 | Confident | 81.6 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | trans | -85.8 | 130.6 | 170.8 | -67.1 | -68.5 | 0 | 0 | 0 | 110.6 | L562 D564 L566 D588 N589 H590 V592 | L562-Y586 PolarHBondContact O-OH 3.37Å; D564-Y586 WeakPolarHBondContact O-CE1 2.93Å; L566-Y586 HydrophobicContact CD2-CD1 4.11Å; L566-Y586 HydrophobicContact CD2-CD2 4.3Å; L566-Y586 HydrophobicContact CD2-CE1 3.97Å; L566-Y586 HydrophobicContact CD2-CE2 4.18Å; L566-Y586 HydrophobicContact CD2-CG 4.25Å; L566-Y586 HydrophobicContact CG-CD1 4.17Å; L566-Y586 HydrophobicContact CG-CE1 3.68Å; Y586-D588 WeakPolarHBondContact CB-OD1 3.38Å; Y586-D588 PolarHBondContact O-N 3.34Å; Y586-N589 WeakPolarHBondContact O-CA 3.37Å; Y586-N589 PolarHBondContact O-N 3.48Å; Y586-H590 HydrophobicContact CD2-CB 4.03Å; Y586-H590 HydrophobicContact CG-CB 4.3Å; Y586-V592 HydrophobicContact CD2-CG2 3.87Å; Y586-V592 HydrophobicContact CE2-CB 4.5Å; Y586-V592 HydrophobicContact CE2-CG2 4.23Å | ||
| 587 | P | 79.8 | Confident | 83.5 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31 | 179.9 | -26 | 34.6 | 0 | 0 | 0 | 114.7 | G565 K567 N589 | G565-P587 WeakPolarHBondContact O-CD 3.46Å; K567-P587 HydrophobicContact CD-CG 3.73Å; K567-P587 HydrophobicContact CG-CG 3.8Å; P587-N589 PolarHBondContact O-N 3.4Å |
| 588 | D | 81.5 | Confident | 85.2 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.9 | 174.7 | 60.6 | 11.5 | 0 | 0 | 0 | 113.3 | Y586 H590 | Y586-D588 WeakPolarHBondContact CB-OD1 3.38Å; Y586-D588 PolarHBondContact O-N 3.34Å; D588-H590 VanDerWaalsContact CG-CG 3.5Å; D588-H590 VanDerWaalsContact CG-ND1 3.28Å; D588-H590 PolarHBondContact O-N 2.98Å; D588-H590 VanDerWaalsContact OD1-CB 3.27Å; D588-H590 WeakPolarHBondContact OD1-CB 3.31Å; D588-H590 IonicContact OD1-CD2 3.93Å; D588-H590 IonicContact OD1-CG 3.26Å; D588-H590 VanDerWaalsContact OD1-CG 3.26Å; D588-H590 PolarHBondContact OD1-N 3.34Å; D588-H590 IonicContact OD1-ND1 2.64Å; D588-H590 PolarHBondContact OD1-ND1 3.39Å; D588-H590 IonicContact OD2-CE1 3.12Å; D588-H590 PolarHBondContact OD2-CE1 2.85Å; D588-H590 IonicContact OD2-CG 3.51Å; D588-H590 IonicContact OD2-ND1 3.52Å; D588-H590 PolarHBondContact OD2-ND1 2.98Å; D588-H590 IonicContact OD2-NE2 3.91Å |
| 589 | N | 81.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | trans | 67.4 | 20.5 | 178.8 | -136.1 | 21 | 0 | 0 | 0 | 113.6 | Y586 P587 K597 | Y586-N589 WeakPolarHBondContact O-CA 3.37Å; Y586-N589 PolarHBondContact O-N 3.48Å; P587-N589 PolarHBondContact O-N 3.4Å; N589-K597 PolarHBondContact ND2-NZ 3.44Å | ||
| 590 | H | 84.3 | Confident | 87.7 | Confident | 117 Ų | 117 | 53.3 Ų | 53.3 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | trans | -62.5 | 153.4 | 167.6 | -73.1 | 162.8 | 0 | 0 | 0 | 111.8 | Y586 D588 V592 | Y586-H590 HydrophobicContact CD2-CB 4.03Å; Y586-H590 HydrophobicContact CG-CB 4.3Å; D588-H590 VanDerWaalsContact CG-CG 3.5Å; D588-H590 VanDerWaalsContact CG-ND1 3.28Å; D588-H590 PolarHBondContact O-N 2.98Å; D588-H590 VanDerWaalsContact OD1-CB 3.27Å; D588-H590 WeakPolarHBondContact OD1-CB 3.31Å; D588-H590 IonicContact OD1-CD2 3.93Å; D588-H590 IonicContact OD1-CG 3.26Å; D588-H590 VanDerWaalsContact OD1-CG 3.26Å; D588-H590 PolarHBondContact OD1-N 3.34Å; D588-H590 IonicContact OD1-ND1 2.64Å; D588-H590 PolarHBondContact OD1-ND1 3.39Å; D588-H590 IonicContact OD2-CE1 3.12Å; D588-H590 PolarHBondContact OD2-CE1 2.85Å; D588-H590 IonicContact OD2-CG 3.51Å; D588-H590 IonicContact OD2-ND1 3.52Å; D588-H590 PolarHBondContact OD2-ND1 2.98Å; D588-H590 IonicContact OD2-NE2 3.91Å; H590-V592 PolarHBondContact O-N 2.83Å | ||
| 591 | N | 88.5 | Confident | 87.9 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | trans | -70.6 | 127.9 | 178.4 | -60.7 | -19.8 | 0 | 0 | 0 | 110.3 | K594 Y596 | N591-K594 WeakPolarHBondContact CB-O 3.48Å; N591-K594 PolarHBondContact ND2-O 2.9Å; N591-K594 VanDerWaalsContact ND2-O 3.11Å; N591-Y596 CarbonylContact C-O 3.55Å; N591-Y596 WeakPolarHBondContact CA-O 3.38Å | ||
| 592 | V | 87.9 | Confident | 88 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -79 | -39.1 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | Y559 L561 L566 F585 Y586 H590 Y596 K597 L599 | Y559-V592 PolarHBondContact OH-O 2.95Å; L561-V592 HydrophobicContact CD1-CG1 3.64Å; L561-V592 WeakPolarHBondContact CD1-O 3.48Å; L561-V592 HydrophobicContact CD2-CG1 3.54Å; L561-V592 HydrophobicContact CG-CG1 4.24Å; L566-V592 HydrophobicContact CD2-CG1 4.05Å; L566-V592 HydrophobicContact CD2-CG2 4.03Å; F585-V592 HydrophobicContact CB-CG2 4.47Å; Y586-V592 HydrophobicContact CD2-CG2 3.87Å; Y586-V592 HydrophobicContact CE2-CB 4.5Å; Y586-V592 HydrophobicContact CE2-CG2 4.23Å; H590-V592 PolarHBondContact O-N 2.83Å; V592-Y596 PolarHBondContact N-O 3.23Å; V592-K597 WeakPolarHBondContact CG2-O 3.38Å; V592-L599 HydrophobicContact CG1-CB 3.89Å |
| 593 | Y | 84.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 13% | 0.125 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -148.5 | 119.3 | -178.7 | 177.6 | -89.3 | 0 | 0 | 0 | 109.5 | V527 W548 Y559 D595 Y596 | V527-Y593 HydrophobicContact CB-CD1 4.38Å; V527-Y593 HydrophobicContact CB-CE1 4.39Å; V527-Y593 HydrophobicContact CG1-CD1 3.25Å; V527-Y593 HydrophobicContact CG1-CE1 3.01Å; V527-Y593 HydrophobicContact CG1-CG 4.41Å; V527-Y593 HydrophobicContact CG2-CD1 4.12Å; W548-Y593 AromaticContact CH2-CD2 3.87Å; W548-Y593 HydrophobicContact CH2-CD2 3.87Å; W548-Y593 HydrophobicContact CH2-CE2 4.36Å; W548-Y593 AromaticContact CZ2-CD2 3.69Å; W548-Y593 HydrophobicContact CZ2-CD2 3.69Å; W548-Y593 AromaticContact CZ2-CE2 3.74Å; W548-Y593 HydrophobicContact CZ2-CE2 3.74Å; W548-Y593 HydrophobicContact CZ2-CG 4.48Å; Y559-Y593 AromaticContact CD1-CD2 3.69Å; Y559-Y593 HydrophobicContact CD1-CD2 3.69Å; Y559-Y593 HydrophobicContact CD1-CE2 4.12Å; Y559-Y593 AromaticContact CD2-CD2 3.62Å; Y559-Y593 HydrophobicContact CD2-CD2 3.62Å; Y559-Y593 AromaticContact CD2-CE2 3.39Å; Y559-Y593 HydrophobicContact CD2-CE2 3.39Å; Y559-Y593 AromaticContact CE1-CD2 3.67Å; Y559-Y593 HydrophobicContact CE1-CD2 3.67Å; Y559-Y593 HydrophobicContact CE1-CE2 4.43Å; Y559-Y593 AromaticContact CE2-CD2 3.6Å; Y559-Y593 HydrophobicContact CE2-CD2 3.6Å; Y559-Y593 AromaticContact CE2-CE2 3.75Å; Y559-Y593 HydrophobicContact CE2-CE2 3.75Å; Y559-Y593 AromaticContact CG-CD2 3.63Å; Y559-Y593 HydrophobicContact CG-CD2 3.63Å; Y559-Y593 AromaticContact CG-CE2 3.56Å; Y559-Y593 HydrophobicContact CG-CE2 3.56Å; Y559-Y593 AromaticContact CZ-CD2 3.61Å; Y593-D595 PolarHBondContact O-N 3.44Å; Y593-D595 VanDerWaalsContact O-N 3.16Å; Y593-Y596 HydrophobicContact CD1-CD2 4.13Å; Y593-Y596 PolarHBondContact N-O 3.01Å; Y593-Y596 WeakPolarHBondContact O-CB 3.34Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.34Å; Y593-Y596 PolarHBondContact O-N 2.75Å |
| 594 | K | 84.8 | Confident | 87.6 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 47% | 0.47 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -116.3 | -175.6 | -62.6 | -177.7 | 179.1 | 171.4 | 0 | 111.6 | L529 N591 | L529-K594 HydrophobicContact CD1-CD 4.36Å; N591-K594 WeakPolarHBondContact CB-O 3.48Å; N591-K594 PolarHBondContact ND2-O 2.9Å; N591-K594 VanDerWaalsContact ND2-O 3.11Å |
| 595 | D | 83.6 | Confident | 87.1 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.2 | -179.9 | -52.1 | -38.1 | 0 | 0 | 0 | 112.5 | Y593 | Y593-D595 PolarHBondContact O-N 3.44Å; Y593-D595 VanDerWaalsContact O-N 3.16Å |
| 596 | Y | 88.2 | Confident | 86.6 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 28% | 0.275 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -89.6 | 120.3 | -175.9 | -61.2 | -80.8 | 0 | 0 | 0 | 111.2 | N526 V527 N591 V592 Y593 Q598 | N526-Y596 WeakPolarHBondContact O-CD1 3.29Å; N526-Y596 WeakPolarHBondContact O-CE1 3.5Å; N526-Y596 PolarHBondContact O-OH 2.93Å; V527-Y596 HydrophobicContact CB-CD2 4.47Å; V527-Y596 HydrophobicContact CB-CE2 4.25Å; V527-Y596 HydrophobicContact CG1-CD2 3.98Å; V527-Y596 HydrophobicContact CG1-CE2 3.73Å; V527-Y596 HydrophobicContact CG2-CD2 4.19Å; V527-Y596 HydrophobicContact CG2-CE2 4.45Å; V527-Y596 HydrophobicContact CG2-CG 4.44Å; N591-Y596 CarbonylContact C-O 3.55Å; N591-Y596 WeakPolarHBondContact CA-O 3.38Å; V592-Y596 PolarHBondContact N-O 3.23Å; Y593-Y596 HydrophobicContact CD1-CD2 4.13Å; Y593-Y596 PolarHBondContact N-O 3.01Å; Y593-Y596 WeakPolarHBondContact O-CB 3.34Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.34Å; Y593-Y596 PolarHBondContact O-N 2.75Å; Y596-Q598 PolarHBondContact O-N 2.86Å |
| 597 | K | 88.6 | Confident | 86 | Confident | 106 Ų | 106 | 64 Ų | 64 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.5 | -15.7 | 177.4 | -65.7 | -176.6 | 167.8 | -168.4 | 0 | 114.6 | F585 N589 V592 | F585-K597 WeakPolarHBondContact CB-O 3.46Å; N589-K597 PolarHBondContact ND2-NZ 3.44Å; V592-K597 WeakPolarHBondContact CG2-O 3.38Å |
| 598 | Q | 90.9 | Very high | 86.2 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 155.3 | 175.9 | 68.5 | -173 | 11.1 | 0 | 0 | 110.2 | N526 A583 L584 F585 Y596 E600 | N526-Q598 PolarHBondContact ND2-O 2.62Å; A583-Q598 HydrophobicContact CB-CB 4.36Å; A583-Q598 HydrophobicContact CB-CG 4.46Å; L584-Q598 CarbonylContact O-C 3.53Å; L584-Q598 WeakPolarHBondContact O-CA 3.47Å; F585-Q598 HydrophobicContact CB-CB 3.77Å; Y596-Q598 PolarHBondContact O-N 2.86Å; Q598-E600 HydrophobicContact CG-CG 4.19Å; Q598-E600 PolarHBondContact NE2-OE1 2.92Å |
| 599 | L | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112 | 172.8 | -167.8 | 75.9 | 0 | 0 | 0 | 108.5 | L524 V527 L546 W548 L561 A583 L584 V592 L601 | L524-L599 HydrophobicContact CD2-CD1 3.43Å; L524-L599 VanDerWaalsContact CD2-CD1 3.43Å; L524-L599 HydrophobicContact CD2-CD2 4.05Å; L524-L599 HydrophobicContact CD2-CG 3.65Å; V527-L599 HydrophobicContact CG2-CD1 3.85Å; L546-L599 HydrophobicContact CD2-CD2 4.4Å; W548-L599 HydrophobicContact CH2-CD1 4.15Å; W548-L599 HydrophobicContact CH2-CD2 3.91Å; W548-L599 HydrophobicContact CZ3-CD2 3.84Å; L561-L599 HydrophobicContact CD2-CD2 4.06Å; A583-L599 CarbonylContact C-O 3.36Å; A583-L599 VanDerWaalsContact CA-O 3.29Å; A583-L599 WeakPolarHBondContact CA-O 3.46Å; L584-L599 HydrophobicContact CB-CB 4.3Å; L584-L599 HydrophobicContact CD1-CD2 4.42Å; L584-L599 PolarHBondContact N-O 2.99Å; L584-L599 PolarHBondContact O-N 2.84Å; V592-L599 HydrophobicContact CG1-CB 3.89Å; L599-L601 HydrophobicContact CD2-CD1 4.49Å; L599-L601 HydrophobicContact CD2-CD2 4.23Å; L599-L601 HydrophobicContact CD2-CG 4.43Å; L599-L601 HydrophobicContact CG-CD2 4.45Å |
| 600 | E | 91.6 | Very high | 86.3 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.8 | -178.6 | -63.7 | -179.8 | -163.4 | 0 | 0 | 110.8 | Q525 N526 I571 A583 Q598 | Q525-E600 HydrophobicContact CB-CB 4.11Å; Q525-E600 PolarHBondContact N-O 3.35Å; Q525-E600 VanDerWaalsContact N-O 3.09Å; N526-E600 HydrophobicContact CB-CB 4.39Å; N526-E600 HydrophobicContact CB-CG 4.21Å; N526-E600 PolarHBondContact OD1-N 3Å; I571-E600 HydrophobicContact CD1-CB 3.69Å; I571-E600 HydrophobicContact CD1-CG 3.52Å; A583-E600 HydrophobicContact CB-CG 4.24Å; Q598-E600 HydrophobicContact CG-CG 4.19Å; Q598-E600 PolarHBondContact NE2-OE1 2.92Å |
| 601 | L | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.2 | -175.8 | -65.2 | 171.1 | 0 | 0 | 0 | 110.4 | L522 S523 L524 F539 L546 A581 F582 L584 L599 F616 | L522-L601 HydrophobicContact CB-CD2 4.3Å; L522-L601 HydrophobicContact CD1-CB 4.28Å; L522-L601 HydrophobicContact CD1-CD1 4.11Å; L522-L601 HydrophobicContact CD1-CD2 4.2Å; L522-L601 HydrophobicContact CD1-CG 4.44Å; S523-L601 WeakPolarHBondContact O-CA 3.32Å; L524-L601 HydrophobicContact CD2-CD2 3.69Å; F539-L601 HydrophobicContact CE1-CD2 3.66Å; F539-L601 HydrophobicContact CE2-CD2 4.06Å; F539-L601 HydrophobicContact CZ-CD2 3.4Å; L546-L601 HydrophobicContact CD2-CD1 4.14Å; A581-L601 CarbonylContact C-O 3.56Å; A581-L601 VanDerWaalsContact CA-O 3.23Å; A581-L601 WeakPolarHBondContact CA-O 3.17Å; F582-L601 HydrophobicContact CD1-CB 4.43Å; F582-L601 HydrophobicContact CD2-CB 4.47Å; F582-L601 HydrophobicContact CE1-CB 3.96Å; F582-L601 HydrophobicContact CE2-CB 4.02Å; F582-L601 HydrophobicContact CE2-CD1 3.66Å; F582-L601 HydrophobicContact CE2-CG 4.42Å; F582-L601 HydrophobicContact CZ-CB 3.73Å; F582-L601 HydrophobicContact CZ-CD1 3.77Å; F582-L601 HydrophobicContact CZ-CG 4.4Å; F582-L601 PolarHBondContact N-O 3.4Å; F582-L601 PolarHBondContact O-N 2.96Å; L584-L601 HydrophobicContact CD1-CD1 3.77Å; L584-L601 HydrophobicContact CG-CD1 4.11Å; L599-L601 HydrophobicContact CD2-CD1 4.49Å; L599-L601 HydrophobicContact CD2-CD2 4.23Å; L599-L601 HydrophobicContact CD2-CG 4.43Å; L599-L601 HydrophobicContact CG-CD2 4.45Å; L601-F616 HydrophobicContact CD1-CE2 4.42Å; L601-F616 HydrophobicContact CD1-CZ 4.22Å |
| 602 | C | 90.4 | Very high | 86 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.5 | 179.2 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | L522 S523 Q525 H580 A581 | L522-C602 WeakPolarHBondContact CA-O 3.32Å; L522-C602 VanDerWaalsContact CD2-O 3.3Å; L522-C602 WeakPolarHBondContact CD2-O 3.29Å; S523-C602 PolarHBondContact N-O 3.36Å; S523-C602 PolarHBondContact O-N 3.41Å; S523-C602 WeakPolarHBondContact OG-CB 3.23Å; Q525-C602 VanDerWaalsContact CG-SG 3.58Å; Q525-C602 PolarHBondContact NE2-SG 3.03Å; H580-C602 WeakPolarHBondContact O-CA 2.98Å; A581-C602 WeakPolarHBondContact CB-SG 3.48Å |
| 603 | A | 89.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 166.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L522 H580 S605 L608 V609 | L522-A603 HydrophobicContact CD2-CB 3.83Å; H580-A603 PolarHBondContact O-N 3.24Å; A603-S605 VanDerWaalsContact C-N 3.3Å; A603-S605 PolarHBondContact O-N 2.81Å; A603-L608 HydrophobicContact CB-CB 3.7Å; A603-V609 HydrophobicContact CB-CG2 3.86Å |
| 604 | E | 84.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 48.7 Ų | 48.7 | 77% | 0.771 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -69.2 | -25.9 | -176.5 | -58.5 | 176 | 169.1 | 0 | 0 | 113.3 | H580 L608 | H580-E604 PolarHBondContact CD2-O 2.89Å; E604-L608 HydrophobicContact CB-CD1 3.99Å |
| 605 | S | 83.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -141.1 | 157.1 | -177.5 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | H580 A603 E607 L608 V609 | H580-S605 VanDerWaalsContact CD2-C 3.4Å; H580-S605 WeakPolarHBondContact CD2-CA 3.05Å; A603-S605 VanDerWaalsContact C-N 3.3Å; A603-S605 PolarHBondContact O-N 2.81Å; S605-E607 PolarHBondContact O-N 2.73Å; S605-L608 PolarHBondContact O-N 3.25Å; S605-L608 VanDerWaalsContact O-N 3.16Å; S605-L608 WeakPolarHBondContact OG-CG 3.47Å; S605-L608 PolarHBondContact OG-N 3.03Å; S605-V609 PolarHBondContact O-N 3.34Å |
| 606 | A | 81.3 | Confident | 85.1 | Confident | 50 Ų | 50 | 37 Ų | 37 | 41% | 0.413 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.7 | -36.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H580 V609 D610 | H580-A606 PolarHBondContact CD2-N 2.8Å; H580-A606 PolarHBondContact CE1-N 2.8Å; H580-A606 WeakPolarHBondContact ND1-CA 3.13Å; H580-A606 PolarHBondContact ND1-N 2.88Å; A606-V609 WeakPolarHBondContact O-CB 3.32Å; A606-V609 PolarHBondContact O-N 3.41Å; A606-D610 PolarHBondContact O-N 3.35Å |
| 607 | E | 76.6 | Confident | 84.5 | Confident | 92 Ų | 92 | 34.6 Ų | 34.6 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -39 | 177 | -177.2 | 178.9 | -157.9 | 0 | 0 | 112 | R365 S605 S611 | R365-E607 IonicContact CZ-OE1 3.15Å; R365-E607 IonicContact NH1-OE1 2.71Å; R365-E607 PolarHBondContact NH1-OE1 3.36Å; R365-E607 PolarHBondContact NH2-O 3.07Å; S605-E607 PolarHBondContact O-N 2.73Å; E607-S611 WeakPolarHBondContact O-CB 3.33Å; E607-S611 PolarHBondContact O-N 2.71Å; E607-S611 PolarHBondContact O-OG 3.13Å |
| 608 | L | 83.9 | Confident | 83.6 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 29% | 0.293 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 173.7 | -76.9 | 172.1 | 0 | 0 | 0 | 111.6 | A603 E604 S605 D610 S611 W612 | A603-L608 HydrophobicContact CB-CB 3.7Å; E604-L608 HydrophobicContact CB-CD1 3.99Å; S605-L608 PolarHBondContact O-N 3.25Å; S605-L608 VanDerWaalsContact O-N 3.16Å; S605-L608 WeakPolarHBondContact OG-CG 3.47Å; S605-L608 PolarHBondContact OG-N 3.03Å; L608-D610 PolarHBondContact O-N 3.03Å; L608-S611 WeakPolarHBondContact CA-OG 3.15Å; L608-S611 PolarHBondContact O-N 3.45Å; L608-S611 PolarHBondContact O-OG 3.47Å; L608-W612 VanDerWaalsContact O-CD1 3.27Å; L608-W612 PolarHBondContact O-N 3.09Å |
| 609 | V | 86.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.7 | -51.1 | 174 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | H580 F582 A603 S605 A606 S611 W612 K613 | H580-V609 HydrophobicContact CB-CG2 3.5Å; H580-V609 WeakPolarHBondContact O-CG2 3.36Å; F582-V609 HydrophobicContact CD1-CB 4.5Å; F582-V609 HydrophobicContact CD1-CG1 3.86Å; F582-V609 HydrophobicContact CD1-CG2 4.28Å; A603-V609 HydrophobicContact CB-CG2 3.86Å; S605-V609 PolarHBondContact O-N 3.34Å; A606-V609 WeakPolarHBondContact O-CB 3.32Å; A606-V609 PolarHBondContact O-N 3.41Å; V609-S611 VanDerWaalsContact C-N 3.27Å; V609-S611 PolarHBondContact O-N 2.92Å; V609-W612 PolarHBondContact O-N 3.46Å; V609-W612 VanDerWaalsContact O-N 3.16Å; V609-K613 HydrophobicContact CG1-CD 4.13Å; V609-K613 HydrophobicContact CG1-CG 4.48Å; V609-K613 WeakPolarHBondContact O-CG 3.44Å; V609-K613 PolarHBondContact O-N 2.92Å |
| 610 | D | 81 | Confident | 81.8 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.4 | -39.1 | -179.8 | -81.8 | -1.1 | 0 | 0 | 0 | 111.5 | R370 A606 L608 K613 A614 | R370-D610 IonicContact CZ-OD2 3.66Å; R370-D610 IonicContact NH1-OD2 3.9Å; R370-D610 PolarHBondContact NH1-OD2 3.15Å; A606-D610 PolarHBondContact O-N 3.35Å; L608-D610 PolarHBondContact O-N 3.03Å; D610-K613 PolarHBondContact O-N 3.2Å; D610-K613 IonicContact OD1-NZ 2.81Å; D610-A614 WeakPolarHBondContact O-CB 3.45Å; D610-A614 PolarHBondContact O-N 3.42Å |
| 611 | S | 78.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -32.9 | 176.9 | 76.5 | 0 | 0 | 0 | 0 | 113.6 | R518 E607 L608 V609 S615 | R518-S611 PolarHBondContact NH1-O 3.43Å; R518-S611 PolarHBondContact NH1-OG 3.13Å; R518-S611 PolarHBondContact NH2-OG 3.48Å; E607-S611 WeakPolarHBondContact O-CB 3.33Å; E607-S611 PolarHBondContact O-N 2.71Å; E607-S611 PolarHBondContact O-OG 3.13Å; L608-S611 WeakPolarHBondContact CA-OG 3.15Å; L608-S611 PolarHBondContact O-N 3.45Å; L608-S611 PolarHBondContact O-OG 3.47Å; V609-S611 VanDerWaalsContact C-N 3.27Å; V609-S611 PolarHBondContact O-N 2.92Å; S611-S615 WeakPolarHBondContact O-CB 3.45Å; S611-S615 PolarHBondContact O-N 3.47Å; S611-S615 VanDerWaalsContact O-N 3.07Å; S611-S615 PolarHBondContact O-OG 3.47Å |
| 612 | W | 87 | Confident | 80.4 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -45.1 | 171.9 | -88.9 | 107.8 | 0 | 0 | 0 | 110.7 | R518 L522 F539 L541 F582 L608 V609 A614 S615 F616 | R518-W612 HydrophobicContact CB-CZ3 4.23Å; R518-W612 HydrophobicContact CG-CE3 4.23Å; R518-W612 HydrophobicContact CG-CH2 3.95Å; R518-W612 HydrophobicContact CG-CZ2 4.23Å; R518-W612 HydrophobicContact CG-CZ3 3.95Å; L522-W612 HydrophobicContact CD1-CD2 3.87Å; L522-W612 HydrophobicContact CD1-CE3 4.13Å; L522-W612 HydrophobicContact CD1-CG 4.39Å; L522-W612 HydrophobicContact CD1-CH2 4.14Å; L522-W612 HydrophobicContact CD1-CZ2 3.86Å; L522-W612 HydrophobicContact CD1-CZ3 4.27Å; L522-W612 HydrophobicContact CD2-CD2 4.4Å; L522-W612 HydrophobicContact CD2-CG 4.24Å; L522-W612 HydrophobicContact CG-CD2 4.39Å; L522-W612 HydrophobicContact CG-CZ2 3.96Å; F539-W612 HydrophobicContact CB-CH2 3.76Å; F539-W612 HydrophobicContact CB-CZ2 4.39Å; F539-W612 HydrophobicContact CB-CZ3 4.44Å; L541-W612 HydrophobicContact CB-CZ3 4.14Å; F582-W612 HydrophobicContact CE1-CB 4.01Å; F582-W612 HydrophobicContact CZ-CB 3.94Å; L608-W612 VanDerWaalsContact O-CD1 3.27Å; L608-W612 PolarHBondContact O-N 3.09Å; V609-W612 PolarHBondContact O-N 3.46Å; V609-W612 VanDerWaalsContact O-N 3.16Å; W612-A614 VanDerWaalsContact C-N 3.34Å; W612-A614 PolarHBondContact O-N 2.87Å; W612-S615 CarbonylContact O-C 3.55Å; W612-S615 WeakPolarHBondContact O-CA 3.44Å; W612-S615 WeakPolarHBondContact O-CB 3.25Å; W612-S615 PolarHBondContact O-N 3.35Å; W612-F616 HydrophobicContact CE3-CD2 4.5Å; W612-F616 AromaticContact CE3-CE2 3.92Å; W612-F616 HydrophobicContact CE3-CE2 3.92Å; W612-F616 WeakPolarHBondContact O-CD2 3.45Å; W612-F616 PolarHBondContact O-N 3.21Å |
| 613 | K | 84.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.8 | -45.8 | 173.9 | -68.6 | 174.6 | -174.2 | 165.6 | 0 | 112 | Y373 I568 D570 V609 D610 S615 F616 L617 | Y373-K613 HydrophobicContact CE2-CB 4.18Å; I568-K613 HydrophobicContact CD1-CB 4.49Å; I568-K613 HydrophobicContact CG2-CG 4.26Å; D570-K613 WeakPolarHBondContact OD1-CE 3.32Å; D570-K613 IonicContact OD1-NZ 3.96Å; D570-K613 PolarHBondContact OD1-NZ 3.39Å; D570-K613 IonicContact OD2-NZ 3Å; V609-K613 HydrophobicContact CG1-CD 4.13Å; V609-K613 HydrophobicContact CG1-CG 4.48Å; V609-K613 WeakPolarHBondContact O-CG 3.44Å; V609-K613 PolarHBondContact O-N 2.92Å; D610-K613 PolarHBondContact O-N 3.2Å; D610-K613 IonicContact OD1-NZ 2.81Å; K613-S615 PolarHBondContact O-N 3.14Å; K613-F616 PolarHBondContact O-N 2.96Å; K613-L617 PolarHBondContact O-N 3.29Å |
| 614 | A | 74.8 | Confident | 79.1 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -34.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D610 W612 L617 R618 | D610-A614 WeakPolarHBondContact O-CB 3.45Å; D610-A614 PolarHBondContact O-N 3.42Å; W612-A614 VanDerWaalsContact C-N 3.34Å; W612-A614 PolarHBondContact O-N 2.87Å; A614-L617 WeakPolarHBondContact O-CB 3.4Å; A614-L617 PolarHBondContact O-N 3.04Å; A614-R618 WeakPolarHBondContact O-CG 3.46Å; A614-R618 PolarHBondContact O-N 3.47Å; A614-R618 VanDerWaalsContact O-N 3.12Å |
| 615 | S | 81.2 | Confident | 77.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -40.2 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | I517 R518 L541 S611 W612 K613 L617 R618 A619 | I517-S615 WeakPolarHBondContact CG2-O 3.24Å; R518-S615 WeakPolarHBondContact CD-OG 3.27Å; L541-S615 VanDerWaalsContact CD2-C 3.47Å; L541-S615 WeakPolarHBondContact CD2-O 3.29Å; S611-S615 WeakPolarHBondContact O-CB 3.45Å; S611-S615 PolarHBondContact O-N 3.47Å; S611-S615 VanDerWaalsContact O-N 3.07Å; S611-S615 PolarHBondContact O-OG 3.47Å; W612-S615 CarbonylContact O-C 3.55Å; W612-S615 WeakPolarHBondContact O-CA 3.44Å; W612-S615 WeakPolarHBondContact O-CB 3.25Å; W612-S615 PolarHBondContact O-N 3.35Å; K613-S615 PolarHBondContact O-N 3.14Å; S615-L617 VanDerWaalsContact C-N 3.3Å; S615-L617 PolarHBondContact O-N 3.22Å; S615-R618 WeakPolarHBondContact O-CB 3.17Å; S615-R618 PolarHBondContact O-N 2.94Å; S615-R618 PolarHBondContact OG-NH2 2.83Å; S615-R618 VanDerWaalsContact OG-NH2 3.11Å; S615-A619 PolarHBondContact O-N 3.33Å; S615-A619 VanDerWaalsContact O-N 3.1Å |
| 616 | F | 82.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | 171.9 | -83.7 | -70.4 | 0 | 0 | 0 | 112.3 | L541 L546 L563 I568 F582 L584 L601 W612 K613 A619 G620 V621 | L541-F616 HydrophobicContact CD1-CD1 3.73Å; L541-F616 HydrophobicContact CD1-CE1 3.6Å; L541-F616 HydrophobicContact CD1-CZ 4.38Å; L541-F616 HydrophobicContact CD2-CD1 3.95Å; L541-F616 HydrophobicContact CD2-CD2 4.43Å; L541-F616 HydrophobicContact CD2-CE1 4.23Å; L541-F616 HydrophobicContact CD2-CG 4.05Å; L541-F616 HydrophobicContact CG-CE1 4.5Å; L546-F616 HydrophobicContact CB-CE1 4.35Å; L546-F616 HydrophobicContact CD1-CE1 4Å; L546-F616 HydrophobicContact CD1-CZ 3.7Å; L546-F616 HydrophobicContact CD2-CE1 3.97Å; L546-F616 HydrophobicContact CD2-CZ 3.68Å; L546-F616 HydrophobicContact CG-CE1 4.33Å; L546-F616 HydrophobicContact CG-CZ 4.23Å; L563-F616 HydrophobicContact CD2-CE1 4.29Å; I568-F616 HydrophobicContact CD1-CB 3.31Å; I568-F616 HydrophobicContact CD1-CD2 4.32Å; I568-F616 HydrophobicContact CD1-CG 3.98Å; I568-F616 HydrophobicContact CG1-CB 4.31Å; F582-F616 AromaticContact CE2-CD2 3.93Å; F582-F616 HydrophobicContact CE2-CD2 3.93Å; F582-F616 AromaticContact CE2-CE2 3.56Å; F582-F616 HydrophobicContact CE2-CE2 3.56Å; F582-F616 HydrophobicContact CE2-CZ 4.4Å; F582-F616 HydrophobicContact CZ-CD2 4.24Å; F582-F616 AromaticContact CZ-CE2 3.7Å; F582-F616 HydrophobicContact CZ-CE2 3.7Å; L584-F616 HydrophobicContact CD1-CE1 3.74Å; L584-F616 HydrophobicContact CD1-CZ 3.76Å; L584-F616 HydrophobicContact CD2-CD1 4.29Å; L584-F616 HydrophobicContact CD2-CE1 4.15Å; L584-F616 HydrophobicContact CD2-CZ 4.33Å; L601-F616 HydrophobicContact CD1-CE2 4.42Å; L601-F616 HydrophobicContact CD1-CZ 4.22Å; W612-F616 HydrophobicContact CE3-CD2 4.5Å; W612-F616 AromaticContact CE3-CE2 3.92Å; W612-F616 HydrophobicContact CE3-CE2 3.92Å; W612-F616 WeakPolarHBondContact O-CD2 3.45Å; W612-F616 PolarHBondContact O-N 3.21Å; K613-F616 PolarHBondContact O-N 2.96Å; F616-A619 CarbonylContact O-C 3.48Å; F616-A619 VanDerWaalsContact O-CA 3.3Å; F616-A619 WeakPolarHBondContact O-CA 3.14Å; F616-A619 VanDerWaalsContact O-CB 3.27Å; F616-A619 WeakPolarHBondContact O-CB 3.37Å; F616-A619 PolarHBondContact O-N 3.3Å; F616-G620 PolarHBondContact O-N 3.43Å; F616-G620 VanDerWaalsContact O-N 3.15Å; F616-V621 CarbonylContact C-O 3.49Å; F616-V621 HydrophobicContact CB-CB 4.06Å; F616-V621 HydrophobicContact CD1-CB 4.15Å; F616-V621 HydrophobicContact CD1-CG1 4.41Å; F616-V621 HydrophobicContact CD1-CG2 4.1Å; F616-V621 PolarHBondContact O-N 2.61Å |
| 617 | L | 75.6 | Confident | 74.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 171.9 | -84.5 | 160.4 | 0 | 0 | 0 | 112.5 | Y373 K613 A614 S615 A619 G620 V621 Y622 | Y373-L617 HydrophobicContact CD2-CD1 3.24Å; Y373-L617 HydrophobicContact CE2-CD1 3.51Å; Y373-L617 HydrophobicContact CG-CD1 4.45Å; K613-L617 PolarHBondContact O-N 3.29Å; A614-L617 WeakPolarHBondContact O-CB 3.4Å; A614-L617 PolarHBondContact O-N 3.04Å; S615-L617 VanDerWaalsContact C-N 3.3Å; S615-L617 PolarHBondContact O-N 3.22Å; L617-A619 PolarHBondContact O-N 3.45Å; L617-A619 VanDerWaalsContact O-N 3.17Å; L617-G620 PolarHBondContact O-N 2.95Å; L617-V621 PolarHBondContact N-O 3.36Å; L617-Y622 HydrophobicContact CD2-CD1 3.57Å; L617-Y622 HydrophobicContact CD2-CE1 4.11Å; L617-Y622 HydrophobicContact CD2-CG 4.28Å |
| 618 | R | 69.6 | Low | 72.4 | Confident | 166 Ų | 166 | 52.6 Ų | 52.6 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.1 | -22.2 | 171.8 | -68.9 | -175 | -62.1 | 176.2 | 2.5 | 112.8 | I517 A614 S615 | I517-R618 HydrophobicContact CG2-CB 3.98Å; A614-R618 WeakPolarHBondContact O-CG 3.46Å; A614-R618 PolarHBondContact O-N 3.47Å; A614-R618 VanDerWaalsContact O-N 3.12Å; S615-R618 WeakPolarHBondContact O-CB 3.17Å; S615-R618 PolarHBondContact O-N 2.94Å; S615-R618 PolarHBondContact OG-NH2 2.83Å; S615-R618 VanDerWaalsContact OG-NH2 3.11Å |
| 619 | A | 74.4 | Confident | 70 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | I517 L541 L563 S615 F616 L617 | I517-A619 HydrophobicContact CD1-CB 3.36Å; L541-A619 HydrophobicContact CD1-CB 3.89Å; L541-A619 HydrophobicContact CD2-CB 4.11Å; L541-A619 HydrophobicContact CG-CB 4.08Å; L563-A619 HydrophobicContact CD1-CB 3.51Å; S615-A619 PolarHBondContact O-N 3.33Å; S615-A619 VanDerWaalsContact O-N 3.1Å; F616-A619 CarbonylContact O-C 3.48Å; F616-A619 VanDerWaalsContact O-CA 3.3Å; F616-A619 WeakPolarHBondContact O-CA 3.14Å; F616-A619 VanDerWaalsContact O-CB 3.27Å; F616-A619 WeakPolarHBondContact O-CB 3.37Å; F616-A619 PolarHBondContact O-N 3.3Å; L617-A619 PolarHBondContact O-N 3.45Å; L617-A619 VanDerWaalsContact O-N 3.17Å |
| 620 | G | 70.1 | Confident | 67.4 | Low | 41 Ų | 41 | 67.4 Ų | 67.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 13.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | F616 L617 Y622 | F616-G620 PolarHBondContact O-N 3.43Å; F616-G620 VanDerWaalsContact O-N 3.15Å; L617-G620 PolarHBondContact O-N 2.95Å; G620-Y622 WeakPolarHBondContact O-CD2 3.4Å; G620-Y622 VanDerWaalsContact O-CE2 3.23Å; G620-Y622 WeakPolarHBondContact O-CE2 3.35Å |
| 621 | V | 77.6 | Confident | 65.1 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -99.6 | 109.5 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | L563 L566 I568 L584 F616 L617 | L563-V621 HydrophobicContact CB-CG2 3.7Å; L563-V621 HydrophobicContact CD1-CG2 3.95Å; L563-V621 HydrophobicContact CD2-CG2 3.89Å; L563-V621 HydrophobicContact CG-CG2 4.01Å; L566-V621 HydrophobicContact CB-CG1 4.01Å; L566-V621 WeakPolarHBondContact O-CG1 3.5Å; I568-V621 HydrophobicContact CD1-CG1 4.29Å; I568-V621 HydrophobicContact CG1-CB 4.47Å; I568-V621 HydrophobicContact CG1-CG1 3.63Å; L584-V621 HydrophobicContact CD2-CG1 4.25Å; F616-V621 CarbonylContact C-O 3.49Å; F616-V621 HydrophobicContact CB-CB 4.06Å; F616-V621 HydrophobicContact CD1-CB 4.15Å; F616-V621 HydrophobicContact CD1-CG1 4.41Å; F616-V621 HydrophobicContact CD1-CG2 4.1Å; F616-V621 PolarHBondContact O-N 2.61Å; L617-V621 PolarHBondContact N-O 3.36Å | ||
| 622 | Y | 77 | Confident | 62.7 | Low | 114 Ų | 114 | 79.2 Ų | 79.2 | 45% | 0.447 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 153.5 | -172.1 | -62.2 | -91.7 | 0 | 0 | 0 | 112.2 | K567 I568 L617 G620 | K567-Y622 CarbonylContact C-O 3.57Å; K567-Y622 WeakPolarHBondContact CA-O 3.44Å; K567-Y622 WeakPolarHBondContact CB-O 3.49Å; I568-Y622 PolarHBondContact N-O 3.41Å; L617-Y622 HydrophobicContact CD2-CD1 3.57Å; L617-Y622 HydrophobicContact CD2-CE1 4.11Å; L617-Y622 HydrophobicContact CD2-CG 4.28Å; G620-Y622 WeakPolarHBondContact O-CD2 3.4Å; G620-Y622 VanDerWaalsContact O-CE2 3.23Å; G620-Y622 WeakPolarHBondContact O-CE2 3.35Å |
| 623 | P | 76.9 | Confident | 60.1 | Low | 47 Ų | 47 | 87 Ų | 87 | 31% | 0.305 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 143.9 | 173 | -25 | 32.5 | 0 | 0 | 0 | 113.2 | I568 | I568-P623 CarbonylContact O-C 3.59Å; I568-P623 WeakPolarHBondContact O-CA 3.48Å |
| 624 | A | 74.1 | Confident | 57.7 | Low | 21 Ų | 21 | 91.1 Ų | 91.1 | 17% | 0.174 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 138.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | K567 I568 R569 F585 T626 | K567-A624 HydrophobicContact CB-CB 4Å; K567-A624 HydrophobicContact CD-CB 4.46Å; I568-A624 PolarHBondContact O-N 2.89Å; R569-A624 HydrophobicContact CB-CB 4.07Å; F585-A624 HydrophobicContact CE1-CB 3.27Å; F585-A624 HydrophobicContact CZ-CB 3.23Å; A624-T626 PolarHBondContact O-N 3.03Å |
| 625 | K | 60.6 | Low | 55.8 | Low | 95 Ų | 95 | 96.3 Ų | 96.3 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 126.7 | -176.1 | -54.6 | 166.4 | -169.1 | 171 | 0 | 108.3 | D381 K627 | D381-K625 VanDerWaalsContact CA-CE 3.44Å; D381-K625 VanDerWaalsContact CA-NZ 3.27Å; D381-K625 HydrophobicContact CB-CD 3.59Å; D381-K625 VanDerWaalsContact CG-CD 3.43Å; D381-K625 IonicContact OD1-NZ 3.39Å; D381-K625 PolarHBondContact OD1-NZ 3.14Å; D381-K625 WeakPolarHBondContact OD2-CD 3.48Å; D381-K625 IonicContact OD2-NZ 2.74Å; D381-K625 PolarHBondContact OD2-NZ 2.96Å; K625-K627 PolarHBondContact O-N 2.89Å; K625-K627 VanDerWaalsContact O-N 3.14Å |
| 626 | T | 48.5 | Very low | 53.9 | Low | 130 Ų | 130 | 101.1 Ų | 101.1 | 80% | 0.798 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 117.4 | 167.1 | -11.9 | 0 | 0 | 0 | 0 | 106.4 | A624 S628 | A624-T626 PolarHBondContact O-N 3.03Å; T626-S628 VanDerWaalsContact C-N 3.27Å; T626-S628 PolarHBondContact O-N 3.26Å |
| 627 | K | 39.1 | Very low | 51.8 | Low | 200 Ų | 200 | 106.4 Ų | 106.4 | 87% | 0.87 | 57% | 0.567 | S | S | * | * | trans | -64.3 | 97.4 | 169.8 | -75.1 | -178.8 | 177.9 | 177.8 | 0 | 106.1 | K625 E629 | K625-K627 PolarHBondContact O-N 2.89Å; K625-K627 VanDerWaalsContact O-N 3.14Å; K627-E629 PolarHBondContact O-N 3.12Å | ||
| 628 | S | 38.3 | Very low | 50.2 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 74% | 0.741 | 60% | 0.597 | S | S | * | * | trans | -50.2 | 125.3 | 159.4 | 25.1 | 0 | 0 | 0 | 0 | 106.4 | T626 K630 | T626-S628 VanDerWaalsContact C-N 3.27Å; T626-S628 PolarHBondContact O-N 3.26Å; S628-K630 PolarHBondContact O-N 3.3Å; S628-K630 VanDerWaalsContact O-N 3.13Å | ||
| 629 | E | 33.8 | Very low | 49 | Very low | 184 Ų | 184 | 104.8 Ų | 104.8 | 86% | 0.86 | 58% | 0.579 | S | S | * | * | trans | -44.6 | 124.7 | 176.1 | -72.1 | 177.6 | 147.4 | 0 | 0 | 108.2 | K627 T631 | K627-E629 PolarHBondContact O-N 3.12Å; E629-T631 PolarHBondContact O-N 2.77Å | ||
| 630 | K | 30.2 | Very low | 47.3 | Very low | 190 Ų | 190 | 112.9 Ų | 112.9 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | trans | -57.8 | 103 | -177.9 | -69.8 | 179.3 | 175 | -174.3 | 0 | 107.4 | S628 E632 | S628-K630 PolarHBondContact O-N 3.3Å; S628-K630 VanDerWaalsContact O-N 3.13Å; K630-E632 PolarHBondContact O-N 2.72Å | ||
| 631 | T | 32.2 | Very low | 45.8 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -64.8 | 96 | 161 | -45.5 | 0 | 0 | 0 | 0 | 105.9 | E629 Q633 | E629-T631 PolarHBondContact O-N 2.77Å; T631-Q633 PolarHBondContact O-N 2.86Å | ||
| 632 | E | 29.6 | Very low | 44.3 | Very low | 176 Ų | 176 | 118.6 Ų | 118.6 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | trans | -60.5 | 99.4 | 165.9 | -68.2 | -176.4 | 160.9 | 0 | 0 | 107.9 | K630 | K630-E632 PolarHBondContact O-N 2.72Š| ||
| 633 | Q | 31.5 | Very low | 43.6 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | trans | -161.2 | 107.3 | 157.7 | -107.5 | 161 | 33.7 | 0 | 0 | 109.6 | T631 | T631-Q633 PolarHBondContact O-N 2.86Š| ||
| 634 | S | 33.2 | Very low | 43.3 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 27.8 | 112.8 | 143.8 | 56.2 | 0 | 0 | 0 | 0 | 117 | ||
| 635 | D | 35.8 | Very low | 43.2 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | cis | -156.9 | 78.4 | 48.1 | -78.9 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 636 | S | 40.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | -83.9 | -10.6 | -179.3 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 637 | S | 40 | Very low | 45.5 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -7.6 | -172.4 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 638 | S | 41.1 | Very low | 47.2 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 8.8 | -176.9 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 639 | L | 45.1 | Very low | 49.2 | Very low | 49 Ų | 49 | 115.9 Ų | 115.9 | 26% | 0.257 | 63% | 0.625 | S | S | . | * | trans | -96.9 | -15.3 | -173.3 | -82 | 154.8 | 0 | 0 | 0 | 115.1 | Y391 A641 | Y391-L639 HydrophobicContact CE1-CD1 4.48Å; Y391-L639 HydrophobicContact CE1-CD2 4.39Å; Y391-L639 WeakPolarHBondContact OH-CD1 3.34Å; L639-A641 VanDerWaalsContact C-N 3.35Å; L639-A641 PolarHBondContact O-N 3.19Å | ||
| 640 | E | 38 | Very low | 51.6 | Low | 178 Ų | 178 | 107.7 Ų | 107.7 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | trans | -85.2 | 11 | -170.5 | -67 | -171.1 | 165.8 | 0 | 0 | 115.8 | S642 | E640-S642 VanDerWaalsContact C-N 3.31Å; E640-S642 PolarHBondContact O-N 3.38Å | ||
| 641 | A | 39.5 | Very low | 54.1 | Low | 82 Ų | 82 | 100.1 Ų | 100.1 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | trans | -76.1 | 88.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L639 E643 | L639-A641 VanDerWaalsContact C-N 3.35Å; L639-A641 PolarHBondContact O-N 3.19Å; A641-E643 PolarHBondContact O-N 2.82Å | ||
| 642 | S | 46.1 | Very low | 56.5 | Low | 80 Ų | 80 | 95.1 Ų | 95.1 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | trans | -64.3 | 95 | -179.5 | 31.1 | 0 | 0 | 0 | 0 | 111.5 | E640 P644 E647 | E640-S642 VanDerWaalsContact C-N 3.31Å; E640-S642 PolarHBondContact O-N 3.38Å; S642-P644 WeakPolarHBondContact O-CD 3.35Å; S642-E647 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 643 | E | 62.1 | Low | 59.2 | Low | 132 Ų | 132 | 86.9 Ų | 86.9 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | trans | -73.5 | 109.8 | 161.4 | -75.2 | -179.3 | -179.7 | 0 | 0 | 108.3 | A641 Q645 L646 E647 | A641-E643 PolarHBondContact O-N 2.82Å; E643-Q645 PolarHBondContact O-N 3.41Å; E643-L646 HydrophobicContact CB-CB 4.08Å; E643-L646 WeakPolarHBondContact O-CB 3.24Å; E643-L646 PolarHBondContact O-N 2.88Å; E643-E647 PolarHBondContact O-N 2.92Å | ||
| 644 | P | 70.3 | Confident | 61.9 | Low | 104 Ų | 104 | 80.4 Ų | 80.4 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59 | -26.8 | -175.7 | -24.5 | 35.4 | 0 | 0 | 0 | 113.1 | S642 R648 | S642-P644 WeakPolarHBondContact O-CD 3.35Å; P644-R648 PolarHBondContact O-N 3.45Å |
| 645 | Q | 71.9 | Confident | 64.3 | Low | 128 Ų | 128 | 76.2 Ų | 76.2 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.6 | -39 | 176.7 | -169.3 | 173.7 | -3 | 0 | 0 | 112.3 | E643 Q649 | E643-Q645 PolarHBondContact O-N 3.41Å; Q645-Q649 WeakPolarHBondContact O-CG 3.43Å; Q645-Q649 PolarHBondContact O-N 2.69Å; Q645-Q649 VanDerWaalsContact O-N 3.13Å |
| 646 | L | 79.7 | Confident | 66.8 | Low | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 177.1 | 178.3 | 64.4 | 0 | 0 | 0 | 110.8 | I393 R394 E643 R648 Q649 V650 | I393-L646 HydrophobicContact CB-CD1 3.91Å; I393-L646 HydrophobicContact CD1-CD1 3.93Å; I393-L646 HydrophobicContact CG2-CD1 3.51Å; R394-L646 HydrophobicContact CG-CD2 4.32Å; E643-L646 HydrophobicContact CB-CB 4.08Å; E643-L646 WeakPolarHBondContact O-CB 3.24Å; E643-L646 PolarHBondContact O-N 2.88Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.91Å; L646-Q649 PolarHBondContact O-N 3.32Å; L646-V650 HydrophobicContact CD1-CG2 4.42Å; L646-V650 HydrophobicContact CG-CG2 4.45Å; L646-V650 VanDerWaalsContact O-CG2 3.29Å; L646-V650 WeakPolarHBondContact O-CG2 3.37Å; L646-V650 PolarHBondContact O-N 3.45Å |
| 647 | E | 76.9 | Confident | 69.2 | Low | 114 Ų | 114 | 65.4 Ų | 65.4 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 177.4 | -70.1 | 178.3 | 179 | 0 | 0 | 111.8 | S642 E643 V650 E651 | S642-E647 WeakPolarHBondContact CB-OE1 3.45Å; E643-E647 PolarHBondContact O-N 2.92Å; E647-V650 PolarHBondContact O-N 3.19Å; E647-E651 PolarHBondContact O-N 2.87Å; E647-E651 VanDerWaalsContact O-N 3.12Å |
| 648 | R | 74.9 | Confident | 71.4 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.5 | -169.6 | 178.1 | -174.7 | -151.8 | -5.7 | 112.3 | E501 P644 L646 V650 E651 I652 | E501-R648 IonicContact OE1-CZ 3.32Å; E501-R648 VanDerWaalsContact OE1-CZ 3.32Å; E501-R648 IonicContact OE1-NH1 3.61Å; E501-R648 IonicContact OE1-NH2 2.67Å; E501-R648 PolarHBondContact OE1-NH2 3.43Å; P644-R648 PolarHBondContact O-N 3.45Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.91Å; R648-V650 VanDerWaalsContact C-N 3.34Å; R648-V650 PolarHBondContact O-N 3.38Å; R648-E651 PolarHBondContact O-N 3.25Å; R648-I652 HydrophobicContact CG-CD1 4.24Å; R648-I652 WeakPolarHBondContact O-CG1 3.47Å; R648-I652 PolarHBondContact O-N 3.01Å; R648-I652 VanDerWaalsContact O-N 3.1Å |
| 649 | Q | 80.6 | Confident | 73.6 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.6 | -73.8 | 177.9 | -6.1 | 0 | 0 | 112 | I393 Q645 L646 E651 I652 I653 | I393-Q649 HydrophobicContact CD1-CB 3.89Å; Q645-Q649 WeakPolarHBondContact O-CG 3.43Å; Q645-Q649 PolarHBondContact O-N 2.69Å; Q645-Q649 VanDerWaalsContact O-N 3.13Å; L646-Q649 PolarHBondContact O-N 3.32Å; Q649-E651 VanDerWaalsContact C-N 3.32Å; Q649-E651 PolarHBondContact O-N 3.04Å; Q649-I652 PolarHBondContact O-N 3.38Å; Q649-I653 WeakPolarHBondContact O-CG1 3.38Å; Q649-I653 PolarHBondContact O-N 3.31Å |
| 650 | V | 84.9 | Confident | 75.9 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.5 | 168.6 | 0 | 0 | 0 | 0 | 111 | R386 I389 I393 L646 E647 R648 I653 R654 | R386-V650 HydrophobicContact CB-CG1 3.85Å; R386-V650 HydrophobicContact CG-CG1 3.88Å; I389-V650 HydrophobicContact CB-CG1 4.25Å; I389-V650 HydrophobicContact CG2-CB 4.16Å; I389-V650 HydrophobicContact CG2-CG1 4.12Å; I389-V650 HydrophobicContact CG2-CG2 4.02Å; I393-V650 HydrophobicContact CD1-CG2 3.78Å; L646-V650 HydrophobicContact CD1-CG2 4.42Å; L646-V650 HydrophobicContact CG-CG2 4.45Å; L646-V650 VanDerWaalsContact O-CG2 3.29Å; L646-V650 WeakPolarHBondContact O-CG2 3.37Å; L646-V650 PolarHBondContact O-N 3.45Å; E647-V650 PolarHBondContact O-N 3.19Å; R648-V650 VanDerWaalsContact C-N 3.34Å; R648-V650 PolarHBondContact O-N 3.38Å; V650-I653 PolarHBondContact O-N 3.3Å; V650-R654 WeakPolarHBondContact O-CB 3.46Å; V650-R654 PolarHBondContact O-N 3.01Å |
| 651 | E | 82.7 | Confident | 78.4 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | -178 | -167 | 57.8 | -148.8 | 0 | 0 | 112.7 | R386 E647 R648 Q649 R654 N655 | R386-E651 IonicContact NE-OE2 3.4Å; R386-E651 PolarHBondContact NE-OE2 3.25Å; R386-E651 IonicContact NH2-OE2 3.43Å; E647-E651 PolarHBondContact O-N 2.87Å; E647-E651 VanDerWaalsContact O-N 3.12Å; R648-E651 PolarHBondContact O-N 3.25Å; Q649-E651 VanDerWaalsContact C-N 3.32Å; Q649-E651 PolarHBondContact O-N 3.04Å; E651-R654 WeakPolarHBondContact O-CB 3.46Å; E651-R654 PolarHBondContact O-N 2.83Å; E651-R654 IonicContact OE1-CZ 2.93Å; E651-R654 IonicContact OE1-NE 2.72Å; E651-R654 PolarHBondContact OE1-NE 3.23Å; E651-R654 IonicContact OE1-NH2 3.7Å; E651-R654 PolarHBondContact OE1-NH2 2.96Å; E651-R654 IonicContact OE2-NE 3.17Å; E651-R654 PolarHBondContact OE2-NE 2.84Å; E651-N655 PolarHBondContact O-N 3.27Å; E651-N655 PolarHBondContact O-ND2 3.48Å |
| 652 | I | 82.2 | Confident | 80.8 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -50.7 | 173.2 | -67.3 | 168 | 0 | 0 | 0 | 110.2 | A500 E501 R648 Q649 R654 N655 L656 | A500-I652 HydrophobicContact CB-CG2 4.25Å; E501-I652 HydrophobicContact CB-CD1 4.29Å; E501-I652 HydrophobicContact CG-CD1 4.01Å; R648-I652 HydrophobicContact CG-CD1 4.24Å; R648-I652 WeakPolarHBondContact O-CG1 3.47Å; R648-I652 PolarHBondContact O-N 3.01Å; R648-I652 VanDerWaalsContact O-N 3.1Å; Q649-I652 PolarHBondContact O-N 3.38Å; I652-R654 VanDerWaalsContact C-N 3.3Å; I652-R654 PolarHBondContact O-N 3.18Å; I652-N655 PolarHBondContact O-N 2.98Å; I652-L656 HydrophobicContact CG2-CD1 4.02Å; I652-L656 WeakPolarHBondContact O-CG 3.45Å; I652-L656 PolarHBondContact O-N 2.95Å |
| 653 | I | 86.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 178.9 | -66.3 | 179.5 | 0 | 0 | 0 | 110.5 | I389 I393 A409 F410 Q649 V650 N655 L656 V657 | I389-I653 HydrophobicContact CD1-CG2 4.13Å; I389-I653 HydrophobicContact CG1-CG2 4.06Å; I389-I653 HydrophobicContact CG2-CB 3.84Å; I389-I653 HydrophobicContact CG2-CD1 4.12Å; I389-I653 HydrophobicContact CG2-CG2 3.81Å; I393-I653 HydrophobicContact CD1-CD1 3.98Å; I393-I653 HydrophobicContact CG1-CD1 3.97Å; A409-I653 HydrophobicContact CB-CD1 3.43Å; A409-I653 VanDerWaalsContact CB-CD1 3.43Å; F410-I653 HydrophobicContact CB-CG2 4.19Å; Q649-I653 WeakPolarHBondContact O-CG1 3.38Å; Q649-I653 PolarHBondContact O-N 3.31Å; V650-I653 PolarHBondContact O-N 3.3Å; I653-N655 PolarHBondContact O-N 3.27Å; I653-L656 PolarHBondContact O-N 3.4Å; I653-V657 HydrophobicContact CG2-CG2 4.01Å; I653-V657 WeakPolarHBondContact O-CB 3.45Å; I653-V657 VanDerWaalsContact O-CG2 3.22Å; I653-V657 WeakPolarHBondContact O-CG2 3.47Å; I653-V657 PolarHBondContact O-N 3.22Å |
| 654 | R | 87.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.1 | -169.9 | -154 | 64.1 | 71.6 | -4.2 | 111.7 | L385 I389 V650 E651 I652 L656 V657 D658 | L385-R654 HydrophobicContact CD2-CG 4.16Å; I389-R654 HydrophobicContact CD1-CB 3.92Å; I389-R654 HydrophobicContact CD1-CG 4.46Å; V650-R654 WeakPolarHBondContact O-CB 3.46Å; V650-R654 PolarHBondContact O-N 3.01Å; E651-R654 WeakPolarHBondContact O-CB 3.46Å; E651-R654 PolarHBondContact O-N 2.83Å; E651-R654 IonicContact OE1-CZ 2.93Å; E651-R654 IonicContact OE1-NE 2.72Å; E651-R654 PolarHBondContact OE1-NE 3.23Å; E651-R654 IonicContact OE1-NH2 3.7Å; E651-R654 PolarHBondContact OE1-NH2 2.96Å; E651-R654 IonicContact OE2-NE 3.17Å; E651-R654 PolarHBondContact OE2-NE 2.84Å; I652-R654 VanDerWaalsContact C-N 3.3Å; I652-R654 PolarHBondContact O-N 3.18Å; R654-L656 VanDerWaalsContact C-N 3.35Å; R654-L656 PolarHBondContact O-N 2.95Å; R654-V657 PolarHBondContact O-N 3.3Å; R654-D658 WeakPolarHBondContact O-CB 3.3Å; R654-D658 PolarHBondContact O-N 3.43Å |
| 655 | N | 84.5 | Confident | 85.7 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.7 | -80.4 | -31.3 | 0 | 0 | 0 | 112.3 | I495 A500 E651 I652 I653 D658 S659 | I495-N655 HydrophobicContact CD1-CB 4.14Å; A500-N655 HydrophobicContact CB-CB 4.06Å; A500-N655 PolarHBondContact O-ND2 3Å; E651-N655 PolarHBondContact O-N 3.27Å; E651-N655 PolarHBondContact O-ND2 3.48Å; I652-N655 PolarHBondContact O-N 2.98Å; I653-N655 PolarHBondContact O-N 3.27Å; N655-D658 PolarHBondContact O-N 3.44Å; N655-S659 WeakPolarHBondContact O-CB 3.35Å; N655-S659 PolarHBondContact O-N 3.21Å |
| 656 | L | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.2 | -65.6 | 168.4 | 0 | 0 | 0 | 111.3 | F410 F494 I495 G496 F497 A500 I652 I653 R654 D658 S659 Y660 | F410-L656 HydrophobicContact CD2-CB 3.51Å; F410-L656 VanDerWaalsContact CE2-C 3.45Å; F410-L656 HydrophobicContact CE2-CB 3.6Å; F410-L656 HydrophobicContact CG-CB 4.39Å; F494-L656 HydrophobicContact CE1-CD2 4.28Å; F494-L656 HydrophobicContact CE2-CD2 4.32Å; F494-L656 WeakPolarHBondContact CE2-O 3.47Å; F494-L656 HydrophobicContact CZ-CB 4.3Å; F494-L656 HydrophobicContact CZ-CD2 3.7Å; I495-L656 HydrophobicContact CD1-CD2 4.5Å; I495-L656 HydrophobicContact CG1-CD2 4.21Å; G496-L656 WeakPolarHBondContact O-CD2 3.26Å; F497-L656 HydrophobicContact CD1-CD1 3.52Å; F497-L656 HydrophobicContact CE1-CD1 3.27Å; F497-L656 HydrophobicContact CG-CD1 4.34Å; F497-L656 HydrophobicContact CZ-CD1 3.95Å; A500-L656 HydrophobicContact CB-CD2 3.59Å; A500-L656 HydrophobicContact CB-CG 3.74Å; I652-L656 HydrophobicContact CG2-CD1 4.02Å; I652-L656 WeakPolarHBondContact O-CG 3.45Å; I652-L656 PolarHBondContact O-N 2.95Å; I653-L656 PolarHBondContact O-N 3.4Å; R654-L656 VanDerWaalsContact C-N 3.35Å; R654-L656 PolarHBondContact O-N 2.95Å; L656-D658 VanDerWaalsContact C-N 3.35Å; L656-D658 PolarHBondContact O-N 3.4Å; L656-S659 PolarHBondContact O-N 3.49Å; L656-Y660 WeakPolarHBondContact O-CB 3.29Å; L656-Y660 PolarHBondContact O-N 3.22Å |
| 657 | V | 90.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | F410 I413 Q417 I653 R654 S659 Y660 M661 | F410-V657 HydrophobicContact CD2-CG2 3.9Å; F410-V657 HydrophobicContact CE2-CG2 4.31Å; I413-V657 HydrophobicContact CB-CG2 4.17Å; I413-V657 HydrophobicContact CG2-CG1 4.18Å; I413-V657 HydrophobicContact CG2-CG2 3.76Å; Q417-V657 HydrophobicContact CG-CG1 4.43Å; I653-V657 HydrophobicContact CG2-CG2 4.01Å; I653-V657 WeakPolarHBondContact O-CB 3.45Å; I653-V657 VanDerWaalsContact O-CG2 3.22Å; I653-V657 WeakPolarHBondContact O-CG2 3.47Å; I653-V657 PolarHBondContact O-N 3.22Å; R654-V657 PolarHBondContact O-N 3.3Å; V657-S659 PolarHBondContact O-N 3.01Å; V657-Y660 PolarHBondContact O-N 3.12Å; V657-M661 HydrophobicContact CG1-CG 4.07Å; V657-M661 VanDerWaalsContact O-CB 3.29Å; V657-M661 WeakPolarHBondContact O-CB 3.36Å; V657-M661 WeakPolarHBondContact O-CG 3.09Å; V657-M661 PolarHBondContact O-N 3.42Å |
| 658 | D | 86.7 | Confident | 88.3 | Confident | 51 Ų | 51 | 33 Ų | 33 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.1 | -46 | 179.1 | -179.2 | 43.2 | 0 | 0 | 0 | 112.2 | R654 N655 L656 Y660 M661 K662 | R654-D658 WeakPolarHBondContact O-CB 3.3Å; R654-D658 PolarHBondContact O-N 3.43Å; N655-D658 PolarHBondContact O-N 3.44Å; L656-D658 VanDerWaalsContact C-N 3.35Å; L656-D658 PolarHBondContact O-N 3.4Å; D658-Y660 PolarHBondContact O-N 3.16Å; D658-M661 PolarHBondContact O-N 2.82Å; D658-K662 WeakPolarHBondContact O-CG 3.28Å; D658-K662 PolarHBondContact O-N 3.48Å; D658-K662 VanDerWaalsContact OD1-CE 3.24Å; D658-K662 WeakPolarHBondContact OD1-CE 3.18Å; D658-K662 IonicContact OD1-NZ 3.32Å; D658-K662 PolarHBondContact OD1-NZ 2.86Å; D658-K662 WeakPolarHBondContact OD2-CE 3.45Å; D658-K662 IonicContact OD2-NZ 2.59Å; D658-K662 PolarHBondContact OD2-NZ 3.27Å |
| 659 | S | 87.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.063 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | F494 I495 N655 L656 V657 | F494-S659 WeakPolarHBondContact CD2-OG 3.41Å; I495-S659 WeakPolarHBondContact CG2-OG 3.37Å; I495-S659 PolarHBondContact N-OG 2.96Å; I495-S659 VanDerWaalsContact N-OG 3.12Å; N655-S659 WeakPolarHBondContact O-CB 3.35Å; N655-S659 PolarHBondContact O-N 3.21Å; L656-S659 PolarHBondContact O-N 3.49Å; V657-S659 PolarHBondContact O-N 3.01Å |
| 660 | Y | 92.3 | Very high | 90 | Very high | 8 Ų | 8 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -42.2 | -179.9 | -162.3 | -96.7 | 0 | 0 | 0 | 111.6 | F410 T414 I418 M487 N488 F494 L656 V657 D658 K662 I663 V664 | F410-Y660 HydrophobicContact CZ-CD2 4.46Å; F410-Y660 HydrophobicContact CZ-CG 4.2Å; T414-Y660 HydrophobicContact CG2-CD1 3.39Å; T414-Y660 HydrophobicContact CG2-CE1 4.05Å; T414-Y660 HydrophobicContact CG2-CG 4.15Å; I418-Y660 HydrophobicContact CD1-CD1 4.36Å; I418-Y660 HydrophobicContact CD1-CE1 3.92Å; M487-Y660 VanDerWaalsContact CA-OH 3.25Å; M487-Y660 WeakPolarHBondContact CA-OH 3.2Å; M487-Y660 HydrophobicContact CG-CE1 4.37Å; N488-Y660 PolarHBondContact N-OH 2.75Å; F494-Y660 AromaticContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CD2 3.88Å; F494-Y660 HydrophobicContact CD2-CG 4.48Å; F494-Y660 HydrophobicContact CE2-CD2 4.02Å; F494-Y660 HydrophobicContact CE2-CG 4.38Å; F494-Y660 HydrophobicContact CG-CD2 4.49Å; L656-Y660 WeakPolarHBondContact O-CB 3.29Å; L656-Y660 PolarHBondContact O-N 3.22Å; V657-Y660 PolarHBondContact O-N 3.12Å; D658-Y660 PolarHBondContact O-N 3.16Å; Y660-K662 VanDerWaalsContact C-N 3.3Å; Y660-K662 PolarHBondContact O-N 2.97Å; Y660-I663 WeakPolarHBondContact O-CB 3.38Å; Y660-I663 PolarHBondContact O-N 3.5Å; Y660-I663 VanDerWaalsContact O-N 3.08Å; Y660-V664 HydrophobicContact CD1-CG2 3.73Å; Y660-V664 HydrophobicContact CE1-CG2 3.42Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.42Å; Y660-V664 PolarHBondContact O-N 2.82Å; Y660-V664 VanDerWaalsContact O-N 3.13Å |
| 661 | M | 91.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 179.1 | -73.1 | -54.9 | -59.5 | 0 | 0 | 112.1 | T414 Q417 I418 M421 V657 D658 I663 V664 I665 | T414-M661 HydrophobicContact CG2-SD 4.45Å; Q417-M661 HydrophobicContact CB-CE 3.78Å; Q417-M661 HydrophobicContact CB-CG 4.17Å; Q417-M661 HydrophobicContact CB-SD 3.56Å; Q417-M661 VanDerWaalsContact CB-SD 3.56Å; I418-M661 HydrophobicContact CG1-CE 4.48Å; I418-M661 HydrophobicContact CG1-SD 3.82Å; M421-M661 HydrophobicContact CG-CE 4.41Å; M421-M661 HydrophobicContact SD-CE 3.77Å; V657-M661 HydrophobicContact CG1-CG 4.07Å; V657-M661 VanDerWaalsContact O-CB 3.29Å; V657-M661 WeakPolarHBondContact O-CB 3.36Å; V657-M661 WeakPolarHBondContact O-CG 3.09Å; V657-M661 PolarHBondContact O-N 3.42Å; D658-M661 PolarHBondContact O-N 2.82Å; M661-I663 VanDerWaalsContact C-N 3.27Å; M661-I663 PolarHBondContact O-N 3.12Å; M661-V664 PolarHBondContact O-N 2.91Å; M661-I665 HydrophobicContact CB-CD1 4.41Å; M661-I665 HydrophobicContact CE-CD1 4.38Å; M661-I665 HydrophobicContact CE-CG1 4.37Å; M661-I665 VanDerWaalsContact O-CB 3.26Å; M661-I665 WeakPolarHBondContact O-CB 3.43Å; M661-I665 WeakPolarHBondContact O-CG1 3.06Å; M661-I665 PolarHBondContact O-N 3.36Å |
| 662 | K | 90.1 | Very high | 91.4 | Very high | 115 Ų | 115 | 31.7 Ų | 31.7 | 50% | 0.5 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.7 | -39.4 | 173.3 | -76.6 | 168.8 | -172.5 | 158.9 | 0 | 112.7 | D658 Y660 K666 | D658-K662 WeakPolarHBondContact O-CG 3.28Å; D658-K662 PolarHBondContact O-N 3.48Å; D658-K662 VanDerWaalsContact OD1-CE 3.24Å; D658-K662 WeakPolarHBondContact OD1-CE 3.18Å; D658-K662 IonicContact OD1-NZ 3.32Å; D658-K662 PolarHBondContact OD1-NZ 2.86Å; D658-K662 WeakPolarHBondContact OD2-CE 3.45Å; D658-K662 IonicContact OD2-NZ 2.59Å; D658-K662 PolarHBondContact OD2-NZ 3.27Å; Y660-K662 VanDerWaalsContact C-N 3.3Å; Y660-K662 PolarHBondContact O-N 2.97Å; K662-K666 VanDerWaalsContact O-CB 3.25Å; K662-K666 WeakPolarHBondContact O-CB 3.2Å; K662-K666 PolarHBondContact O-N 3.35Å; K662-K666 VanDerWaalsContact O-N 3.09Å |
| 663 | I | 92.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -53.9 | 177.2 | -59.2 | 164.9 | 0 | 0 | 0 | 109.4 | H491 D493 F494 Y660 M661 I665 K666 T667 | H491-I663 HydrophobicContact CB-CD1 4.15Å; H491-I663 WeakPolarHBondContact NE2-CG2 3.38Å; D493-I663 HydrophobicContact CB-CD1 4.12Å; D493-I663 HydrophobicContact CB-CG1 3.92Å; F494-I663 HydrophobicContact CB-CD1 3.79Å; F494-I663 HydrophobicContact CD2-CD1 4.38Å; Y660-I663 WeakPolarHBondContact O-CB 3.38Å; Y660-I663 PolarHBondContact O-N 3.5Å; Y660-I663 VanDerWaalsContact O-N 3.08Å; M661-I663 VanDerWaalsContact C-N 3.27Å; M661-I663 PolarHBondContact O-N 3.12Å; I663-I665 PolarHBondContact O-N 3.33Å; I663-K666 PolarHBondContact O-N 2.96Å; I663-T667 PolarHBondContact O-N 3.19Å; I663-T667 PolarHBondContact O-OG1 3.47Å |
| 664 | V | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | -176.7 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | I418 M421 Q483 Y660 M661 T667 Q668 | I418-V664 HydrophobicContact CD1-CG2 4.21Å; I418-V664 HydrophobicContact CG1-CG1 4.26Å; I418-V664 HydrophobicContact CG1-CG2 4.38Å; I418-V664 HydrophobicContact CG2-CG1 4.43Å; M421-V664 HydrophobicContact CE-CG1 3.88Å; M421-V664 HydrophobicContact SD-CB 4.41Å; M421-V664 HydrophobicContact SD-CG1 3.66Å; Q483-V664 HydrophobicContact CB-CG1 4.14Å; Q483-V664 HydrophobicContact CG-CG1 3.96Å; Y660-V664 HydrophobicContact CD1-CG2 3.73Å; Y660-V664 HydrophobicContact CE1-CG2 3.42Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.42Å; Y660-V664 PolarHBondContact O-N 2.82Å; Y660-V664 VanDerWaalsContact O-N 3.13Å; M661-V664 PolarHBondContact O-N 2.91Å; V664-T667 PolarHBondContact O-N 3.5Å; V664-Q668 WeakPolarHBondContact O-CB 3.47Å; V664-Q668 PolarHBondContact O-N 3.04Å |
| 665 | I | 93.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 176.3 | -72.6 | 168.5 | 0 | 0 | 0 | 110.4 | M375 M421 M661 I663 T667 Q668 L669 | M375-I665 HydrophobicContact CG-CB 4.41Å; M375-I665 HydrophobicContact CG-CG1 4.03Å; M375-I665 HydrophobicContact CG-CG2 3.8Å; M421-I665 HydrophobicContact CE-CG1 4.1Å; M421-I665 HydrophobicContact SD-CG1 4.3Å; M661-I665 HydrophobicContact CB-CD1 4.41Å; M661-I665 HydrophobicContact CE-CD1 4.38Å; M661-I665 HydrophobicContact CE-CG1 4.37Å; M661-I665 VanDerWaalsContact O-CB 3.26Å; M661-I665 WeakPolarHBondContact O-CB 3.43Å; M661-I665 WeakPolarHBondContact O-CG1 3.06Å; M661-I665 PolarHBondContact O-N 3.36Å; I663-I665 PolarHBondContact O-N 3.33Å; I665-T667 VanDerWaalsContact C-N 3.33Å; I665-T667 PolarHBondContact O-N 2.88Å; I665-Q668 PolarHBondContact O-N 3.22Å; I665-L669 HydrophobicContact CG2-CD1 3.83Å; I665-L669 HydrophobicContact CG2-CG 4.15Å; I665-L669 WeakPolarHBondContact O-CB 3.19Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.45Å; I665-L669 PolarHBondContact O-N 3.29Å |
| 666 | K | 93.3 | Very high | 93.9 | Very high | 136 Ų | 136 | 36.1 Ų | 36.1 | 59% | 0.591 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -59.5 | -43.5 | 178.4 | -176.5 | -179.5 | 174.4 | -169.4 | 0 | 111.7 | D493 K662 I663 D670 | D493-K666 IonicContact OD2-NZ 2.67Å; K662-K666 VanDerWaalsContact O-CB 3.25Å; K662-K666 WeakPolarHBondContact O-CB 3.2Å; K662-K666 PolarHBondContact O-N 3.35Å; K662-K666 VanDerWaalsContact O-N 3.09Å; I663-K666 PolarHBondContact O-N 2.96Å; K666-D670 PolarHBondContact O-N 3Å |
| 667 | T | 94.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 39 Ų | 39 | 28% | 0.282 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63 | -45 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | I663 V664 I665 D670 L671 | I663-T667 PolarHBondContact O-N 3.19Å; I663-T667 PolarHBondContact O-OG1 3.47Å; V664-T667 PolarHBondContact O-N 3.5Å; I665-T667 VanDerWaalsContact C-N 3.33Å; I665-T667 PolarHBondContact O-N 2.88Å; T667-D670 PolarHBondContact O-N 3.4Å; T667-L671 HydrophobicContact CG2-CD1 3.61Å; T667-L671 HydrophobicContact CG2-CG 4.12Å; T667-L671 WeakPolarHBondContact O-CB 3.27Å; T667-L671 WeakPolarHBondContact O-CG 3.47Å; T667-L671 PolarHBondContact O-N 3.03Å |
| 668 | Q | 95 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | -179.5 | -164.5 | 72.6 | 10.9 | 0 | 0 | 112.4 | M375 M421 S425 V664 I665 D670 L671 V672 | M375-Q668 HydrophobicContact CE-CB 4.28Å; M375-Q668 HydrophobicContact CE-CG 3.72Å; M421-Q668 HydrophobicContact CE-CB 3.29Å; M421-Q668 HydrophobicContact CE-CG 3.59Å; S425-Q668 PolarHBondContact OG-NE2 3.4Å; V664-Q668 WeakPolarHBondContact O-CB 3.47Å; V664-Q668 PolarHBondContact O-N 3.04Å; I665-Q668 PolarHBondContact O-N 3.22Å; Q668-D670 PolarHBondContact O-N 3.48Å; Q668-L671 PolarHBondContact O-N 2.72Å; Q668-V672 HydrophobicContact CG-CG2 3.81Å; Q668-V672 WeakPolarHBondContact O-CB 3.35Å; Q668-V672 WeakPolarHBondContact O-CG2 3.5Å; Q668-V672 PolarHBondContact O-N 3.47Å |
| 669 | L | 95.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -23.1 | 176.6 | -69.2 | -178.7 | 0 | 0 | 0 | 113 | L371 P372 M375 I665 P673 | L371-L669 HydrophobicContact CD1-CD2 4.41Å; L371-L669 HydrophobicContact CD2-CD2 3.99Å; L371-L669 HydrophobicContact CG-CD2 3.63Å; P372-L669 HydrophobicContact CB-CD1 4.31Å; P372-L669 HydrophobicContact CB-CD2 4.35Å; P372-L669 HydrophobicContact CG-CD1 4.41Å; P372-L669 HydrophobicContact CG-CD2 4.09Å; M375-L669 HydrophobicContact CB-CD2 4.07Å; M375-L669 HydrophobicContact CG-CD2 4.33Å; I665-L669 HydrophobicContact CG2-CD1 3.83Å; I665-L669 HydrophobicContact CG2-CG 4.15Å; I665-L669 WeakPolarHBondContact O-CB 3.19Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.45Å; I665-L669 PolarHBondContact O-N 3.29Å; L669-P673 VanDerWaalsContact O-CD 3.25Å; L669-P673 WeakPolarHBondContact O-CD 3.37Å; L669-P673 WeakPolarHBondContact O-CG 3.4Å |
| 670 | D | 96.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -87.8 | -45.2 | 174.1 | -180 | 63 | 0 | 0 | 0 | 112.5 | K666 T667 Q668 K674 | K666-D670 PolarHBondContact O-N 3Å; T667-D670 PolarHBondContact O-N 3.4Å; Q668-D670 PolarHBondContact O-N 3.48Å; D670-K674 WeakPolarHBondContact O-CD 3.47Å; D670-K674 WeakPolarHBondContact O-CG 3.41Å; D670-K674 WeakPolarHBondContact OD1-CE 3.35Å; D670-K674 IonicContact OD1-NZ 3.03Å; D670-K674 PolarHBondContact OD1-NZ 3.1Å; D670-K674 IonicContact OD2-NZ 3.54Å; D670-K674 PolarHBondContact OD2-NZ 3.38Å |
| 671 | L | 97.8 | Very high | 96 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -77.5 | -36.1 | -172.7 | -66.2 | -176.8 | 0 | 0 | 0 | 113.7 | L479 T667 Q668 K674 L675 | L479-L671 HydrophobicContact CD1-CB 4.04Å; L479-L671 HydrophobicContact CD2-CD1 4.03Å; T667-L671 HydrophobicContact CG2-CD1 3.61Å; T667-L671 HydrophobicContact CG2-CG 4.12Å; T667-L671 WeakPolarHBondContact O-CB 3.27Å; T667-L671 WeakPolarHBondContact O-CG 3.47Å; T667-L671 PolarHBondContact O-N 3.03Å; Q668-L671 PolarHBondContact O-N 2.72Å; L671-K674 PolarHBondContact O-N 3.16Å; L671-L675 VanDerWaalsContact O-CB 3.29Å; L671-L675 WeakPolarHBondContact O-CB 3.4Å; L671-L675 PolarHBondContact O-N 3.44Å |
| 672 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | -178.7 | 170 | 0 | 0 | 0 | 0 | 112 | L371 C428 I476 Q668 K674 L675 L676 | L371-V672 HydrophobicContact CD2-CB 4.09Å; L371-V672 HydrophobicContact CD2-CG1 4.01Å; C428-V672 HydrophobicContact CB-CG1 4.45Å; I476-V672 HydrophobicContact CD1-CG1 4.47Å; Q668-V672 HydrophobicContact CG-CG2 3.81Å; Q668-V672 WeakPolarHBondContact O-CB 3.35Å; Q668-V672 WeakPolarHBondContact O-CG2 3.5Å; Q668-V672 PolarHBondContact O-N 3.47Å; V672-K674 PolarHBondContact O-N 3.12Å; V672-L675 PolarHBondContact O-N 2.98Å; V672-L676 HydrophobicContact CG1-CD1 3.85Å; V672-L676 HydrophobicContact CG1-CG 4.46Å; V672-L676 WeakPolarHBondContact O-CG 3.48Å; V672-L676 PolarHBondContact O-N 2.91Å |
| 673 | P | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.1 | -27.8 | 37.8 | 0 | 0 | 0 | 113.3 | F367 L371 L669 L675 L676 M677 | F367-P673 HydrophobicContact CB-CB 4.08Å; F367-P673 HydrophobicContact CB-CG 3.97Å; F367-P673 HydrophobicContact CD1-CB 3.85Å; F367-P673 HydrophobicContact CD1-CG 3.97Å; F367-P673 HydrophobicContact CD2-CB 3.92Å; F367-P673 HydrophobicContact CE1-CB 4.21Å; F367-P673 HydrophobicContact CE2-CB 4.27Å; F367-P673 HydrophobicContact CG-CB 3.69Å; F367-P673 HydrophobicContact CG-CG 3.99Å; F367-P673 HydrophobicContact CZ-CB 4.41Å; L371-P673 HydrophobicContact CD2-CG 4.04Å; L669-P673 VanDerWaalsContact O-CD 3.25Å; L669-P673 WeakPolarHBondContact O-CD 3.37Å; L669-P673 WeakPolarHBondContact O-CG 3.4Å; P673-L675 VanDerWaalsContact C-N 3.34Å; P673-L675 PolarHBondContact O-N 2.93Å; P673-L676 PolarHBondContact O-N 2.81Å; P673-M677 WeakPolarHBondContact O-CB 3.42Å; P673-M677 WeakPolarHBondContact O-CG 3.3Å; P673-M677 PolarHBondContact O-N 3.38Å |
| 674 | K | 98.4 | Very high | 96.8 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 178.5 | -73.2 | 172.5 | 179.3 | 169.7 | 0 | 111.8 | D670 L671 V672 H678 | D670-K674 WeakPolarHBondContact O-CD 3.47Å; D670-K674 WeakPolarHBondContact O-CG 3.41Å; D670-K674 WeakPolarHBondContact OD1-CE 3.35Å; D670-K674 IonicContact OD1-NZ 3.03Å; D670-K674 PolarHBondContact OD1-NZ 3.1Å; D670-K674 IonicContact OD2-NZ 3.54Å; D670-K674 PolarHBondContact OD2-NZ 3.38Å; L671-K674 PolarHBondContact O-N 3.16Å; V672-K674 PolarHBondContact O-N 3.12Å; K674-H678 WeakPolarHBondContact O-CB 3.5Å; K674-H678 PolarHBondContact O-N 2.83Å |
| 675 | L | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 176.9 | -178.2 | 71.4 | 0 | 0 | 0 | 111.1 | Q475 I476 L479 L671 V672 P673 H678 M679 | Q475-L675 HydrophobicContact CB-CD1 3.85Å; Q475-L675 HydrophobicContact CB-CD2 3.71Å; Q475-L675 HydrophobicContact CB-CG 4.29Å; Q475-L675 HydrophobicContact CG-CD1 4.47Å; I476-L675 HydrophobicContact CB-CD2 4.44Å; I476-L675 HydrophobicContact CG1-CD2 3.56Å; L479-L675 HydrophobicContact CD1-CB 4.48Å; L479-L675 HydrophobicContact CD1-CD2 3.73Å; L479-L675 HydrophobicContact CG-CD2 4.44Å; L671-L675 VanDerWaalsContact O-CB 3.29Å; L671-L675 WeakPolarHBondContact O-CB 3.4Å; L671-L675 PolarHBondContact O-N 3.44Å; V672-L675 PolarHBondContact O-N 2.98Å; P673-L675 VanDerWaalsContact C-N 3.34Å; P673-L675 PolarHBondContact O-N 2.93Å; L675-H678 PolarHBondContact O-N 2.98Å; L675-M679 HydrophobicContact CD1-CG 3.63Å; L675-M679 HydrophobicContact CG-CG 4.12Å; L675-M679 VanDerWaalsContact O-CB 3.25Å; L675-M679 WeakPolarHBondContact O-CB 3.37Å; L675-M679 VanDerWaalsContact O-CG 3.32Å; L675-M679 WeakPolarHBondContact O-CG 3.1Å; L675-M679 PolarHBondContact O-N 3.01Å |
| 676 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.6 | -70.3 | 171.4 | 0 | 0 | 0 | 112.1 | F367 A429 V432 A472 I476 V672 P673 H678 L680 V681 | F367-L676 HydrophobicContact CE1-CB 4.13Å; F367-L676 HydrophobicContact CE1-CD1 3.8Å; F367-L676 HydrophobicContact CZ-CB 4.04Å; A429-L676 HydrophobicContact CB-CD1 4.34Å; A429-L676 HydrophobicContact CB-CD2 3.67Å; V432-L676 HydrophobicContact CG2-CD1 4.31Å; A472-L676 HydrophobicContact CB-CD2 4.21Å; I476-L676 HydrophobicContact CD1-CD2 3.95Å; I476-L676 HydrophobicContact CD1-CG 4.3Å; V672-L676 HydrophobicContact CG1-CD1 3.85Å; V672-L676 HydrophobicContact CG1-CG 4.46Å; V672-L676 WeakPolarHBondContact O-CG 3.48Å; V672-L676 PolarHBondContact O-N 2.91Å; P673-L676 PolarHBondContact O-N 2.81Å; L676-H678 VanDerWaalsContact C-N 3.34Å; L676-H678 PolarHBondContact O-N 3.39Å; L676-L680 HydrophobicContact CD2-CD1 3.5Å; L676-L680 HydrophobicContact CD2-CG 4.27Å; L676-L680 WeakPolarHBondContact O-CA 3.4Å; L676-L680 VanDerWaalsContact O-CB 3.25Å; L676-L680 WeakPolarHBondContact O-CB 3.47Å; L676-L680 PolarHBondContact O-N 3.4Å; L676-V681 PolarHBondContact O-N 3.17Å |
| 677 | M | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -60.9 | -43.2 | 173.5 | -76.1 | -57.7 | -58.8 | 0 | 0 | 112 | F367 P673 V681 N682 | F367-M677 HydrophobicContact CE2-CG 3.81Å; F367-M677 HydrophobicContact CE2-SD 3.81Å; F367-M677 HydrophobicContact CZ-CG 4.27Å; F367-M677 HydrophobicContact CZ-SD 4.34Å; P673-M677 WeakPolarHBondContact O-CB 3.42Å; P673-M677 WeakPolarHBondContact O-CG 3.3Å; P673-M677 PolarHBondContact O-N 3.38Å; M677-V681 HydrophobicContact CE-CB 3.97Å; M677-V681 HydrophobicContact CE-CG1 3.87Å; M677-V681 HydrophobicContact CE-CG2 4.31Å; M677-V681 PolarHBondContact O-N 3.01Å; M677-V681 HydrophobicContact SD-CB 4.04Å; M677-V681 HydrophobicContact SD-CG1 4.35Å; M677-V681 HydrophobicContact SD-CG2 3.73Å; M677-N682 WeakPolarHBondContact O-CB 3.35Å; M677-N682 VanDerWaalsContact O-CG 3.22Å; M677-N682 PolarHBondContact O-N 2.74Å; M677-N682 PolarHBondContact O-ND2 3.28Å |
| 678 | H | 98.2 | Very high | 97.5 | Very high | 110 Ų | 110 | 37.5 Ų | 37.5 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -71.1 | -53.4 | 179.4 | -177.1 | 64.1 | 0 | 0 | 0 | 112.3 | K674 L675 L676 | K674-H678 WeakPolarHBondContact O-CB 3.5Å; K674-H678 PolarHBondContact O-N 2.83Å; L675-H678 PolarHBondContact O-N 2.98Å; L676-H678 VanDerWaalsContact C-N 3.34Å; L676-H678 PolarHBondContact O-N 3.39Å |
| 679 | M | 97.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 45 Ų | 45 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -80.5 | -25 | -169.5 | -65.7 | -73.1 | -65.5 | 0 | 0 | 114.2 | R471 A472 Q475 L675 E683 | R471-M679 HydrophobicContact CB-CE 3.95Å; A472-M679 HydrophobicContact CB-CB 4.06Å; Q475-M679 HydrophobicContact CG-CE 3.87Å; L675-M679 HydrophobicContact CD1-CG 3.63Å; L675-M679 HydrophobicContact CG-CG 4.12Å; L675-M679 VanDerWaalsContact O-CB 3.25Å; L675-M679 WeakPolarHBondContact O-CB 3.37Å; L675-M679 VanDerWaalsContact O-CG 3.32Å; L675-M679 WeakPolarHBondContact O-CG 3.1Å; L675-M679 PolarHBondContact O-N 3.01Å; M679-E683 WeakPolarHBondContact O-CG 3.38Å |
| 680 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -108.1 | -72.2 | 177.5 | -60.6 | 175.3 | 0 | 0 | 0 | 111 | V432 V433 L436 R468 A472 L676 N682 E683 I684 | V432-L680 HydrophobicContact CG1-CD1 4.18Å; V433-L680 HydrophobicContact CG2-CD1 3.95Å; L436-L680 HydrophobicContact CD1-CB 4.14Å; R468-L680 HydrophobicContact CB-CD2 3.72Å; R468-L680 WeakPolarHBondContact O-CD2 3.19Å; A472-L680 HydrophobicContact CB-CD1 4.42Å; A472-L680 HydrophobicContact CB-CD2 4Å; A472-L680 HydrophobicContact CB-CG 4.01Å; L676-L680 HydrophobicContact CD2-CD1 3.5Å; L676-L680 HydrophobicContact CD2-CG 4.27Å; L676-L680 WeakPolarHBondContact O-CA 3.4Å; L676-L680 VanDerWaalsContact O-CB 3.25Å; L676-L680 WeakPolarHBondContact O-CB 3.47Å; L676-L680 PolarHBondContact O-N 3.4Å; L680-N682 PolarHBondContact O-N 3.22Å; L680-E683 PolarHBondContact O-N 3.12Å; L680-I684 WeakPolarHBondContact O-CD1 3.46Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.36Å |
| 681 | V | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -62.1 | -48.1 | -165.1 | -177 | 0 | 0 | 0 | 0 | 111.5 | I345 L436 L676 M677 I684 K685 | I345-V681 HydrophobicContact CG2-CG1 3.73Å; L436-V681 HydrophobicContact CD1-CG2 4.34Å; L436-V681 HydrophobicContact CD2-CG2 4.29Å; L676-V681 PolarHBondContact O-N 3.17Å; M677-V681 HydrophobicContact CE-CB 3.97Å; M677-V681 HydrophobicContact CE-CG1 3.87Å; M677-V681 HydrophobicContact CE-CG2 4.31Å; M677-V681 PolarHBondContact O-N 3.01Å; M677-V681 HydrophobicContact SD-CB 4.04Å; M677-V681 HydrophobicContact SD-CG1 4.35Å; M677-V681 HydrophobicContact SD-CG2 3.73Å; V681-I684 PolarHBondContact O-N 2.82Å; V681-K685 WeakPolarHBondContact O-CG 3.35Å; V681-K685 PolarHBondContact O-N 3.32Å; V681-K685 VanDerWaalsContact O-N 3.11Å |
| 682 | N | 97.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 43.3 Ų | 43.3 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -71.4 | -36.4 | -179.8 | -68.7 | -19.6 | 0 | 0 | 0 | 112.6 | M677 L680 I684 K685 S686 | M677-N682 WeakPolarHBondContact O-CB 3.35Å; M677-N682 VanDerWaalsContact O-CG 3.22Å; M677-N682 PolarHBondContact O-N 2.74Å; M677-N682 PolarHBondContact O-ND2 3.28Å; L680-N682 PolarHBondContact O-N 3.22Å; N682-I684 VanDerWaalsContact C-N 3.34Å; N682-K685 PolarHBondContact O-N 3.14Å; N682-S686 WeakPolarHBondContact O-CB 3.25Å; N682-S686 PolarHBondContact O-N 2.83Å |
| 683 | E | 97.6 | Very high | 97 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66 | -35.7 | 174.9 | -72.4 | -67.3 | 129 | 0 | 0 | 112.3 | W464 R468 M679 L680 F687 | W464-E683 PolarHBondContact NE1-O 3.19Å; R468-E683 HydrophobicContact CG-CB 4.4Å; R468-E683 IonicContact CZ-OE2 3.43Å; R468-E683 IonicContact NE-OE2 3.56Å; R468-E683 IonicContact NH1-OE2 2.83Å; R468-E683 PolarHBondContact NH1-OE2 2.91Å; R468-E683 IonicContact NH2-OE2 3.86Å; R468-E683 PolarHBondContact NH2-OE2 2.85Å; M679-E683 WeakPolarHBondContact O-CG 3.38Å; L680-E683 PolarHBondContact O-N 3.12Å; E683-F687 WeakPolarHBondContact O-CB 3.46Å; E683-F687 PolarHBondContact O-N 3.48Å |
| 684 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -49.5 | 173.3 | -65.3 | 156.5 | 0 | 0 | 0 | 109.6 | F341 L436 V461 I465 L680 V681 N682 S686 F687 L688 | F341-I684 HydrophobicContact CE1-CG2 3.81Å; F341-I684 HydrophobicContact CE2-CG2 4.24Å; F341-I684 HydrophobicContact CZ-CB 4.4Å; F341-I684 HydrophobicContact CZ-CG2 3.55Å; L436-I684 HydrophobicContact CD1-CD1 3.71Å; L436-I684 HydrophobicContact CD2-CD1 4.18Å; L436-I684 HydrophobicContact CG-CD1 4.38Å; V461-I684 HydrophobicContact CG1-CG2 4.49Å; I465-I684 HydrophobicContact CD1-CD1 4.34Å; I465-I684 HydrophobicContact CG1-CD1 3.66Å; I465-I684 HydrophobicContact CG1-CG1 4.02Å; L680-I684 WeakPolarHBondContact O-CD1 3.46Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.36Å; V681-I684 PolarHBondContact O-N 2.82Å; N682-I684 VanDerWaalsContact C-N 3.34Å; I684-S686 VanDerWaalsContact C-N 3.29Å; I684-S686 PolarHBondContact O-N 3.38Å; I684-F687 WeakPolarHBondContact O-CB 3.49Å; I684-F687 PolarHBondContact O-N 3.13Å; I684-F687 VanDerWaalsContact O-N 3.07Å; I684-L688 HydrophobicContact CG2-CD1 4.27Å; I684-L688 HydrophobicContact CG2-CG 4.24Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.5Å |
| 685 | K | 97 | Very high | 96.6 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 10% | 0.1 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.9 | -44.3 | 176.1 | -72.5 | 174.8 | 175 | -172.4 | 0 | 112.4 | F341 D346 V681 N682 F687 L688 K689 | F341-K685 HydrophobicContact CD1-CG 4.34Å; F341-K685 HydrophobicContact CE1-CG 4.03Å; D346-K685 IonicContact OD1-NZ 2.68Å; D346-K685 PolarHBondContact OD1-NZ 3.41Å; D346-K685 IonicContact OD2-NZ 2.68Å; D346-K685 PolarHBondContact OD2-NZ 2.77Å; V681-K685 WeakPolarHBondContact O-CG 3.35Å; V681-K685 PolarHBondContact O-N 3.32Å; V681-K685 VanDerWaalsContact O-N 3.11Å; N682-K685 PolarHBondContact O-N 3.14Å; K685-F687 PolarHBondContact O-N 2.59Å; K685-L688 PolarHBondContact O-N 2.85Å; K685-K689 PolarHBondContact O-N 3.29Å |
| 686 | S | 97.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 54% | 0.538 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.6 | -170 | 0 | 0 | 0 | 0 | 112.1 | N682 I684 K689 G690 | N682-S686 WeakPolarHBondContact O-CB 3.25Å; N682-S686 PolarHBondContact O-N 2.83Å; I684-S686 VanDerWaalsContact C-N 3.29Å; I684-S686 PolarHBondContact O-N 3.38Å; S686-K689 PolarHBondContact O-N 2.78Å; S686-G690 PolarHBondContact O-N 2.86Å; S686-G690 VanDerWaalsContact O-N 3.14Å |
| 687 | F | 98.1 | Very high | 96 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.6 | 176.3 | -91.5 | 0 | 0 | 0 | 112.2 | I460 V461 W464 E683 I684 K685 K689 G690 E691 L692 | I460-F687 HydrophobicContact CG2-CE1 3.86Å; I460-F687 HydrophobicContact CG2-CZ 3.55Å; V461-F687 HydrophobicContact CG2-CE1 4.38Å; W464-F687 HydrophobicContact CB-CD1 4.37Å; W464-F687 HydrophobicContact CB-CE1 4.32Å; W464-F687 HydrophobicContact CB-CZ 4.41Å; W464-F687 AromaticContact CD1-CD1 3.96Å; W464-F687 AromaticContact CD1-CG 3.6Å; W464-F687 HydrophobicContact CD2-CB 4.43Å; W464-F687 AromaticContact CD2-CD2 3.59Å; W464-F687 HydrophobicContact CD2-CD2 3.59Å; W464-F687 AromaticContact CD2-CE2 3.99Å; W464-F687 HydrophobicContact CD2-CE2 3.99Å; W464-F687 AromaticContact CD2-CG 3.99Å; W464-F687 HydrophobicContact CD2-CG 3.99Å; W464-F687 AromaticContact CE2-CD2 3.51Å; W464-F687 AromaticContact CE2-CG 3.77Å; W464-F687 HydrophobicContact CE3-CD2 4.05Å; W464-F687 HydrophobicContact CE3-CE2 4.12Å; W464-F687 HydrophobicContact CG-CB 4.32Å; W464-F687 HydrophobicContact CG-CD1 4.11Å; W464-F687 AromaticContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CD2 3.88Å; W464-F687 HydrophobicContact CG-CE1 4.44Å; W464-F687 HydrophobicContact CG-CE2 4.23Å; W464-F687 AromaticContact CG-CG 3.83Å; W464-F687 HydrophobicContact CG-CG 3.83Å; W464-F687 HydrophobicContact CH2-CD2 4.23Å; W464-F687 HydrophobicContact CZ2-CB 4.2Å; W464-F687 AromaticContact CZ2-CD2 3.8Å; W464-F687 HydrophobicContact CZ2-CD2 3.8Å; W464-F687 HydrophobicContact CZ2-CG 4.35Å; W464-F687 HydrophobicContact CZ3-CD2 4.36Å; W464-F687 AromaticContact NE1-CD2 3.85Å; W464-F687 AromaticContact NE1-CG 3.58Å; E683-F687 WeakPolarHBondContact O-CB 3.46Å; E683-F687 PolarHBondContact O-N 3.48Å; I684-F687 WeakPolarHBondContact O-CB 3.49Å; I684-F687 PolarHBondContact O-N 3.13Å; I684-F687 VanDerWaalsContact O-N 3.07Å; K685-F687 PolarHBondContact O-N 2.59Å; F687-K689 VanDerWaalsContact C-N 3.3Å; F687-K689 PolarHBondContact O-N 3.34Å; F687-G690 PolarHBondContact O-N 2.85Å; F687-E691 HydrophobicContact CD2-CB 3.43Å; F687-E691 VanDerWaalsContact CD2-CB 3.43Å; F687-E691 HydrophobicContact CD2-CG 4.19Å; F687-E691 HydrophobicContact CE2-CB 3.6Å; F687-E691 HydrophobicContact CG-CB 4.14Å; F687-E691 HydrophobicContact CZ-CB 4.42Å; F687-E691 WeakPolarHBondContact O-CA 3.29Å; F687-E691 PolarHBondContact O-N 3.14Å; F687-L692 HydrophobicContact CD1-CB 4.45Å; F687-L692 HydrophobicContact CE1-CB 4.11Å; F687-L692 HydrophobicContact CE1-CD1 4.24Å; F687-L692 PolarHBondContact O-N 3.44Å |
| 688 | L | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 178.1 | -66.1 | -173.1 | 0 | 0 | 0 | 112.3 | F337 E338 F341 V461 I684 K685 L692 | F337-L688 HydrophobicContact CD1-CD2 4.33Å; F337-L688 HydrophobicContact CE1-CD1 4.28Å; F337-L688 HydrophobicContact CE1-CD2 3.57Å; F337-L688 HydrophobicContact CZ-CD2 4.43Å; E338-L688 HydrophobicContact CG-CB 4.27Å; F341-L688 HydrophobicContact CB-CD1 3.67Å; F341-L688 HydrophobicContact CD1-CD1 3.4Å; F341-L688 HydrophobicContact CD2-CD1 4.08Å; F341-L688 HydrophobicContact CE1-CD1 4.03Å; F341-L688 HydrophobicContact CG-CD1 3.43Å; F341-L688 VanDerWaalsContact CG-CD1 3.43Å; V461-L688 HydrophobicContact CG1-CD2 4.22Å; V461-L688 HydrophobicContact CG2-CD2 3.63Å; I684-L688 HydrophobicContact CG2-CD1 4.27Å; I684-L688 HydrophobicContact CG2-CG 4.24Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.5Å; K685-L688 PolarHBondContact O-N 2.85Å; L688-L692 HydrophobicContact CD2-CD2 3.81Å |
| 689 | K | 94.1 | Very high | 95 | Very high | 159 Ų | 159 | 49 Ų | 49 | 69% | 0.691 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -72.9 | -36.2 | -178.5 | -175.3 | 174.5 | -179.6 | 179.8 | 0 | 114.1 | E338 K685 S686 F687 | E338-K689 WeakPolarHBondContact OE1-CB 3.21Å; E338-K689 WeakPolarHBondContact OE1-CG 3.48Å; K685-K689 PolarHBondContact O-N 3.29Å; S686-K689 PolarHBondContact O-N 2.78Å; F687-K689 VanDerWaalsContact C-N 3.3Å; F687-K689 PolarHBondContact O-N 3.34Å |
| 690 | G | 92.4 | Very high | 94 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -111.5 | -42.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S686 F687 P694 | S686-G690 PolarHBondContact O-N 2.86Å; S686-G690 VanDerWaalsContact O-N 3.14Å; F687-G690 PolarHBondContact O-N 2.85Å; G690-P694 WeakPolarHBondContact O-CD 3.29Å |
| 691 | E | 95.7 | Very high | 93.4 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -24.5 | -162.5 | -64.6 | -60.5 | 150 | 0 | 0 | 113.2 | F687 L693 P694 N695 | F687-E691 HydrophobicContact CD2-CB 3.43Å; F687-E691 VanDerWaalsContact CD2-CB 3.43Å; F687-E691 HydrophobicContact CD2-CG 4.19Å; F687-E691 HydrophobicContact CE2-CB 3.6Å; F687-E691 HydrophobicContact CG-CB 4.14Å; F687-E691 HydrophobicContact CZ-CB 4.42Å; F687-E691 WeakPolarHBondContact O-CA 3.29Å; F687-E691 PolarHBondContact O-N 3.14Å; E691-L693 PolarHBondContact O-N 3.15Å; E691-P694 WeakPolarHBondContact O-CD 3.4Å; E691-N695 WeakPolarHBondContact O-CB 3.45Å; E691-N695 PolarHBondContact O-N 3.14Å; E691-N695 PolarHBondContact O-ND2 3.25Å |
| 692 | L | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -48.6 | -178.3 | 174.6 | 60.1 | 0 | 0 | 0 | 112.2 | V334 F337 T457 I460 V461 F687 L688 N695 L696 | V334-L692 HydrophobicContact CG1-CD2 3.96Å; V334-L692 HydrophobicContact CG1-CG 4.28Å; F337-L692 HydrophobicContact CD1-CD2 3.69Å; F337-L692 HydrophobicContact CE1-CD2 3.79Å; T457-L692 HydrophobicContact CG2-CD1 4.3Å; T457-L692 HydrophobicContact CG2-CD2 4.08Å; I460-L692 HydrophobicContact CB-CD1 4.47Å; I460-L692 HydrophobicContact CG2-CD1 4.03Å; V461-L692 HydrophobicContact CG2-CD1 4.01Å; V461-L692 HydrophobicContact CG2-CD2 4.42Å; F687-L692 HydrophobicContact CD1-CB 4.45Å; F687-L692 HydrophobicContact CE1-CB 4.11Å; F687-L692 HydrophobicContact CE1-CD1 4.24Å; F687-L692 PolarHBondContact O-N 3.44Å; L688-L692 HydrophobicContact CD2-CD2 3.81Å; L692-N695 PolarHBondContact O-N 2.76Å; L692-L696 HydrophobicContact CD1-CD1 4Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.95Å; L692-L696 HydrophobicContact CG-CG 4.46Å; L692-L696 WeakPolarHBondContact O-CG 3.14Å; L692-L696 PolarHBondContact O-N 2.97Å |
| 693 | L | 93.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | -177.7 | -178.4 | 67.2 | 0 | 0 | 0 | 112.5 | L330 L331 V334 E691 N695 L696 Y697 | L330-L693 HydrophobicContact CD2-CD1 3.94Å; L330-L693 HydrophobicContact CG-CD1 3.87Å; L331-L693 HydrophobicContact CD1-CD2 3.85Å; V334-L693 HydrophobicContact CG1-CB 4.36Å; V334-L693 HydrophobicContact CG2-CD1 4.19Å; E691-L693 PolarHBondContact O-N 3.15Å; L693-N695 VanDerWaalsContact C-N 3.32Å; L693-N695 PolarHBondContact O-N 3.1Å; L693-L696 PolarHBondContact O-N 3Å; L693-Y697 HydrophobicContact CD1-CD2 4.21Å; L693-Y697 HydrophobicContact CD1-CE2 3.72Å; L693-Y697 HydrophobicContact CD2-CE2 4.26Å; L693-Y697 HydrophobicContact CG-CD2 4.09Å; L693-Y697 HydrophobicContact CG-CE2 3.74Å; L693-Y697 VanDerWaalsContact O-CD2 3.25Å; L693-Y697 WeakPolarHBondContact O-CD2 3.3Å; L693-Y697 PolarHBondContact O-N 2.7Å; L693-Y697 VanDerWaalsContact O-N 3.1Å |
| 694 | P | 93.7 | Very high | 91.7 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.2 | -43 | 169.8 | -28 | 33.5 | 0 | 0 | 0 | 114 | G690 E691 L696 Y697 Q698 | G690-P694 WeakPolarHBondContact O-CD 3.29Å; E691-P694 WeakPolarHBondContact O-CD 3.4Å; P694-L696 VanDerWaalsContact C-N 3.33Å; P694-L696 PolarHBondContact O-N 2.95Å; P694-Y697 PolarHBondContact O-N 3.18Å; P694-Q698 WeakPolarHBondContact O-CG 3.34Å; P694-Q698 PolarHBondContact O-N 2.94Å |
| 695 | N | 94.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.2 | -83.4 | -87.7 | 0 | 0 | 0 | 111.8 | I460 E691 L692 L693 Q698 A699 | I460-N695 HydrophobicContact CD1-CB 4.21Å; I460-N695 HydrophobicContact CG2-CB 4Å; E691-N695 WeakPolarHBondContact O-CB 3.45Å; E691-N695 PolarHBondContact O-N 3.14Å; E691-N695 PolarHBondContact O-ND2 3.25Å; L692-N695 PolarHBondContact O-N 2.76Å; L693-N695 VanDerWaalsContact C-N 3.32Å; L693-N695 PolarHBondContact O-N 3.1Å; N695-Q698 PolarHBondContact O-N 3.32Å; N695-A699 WeakPolarHBondContact O-CB 3.32Å; N695-A699 PolarHBondContact O-N 3.15Å |
| 696 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 174.9 | -74.2 | 168 | 0 | 0 | 0 | 112.3 | L330 V334 L453 E456 I460 L692 L693 P694 Q698 A699 L705 | L330-L696 HydrophobicContact CD1-CD1 4.49Å; V334-L696 HydrophobicContact CG2-CD1 3.54Å; L453-L696 HydrophobicContact CD1-CD1 3.94Å; L453-L696 HydrophobicContact CD1-CD2 3.92Å; L453-L696 HydrophobicContact CD1-CG 4.48Å; E456-L696 HydrophobicContact CB-CD2 4.1Å; I460-L696 HydrophobicContact CD1-CD2 3.78Å; I460-L696 HydrophobicContact CD1-CG 4.2Å; L692-L696 HydrophobicContact CD1-CD1 4Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.95Å; L692-L696 HydrophobicContact CG-CG 4.46Å; L692-L696 WeakPolarHBondContact O-CG 3.14Å; L692-L696 PolarHBondContact O-N 2.97Å; L693-L696 PolarHBondContact O-N 3Å; P694-L696 VanDerWaalsContact C-N 3.33Å; P694-L696 PolarHBondContact O-N 2.95Å; L696-Q698 PolarHBondContact O-N 3.13Å; L696-A699 PolarHBondContact O-N 3.33Å; L696-L705 VanDerWaalsContact O-CD1 3.24Å; L696-L705 WeakPolarHBondContact O-CD1 3.42Å |
| 697 | Y | 90 | Very high | 90.3 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -29 | 174.4 | -81.4 | -67.4 | 0 | 0 | 0 | 113.5 | L330 L693 P694 L702 | L330-Y697 HydrophobicContact CD2-CE1 3.92Å; L330-Y697 HydrophobicContact CD2-CE2 4.17Å; L693-Y697 HydrophobicContact CD1-CD2 4.21Å; L693-Y697 HydrophobicContact CD1-CE2 3.72Å; L693-Y697 HydrophobicContact CD2-CE2 4.26Å; L693-Y697 HydrophobicContact CG-CD2 4.09Å; L693-Y697 HydrophobicContact CG-CE2 3.74Å; L693-Y697 VanDerWaalsContact O-CD2 3.25Å; L693-Y697 WeakPolarHBondContact O-CD2 3.3Å; L693-Y697 PolarHBondContact O-N 2.7Å; L693-Y697 VanDerWaalsContact O-N 3.1Å; P694-Y697 PolarHBondContact O-N 3.18Å; Y697-L702 HydrophobicContact CE1-CD1 4.34Å |
| 698 | Q | 90 | Very high | 89.6 | Confident | 159 Ų | 159 | 53 Ų | 53 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -84.4 | -30.4 | 177.8 | -68.2 | 177.7 | 12.6 | 0 | 0 | 112.8 | P694 N695 L696 G700 | P694-Q698 WeakPolarHBondContact O-CG 3.34Å; P694-Q698 PolarHBondContact O-N 2.94Å; N695-Q698 PolarHBondContact O-N 3.32Å; L696-Q698 PolarHBondContact O-N 3.13Å; Q698-G700 PolarHBondContact O-N 3.12Å |
| 699 | A | 85 | Confident | 89.1 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.3 | -26.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I460 N695 L696 | I460-A699 HydrophobicContact CD1-CB 3.99Å; N695-A699 WeakPolarHBondContact O-CB 3.32Å; N695-A699 PolarHBondContact O-N 3.15Å; L696-A699 PolarHBondContact O-N 3.33Å |
| 700 | G | 76.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -165.3 | 169.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q698 | Q698-G700 PolarHBondContact O-N 3.12Š|
| 701 | D | 85.3 | Confident | 88 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | trans | -66.3 | 135.1 | 171 | 177.6 | 35.6 | 0 | 0 | 0 | 110.4 | N703 S704 L705 | D701-N703 PolarHBondContact O-N 3.26Å; D701-N703 VanDerWaalsContact O-N 3.13Å; D701-N703 VanDerWaalsContact OD2-CB 3.3Å; D701-N703 WeakPolarHBondContact OD2-CB 3.48Å; D701-N703 PolarHBondContact OD2-ND2 3.38Å; D701-S704 WeakPolarHBondContact O-CB 3.48Å; D701-S704 PolarHBondContact O-N 2.98Å; D701-L705 PolarHBondContact O-N 2.91Å | ||
| 702 | L | 85.1 | Confident | 87.3 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.2 | -35.5 | 179.8 | -180 | 65.2 | 0 | 0 | 0 | 111.6 | K326 L330 Y697 M706 | K326-L702 HydrophobicContact CB-CD1 4.35Å; K326-L702 HydrophobicContact CB-CD2 4.04Å; K326-L702 HydrophobicContact CB-CG 4.05Å; L330-L702 HydrophobicContact CB-CD1 4.41Å; L330-L702 HydrophobicContact CD2-CD1 3.67Å; Y697-L702 HydrophobicContact CE1-CD1 4.34Å; L702-M706 HydrophobicContact CD1-CG 3.82Å; L702-M706 HydrophobicContact CG-CG 4.5Å; L702-M706 WeakPolarHBondContact O-CB 3.37Å; L702-M706 WeakPolarHBondContact O-CG 3.3Å; L702-M706 PolarHBondContact O-N 3.14Å |
| 703 | N | 83.9 | Confident | 86.5 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.2 | -35.2 | 178.9 | -59.6 | -62.6 | 0 | 0 | 0 | 113.1 | K326 D701 | K326-N703 PolarHBondContact NZ-OD1 3.35Å; D701-N703 PolarHBondContact O-N 3.26Å; D701-N703 VanDerWaalsContact O-N 3.13Å; D701-N703 VanDerWaalsContact OD2-CB 3.3Å; D701-N703 WeakPolarHBondContact OD2-CB 3.48Å; D701-N703 PolarHBondContact OD2-ND2 3.38Å |
| 704 | S | 86.6 | Confident | 86 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.5 | -50.4 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | R452 D701 M706 S707 | R452-S704 VanDerWaalsContact CD-O 3.27Å; R452-S704 WeakPolarHBondContact CD-O 3.5Å; R452-S704 PolarHBondContact NH1-OG 3.26Å; D701-S704 WeakPolarHBondContact O-CB 3.48Å; D701-S704 PolarHBondContact O-N 2.98Å; S704-M706 VanDerWaalsContact C-N 3.34Å; S704-M706 PolarHBondContact O-N 3.4Å; S704-S707 WeakPolarHBondContact O-CB 3.27Å; S704-S707 PolarHBondContact O-N 3.23Å; S704-S707 PolarHBondContact O-OG 3.5Å |
| 705 | L | 88.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | -179 | -72.4 | 167.3 | 0 | 0 | 0 | 112 | L453 E456 L696 D701 S707 | L453-L705 WeakPolarHBondContact CB-O 3.17Å; L453-L705 PolarHBondContact N-O 2.71Å; E456-L705 HydrophobicContact CB-CD2 3.88Å; E456-L705 HydrophobicContact CG-CD2 3.72Å; L696-L705 VanDerWaalsContact O-CD1 3.24Å; L696-L705 WeakPolarHBondContact O-CD1 3.42Å; D701-L705 PolarHBondContact O-N 2.91Å; L705-S707 PolarHBondContact O-N 2.99Å |
| 706 | M | 88.1 | Confident | 84.8 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 31.3 | -179 | -58.4 | -57.5 | -63.1 | 0 | 0 | 112.8 | K326 A329 L330 F450 L453 L702 S704 | K326-M706 HydrophobicContact CB-CB 4.2Å; K326-M706 HydrophobicContact CB-CG 4.13Å; K326-M706 HydrophobicContact CD-CB 3.96Å; K326-M706 HydrophobicContact CG-CB 3.88Å; K326-M706 HydrophobicContact CG-CG 4.38Å; A329-M706 HydrophobicContact CB-CE 3.56Å; L330-M706 HydrophobicContact CB-CE 4.29Å; L330-M706 HydrophobicContact CB-CG 4.38Å; L330-M706 HydrophobicContact CB-SD 3.74Å; L330-M706 HydrophobicContact CD1-SD 3.94Å; L330-M706 HydrophobicContact CG-SD 4.4Å; F450-M706 HydrophobicContact CD1-CE 3.91Å; F450-M706 HydrophobicContact CD2-CE 3.92Å; F450-M706 HydrophobicContact CE1-CE 3.7Å; F450-M706 HydrophobicContact CE2-CE 3.7Å; F450-M706 HydrophobicContact CG-CE 4.02Å; F450-M706 HydrophobicContact CG-SD 4.49Å; F450-M706 HydrophobicContact CZ-CE 3.59Å; L453-M706 HydrophobicContact CD2-SD 3.8Å; L702-M706 HydrophobicContact CD1-CG 3.82Å; L702-M706 HydrophobicContact CG-CG 4.5Å; L702-M706 WeakPolarHBondContact O-CB 3.37Å; L702-M706 WeakPolarHBondContact O-CG 3.3Å; L702-M706 PolarHBondContact O-N 3.14Å; S704-M706 VanDerWaalsContact C-N 3.34Å; S704-M706 PolarHBondContact O-N 3.4Å |
| 707 | S | 86.1 | Confident | 84.2 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 128.9 | 170 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | S704 L705 | S704-S707 WeakPolarHBondContact O-CB 3.27Å; S704-S707 PolarHBondContact O-N 3.23Å; S704-S707 PolarHBondContact O-OG 3.5Å; L705-S707 PolarHBondContact O-N 2.99Å |
| 708 | E | 84.7 | Confident | 83.8 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 150.5 | 176.6 | -65.6 | -173 | 155.6 | 0 | 0 | 111.1 | Y318 N449 F450 R716 | Y318-E708 WeakPolarHBondContact CE1-OE1 3.13Å; Y318-E708 WeakPolarHBondContact CE2-OE1 3.16Å; Y318-E708 WeakPolarHBondContact OH-CG 3.49Å; Y318-E708 PolarHBondContact OH-OE1 3.45Å; N449-E708 CarbonylContact O-C 3.55Å; N449-E708 WeakPolarHBondContact O-CA 3.41Å; F450-E708 HydrophobicContact CE1-CG 4.42Å; E708-R716 IonicContact OE2-NE 3.24Å; E708-R716 IonicContact OE2-NH2 3.98Å |
| 709 | S | 86.1 | Confident | 83.4 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 150.6 | 167.5 | 78.1 | 0 | 0 | 0 | 0 | 111.2 | E448 N449 G711 V712 Q713 | E448-S709 WeakPolarHBondContact O-CB 3.29Å; N449-S709 PolarHBondContact O-N 3.45Å; S709-G711 PolarHBondContact O-N 3.19Å; S709-V712 PolarHBondContact O-N 3.07Å; S709-V712 VanDerWaalsContact O-N 3.15Å; S709-V712 VanDerWaalsContact OG-CG2 3.3Å; S709-V712 WeakPolarHBondContact OG-CG2 3.43Å; S709-V712 PolarHBondContact OG-N 3.3Å; S709-Q713 PolarHBondContact O-N 2.71Å |
| 710 | L | 82.3 | Confident | 83.4 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.3 | -35.9 | 176.8 | -118.5 | 151.2 | 0 | 0 | 0 | 111.9 | Q714 | L710-Q714 HydrophobicContact CD2-CG 4.39Å; L710-Q714 WeakPolarHBondContact O-CB 3.5Å; L710-Q714 WeakPolarHBondContact O-CG 3.32Å; L710-Q714 PolarHBondContact O-N 2.76Å |
| 711 | G | 80.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 46% | 0.464 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S709 K715 | S709-G711 PolarHBondContact O-N 3.19Å; G711-K715 VanDerWaalsContact O-CB 3.3Å; G711-K715 WeakPolarHBondContact O-CB 3.43Å; G711-K715 PolarHBondContact O-N 3.26Å |
| 712 | V | 81.6 | Confident | 83.5 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | N449 S709 K715 R716 | N449-V712 HydrophobicContact CB-CG2 4.34Å; N449-V712 VanDerWaalsContact OD1-CG2 3.24Å; N449-V712 WeakPolarHBondContact OD1-CG2 3.47Å; S709-V712 PolarHBondContact O-N 3.07Å; S709-V712 VanDerWaalsContact O-N 3.15Å; S709-V712 VanDerWaalsContact OG-CG2 3.3Å; S709-V712 WeakPolarHBondContact OG-CG2 3.43Å; S709-V712 PolarHBondContact OG-N 3.3Å; V712-K715 PolarHBondContact O-N 3.02Å; V712-R716 WeakPolarHBondContact O-CB 3.47Å; V712-R716 PolarHBondContact O-N 2.99Å |
| 713 | Q | 80.4 | Confident | 83.5 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 176.2 | 178.9 | 169.8 | 24.5 | 0 | 0 | 111.7 | S709 R716 D717 | S709-Q713 PolarHBondContact O-N 2.71Å; Q713-R716 PolarHBondContact O-N 3.01Å; Q713-D717 WeakPolarHBondContact O-CB 3.43Å; Q713-D717 VanDerWaalsContact O-CG 3.25Å; Q713-D717 PolarHBondContact O-N 3.44Å |
| 714 | Q | 82.3 | Confident | 83.5 | Confident | 118 Ų | 118 | 55.2 Ų | 55.2 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 177.8 | -76.7 | 173.3 | -8.7 | 0 | 0 | 111.8 | L710 R716 D717 E718 | L710-Q714 HydrophobicContact CD2-CG 4.39Å; L710-Q714 WeakPolarHBondContact O-CB 3.5Å; L710-Q714 WeakPolarHBondContact O-CG 3.32Å; L710-Q714 PolarHBondContact O-N 2.76Å; Q714-R716 VanDerWaalsContact C-N 3.32Å; Q714-R716 PolarHBondContact O-N 3.47Å; Q714-D717 PolarHBondContact O-N 3.35Å; Q714-E718 VanDerWaalsContact O-CB 3.24Å; Q714-E718 WeakPolarHBondContact O-CB 3.46Å; Q714-E718 PolarHBondContact O-N 2.88Å |
| 715 | K | 80.3 | Confident | 83.3 | Confident | 126 Ų | 126 | 53.3 Ų | 53.3 | 55% | 0.548 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 177.4 | -174.8 | -179.2 | 179.3 | -175.7 | 0 | 111.6 | G711 V712 M719 | G711-K715 VanDerWaalsContact O-CB 3.3Å; G711-K715 WeakPolarHBondContact O-CB 3.43Å; G711-K715 PolarHBondContact O-N 3.26Å; V712-K715 PolarHBondContact O-N 3.02Å; K715-M719 VanDerWaalsContact O-CB 3.28Å; K715-M719 WeakPolarHBondContact O-CB 3.38Å; K715-M719 PolarHBondContact O-N 2.9Å |
| 716 | R | 83.1 | Confident | 83.1 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 176 | -179.6 | 172.8 | 56.3 | 54.2 | 10.5 | 111.2 | Y315 E708 V712 Q713 Q714 E718 M719 V720 | Y315-R716 HydrophobicContact CD1-CB 4.29Å; Y315-R716 HydrophobicContact CD1-CG 3.54Å; Y315-R716 HydrophobicContact CD2-CG 3.92Å; Y315-R716 HydrophobicContact CE1-CB 4.28Å; Y315-R716 HydrophobicContact CE1-CG 4.04Å; Y315-R716 HydrophobicContact CE2-CB 4.5Å; Y315-R716 HydrophobicContact CE2-CG 4.37Å; Y315-R716 HydrophobicContact CG-CB 4.41Å; Y315-R716 HydrophobicContact CG-CG 3.49Å; Y315-R716 VanDerWaalsContact CG-CG 3.49Å; E708-R716 IonicContact OE2-NE 3.24Å; E708-R716 IonicContact OE2-NH2 3.98Å; V712-R716 WeakPolarHBondContact O-CB 3.47Å; V712-R716 PolarHBondContact O-N 2.99Å; Q713-R716 PolarHBondContact O-N 3.01Å; Q714-R716 VanDerWaalsContact C-N 3.32Å; Q714-R716 PolarHBondContact O-N 3.47Å; R716-E718 VanDerWaalsContact C-N 3.32Å; R716-E718 PolarHBondContact O-N 2.69Å; R716-M719 PolarHBondContact O-N 3.43Å; R716-V720 VanDerWaalsContact O-CG2 3.31Å; R716-V720 WeakPolarHBondContact O-CG2 3.47Å; R716-V720 PolarHBondContact O-N 3Å |
| 717 | D | 81.7 | Confident | 83 | Confident | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | -178.4 | -67 | -16.4 | 0 | 0 | 0 | 111.8 | Q713 Q714 R721 | Q713-D717 WeakPolarHBondContact O-CB 3.43Å; Q713-D717 VanDerWaalsContact O-CG 3.25Å; Q713-D717 PolarHBondContact O-N 3.44Å; Q714-D717 PolarHBondContact O-N 3.35Å; D717-R721 WeakPolarHBondContact O-CB 3.39Å; D717-R721 PolarHBondContact O-N 2.99Å; D717-R721 VanDerWaalsContact O-N 3.11Å |
| 718 | E | 81.7 | Confident | 82.9 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -48.4 | 174.1 | -176.4 | 176.7 | -168.5 | 0 | 0 | 111.7 | Q714 R716 V720 R721 V722 | Q714-E718 VanDerWaalsContact O-CB 3.24Å; Q714-E718 WeakPolarHBondContact O-CB 3.46Å; Q714-E718 PolarHBondContact O-N 2.88Å; R716-E718 VanDerWaalsContact C-N 3.32Å; R716-E718 PolarHBondContact O-N 2.69Å; E718-V720 VanDerWaalsContact C-N 3.34Å; E718-V720 PolarHBondContact O-N 3.18Å; E718-R721 WeakPolarHBondContact O-CB 3.43Å; E718-R721 PolarHBondContact O-N 3.49Å; E718-R721 VanDerWaalsContact O-N 3.14Å; E718-V722 HydrophobicContact CG-CG2 4.19Å; E718-V722 WeakPolarHBondContact O-CG2 3.37Å; E718-V722 PolarHBondContact O-N 3.23Å |
| 719 | M | 82.5 | Confident | 82.8 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 178.7 | -172.3 | 106.9 | 80.3 | 0 | 0 | 111.9 | M308 E311 V312 Y315 K715 R716 V722 Y723 | M308-M719 HydrophobicContact CE-CG 3.69Å; M308-M719 WeakPolarHBondContact CE-O 3.39Å; M308-M719 HydrophobicContact CE-SD 3.8Å; E311-M719 HydrophobicContact CB-CE 4.12Å; E311-M719 WeakPolarHBondContact OE2-CE 3.42Å; V312-M719 HydrophobicContact CG2-CG 3.55Å; Y315-M719 HydrophobicContact CD2-CE 4.48Å; Y315-M719 HydrophobicContact CD2-CG 4.48Å; Y315-M719 HydrophobicContact CE2-CB 4.49Å; Y315-M719 HydrophobicContact CE2-CE 3.63Å; Y315-M719 HydrophobicContact CE2-CG 4.41Å; K715-M719 VanDerWaalsContact O-CB 3.28Å; K715-M719 WeakPolarHBondContact O-CB 3.38Å; K715-M719 PolarHBondContact O-N 2.9Å; R716-M719 PolarHBondContact O-N 3.43Å; M719-V722 PolarHBondContact O-N 3.3Å; M719-Y723 WeakPolarHBondContact O-CB 3.45Å; M719-Y723 PolarHBondContact O-N 3.38Å |
| 720 | V | 84.4 | Confident | 82.8 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.9 | 174 | 0 | 0 | 0 | 0 | 110.5 | V312 R716 E718 Y723 D724 | V312-V720 HydrophobicContact CG1-CG2 4.29Å; R716-V720 VanDerWaalsContact O-CG2 3.31Å; R716-V720 WeakPolarHBondContact O-CG2 3.47Å; R716-V720 PolarHBondContact O-N 3Å; E718-V720 VanDerWaalsContact C-N 3.34Å; E718-V720 PolarHBondContact O-N 3.18Å; V720-Y723 PolarHBondContact O-N 3.36Å; V720-D724 PolarHBondContact O-N 3.06Å |
| 721 | R | 81.4 | Confident | 83 | Confident | 125 Ų | 125 | 57 Ų | 57 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.7 | -170 | -175.3 | -56 | 157.5 | 5.5 | 112.3 | L24 V26 D717 E718 D724 A725 | L24-R721 HydrophobicContact CD2-CG 4.33Å; L24-R721 WeakPolarHBondContact O-CD 3.48Å; V26-R721 HydrophobicContact CG2-CG 4.15Å; D717-R721 WeakPolarHBondContact O-CB 3.39Å; D717-R721 PolarHBondContact O-N 2.99Å; D717-R721 VanDerWaalsContact O-N 3.11Å; E718-R721 WeakPolarHBondContact O-CB 3.43Å; E718-R721 PolarHBondContact O-N 3.49Å; E718-R721 VanDerWaalsContact O-N 3.14Å; R721-D724 PolarHBondContact O-N 3.36Å; R721-A725 WeakPolarHBondContact O-CB 3.44Å; R721-A725 PolarHBondContact O-N 2.79Å |
| 722 | V | 82.2 | Confident | 83.1 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | V26 L28 M308 E718 M719 A725 M726 | V26-V722 HydrophobicContact CB-CG2 4.36Å; V26-V722 HydrophobicContact CG1-CB 4.35Å; V26-V722 HydrophobicContact CG1-CG1 4.49Å; V26-V722 HydrophobicContact CG1-CG2 3.38Å; V26-V722 HydrophobicContact CG2-CG2 4Å; L28-V722 HydrophobicContact CD1-CG1 4.49Å; L28-V722 HydrophobicContact CD2-CG1 4.12Å; L28-V722 HydrophobicContact CG-CG1 4.42Å; M308-V722 HydrophobicContact CE-CB 3.94Å; M308-V722 HydrophobicContact CE-CG1 3.79Å; M308-V722 HydrophobicContact SD-CG1 4.06Å; E718-V722 HydrophobicContact CG-CG2 4.19Å; E718-V722 WeakPolarHBondContact O-CG2 3.37Å; E718-V722 PolarHBondContact O-N 3.23Å; M719-V722 PolarHBondContact O-N 3.3Å; V722-A725 VanDerWaalsContact O-CB 3.31Å; V722-A725 WeakPolarHBondContact O-CB 3.46Å; V722-A725 PolarHBondContact O-N 3.38Å; V722-M726 HydrophobicContact CG1-CE 3.72Å; V722-M726 WeakPolarHBondContact O-CG 3.37Å; V722-M726 PolarHBondContact O-N 2.63Å |
| 723 | Y | 85.8 | Confident | 83.1 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 177.7 | 172.1 | -86.5 | 0 | 0 | 0 | 112.1 | M305 M308 E309 V312 M719 V720 A725 M726 K727 | M305-Y723 HydrophobicContact CG-CD2 3.89Å; M305-Y723 HydrophobicContact CG-CE2 3.64Å; M308-Y723 HydrophobicContact CB-CD2 4.47Å; E309-Y723 HydrophobicContact CB-CE2 3.87Å; E309-Y723 HydrophobicContact CG-CE2 4.01Å; E309-Y723 PolarHBondContact OE1-OH 3.36Å; V312-Y723 HydrophobicContact CB-CD2 4.34Å; V312-Y723 HydrophobicContact CB-CG 4.18Å; V312-Y723 HydrophobicContact CG1-CD1 3.79Å; V312-Y723 HydrophobicContact CG1-CD2 4.4Å; V312-Y723 HydrophobicContact CG1-CE1 4.32Å; V312-Y723 HydrophobicContact CG1-CG 3.84Å; V312-Y723 HydrophobicContact CG2-CD2 4.3Å; V312-Y723 HydrophobicContact CG2-CG 4.06Å; M719-Y723 WeakPolarHBondContact O-CB 3.45Å; M719-Y723 PolarHBondContact O-N 3.38Å; V720-Y723 PolarHBondContact O-N 3.36Å; Y723-A725 VanDerWaalsContact C-N 3.26Å; Y723-A725 PolarHBondContact O-N 3.22Å; Y723-M726 PolarHBondContact O-N 2.84Å; Y723-K727 HydrophobicContact CE1-CD 4.39Å; Y723-K727 PolarHBondContact O-N 2.92Å |
| 724 | D | 83.5 | Confident | 83.1 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 178.3 | -68.8 | -24.4 | 0 | 0 | 0 | 110.8 | K316 V720 R721 K727 E728 | K316-D724 IonicContact NZ-OD1 3.53Å; K316-D724 PolarHBondContact NZ-OD1 3.4Å; V720-D724 PolarHBondContact O-N 3.06Å; R721-D724 PolarHBondContact O-N 3.36Å; D724-K727 PolarHBondContact O-N 2.66Å; D724-E728 PolarHBondContact O-N 2.84Å |
| 725 | A | 81.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L24 L28 R721 V722 Y723 K727 E728 A729 | L24-A725 HydrophobicContact CD1-CB 3.21Å; L24-A725 HydrophobicContact CG-CB 4.28Å; L28-A725 HydrophobicContact CD1-CB 3.73Å; R721-A725 WeakPolarHBondContact O-CB 3.44Å; R721-A725 PolarHBondContact O-N 2.79Å; V722-A725 VanDerWaalsContact O-CB 3.31Å; V722-A725 WeakPolarHBondContact O-CB 3.46Å; V722-A725 PolarHBondContact O-N 3.38Å; Y723-A725 VanDerWaalsContact C-N 3.26Å; Y723-A725 PolarHBondContact O-N 3.22Å; A725-K727 VanDerWaalsContact C-N 3.26Å; A725-K727 PolarHBondContact O-N 2.91Å; A725-E728 PolarHBondContact O-N 3.38Å; A725-A729 WeakPolarHBondContact O-CB 3.31Å; A725-A729 PolarHBondContact O-N 3.06Å |
| 726 | M | 84 | Confident | 82.2 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 177.7 | -70 | 179.7 | -179.1 | 0 | 0 | 111.1 | L28 L301 Q304 M305 M308 V722 Y723 A729 L730 | L28-M726 HydrophobicContact CD2-CE 3.44Å; L28-M726 VanDerWaalsContact CD2-CE 3.44Å; L28-M726 HydrophobicContact CD2-CG 4.04Å; L301-M726 HydrophobicContact CD2-CG 4.14Å; Q304-M726 HydrophobicContact CB-CE 3.66Å; Q304-M726 HydrophobicContact CB-SD 3.84Å; M305-M726 HydrophobicContact CB-CB 4.16Å; M305-M726 HydrophobicContact CB-SD 4.14Å; M305-M726 HydrophobicContact CG-CB 4.4Å; M308-M726 HydrophobicContact SD-CE 3.99Å; M308-M726 HydrophobicContact SD-SD 4.23Å; V722-M726 HydrophobicContact CG1-CE 3.72Å; V722-M726 WeakPolarHBondContact O-CG 3.37Å; V722-M726 PolarHBondContact O-N 2.63Å; Y723-M726 PolarHBondContact O-N 2.84Å; M726-A729 PolarHBondContact O-N 2.97Å; M726-L730 WeakPolarHBondContact O-CB 3.43Å; M726-L730 WeakPolarHBondContact O-CG 3.24Å; M726-L730 PolarHBondContact O-N 3.45Å |
| 727 | K | 86.5 | Confident | 81.2 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 177.5 | -169 | 172.3 | -175.1 | 167.9 | 0 | 112 | M305 Y723 D724 A725 A729 L730 N731 | M305-K727 HydrophobicContact SD-CB 4.39Å; Y723-K727 HydrophobicContact CE1-CD 4.39Å; Y723-K727 PolarHBondContact O-N 2.92Å; D724-K727 PolarHBondContact O-N 2.66Å; A725-K727 VanDerWaalsContact C-N 3.26Å; A725-K727 PolarHBondContact O-N 2.91Å; K727-A729 VanDerWaalsContact C-N 3.34Å; K727-L730 PolarHBondContact O-N 3.27Å; K727-N731 VanDerWaalsContact O-CG 3.24Å; K727-N731 PolarHBondContact O-N 3.06Å; K727-N731 PolarHBondContact O-ND2 3.18Å |
| 728 | E | 83.9 | Confident | 80.2 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.2 | -174.5 | 176.4 | -177.4 | 0 | 0 | 111.4 | D724 A725 L730 N731 I732 | D724-E728 PolarHBondContact O-N 2.84Å; A725-E728 PolarHBondContact O-N 3.38Å; E728-L730 PolarHBondContact O-N 3.45Å; E728-N731 WeakPolarHBondContact O-CB 3.45Å; E728-N731 PolarHBondContact O-N 2.93Å; E728-I732 HydrophobicContact CG-CD1 4.21Å; E728-I732 WeakPolarHBondContact O-CG1 3.2Å; E728-I732 PolarHBondContact O-N 3.23Å |
| 729 | A | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L17 F21 L301 A725 M726 K727 N731 I732 I733 | L17-A729 HydrophobicContact CD2-CB 3.69Å; L17-A729 WeakPolarHBondContact CD2-O 3.36Å; F21-A729 HydrophobicContact CE1-CB 3.82Å; F21-A729 HydrophobicContact CE2-CB 4.14Å; F21-A729 HydrophobicContact CZ-CB 3.27Å; L301-A729 HydrophobicContact CD1-CB 4.19Å; A725-A729 WeakPolarHBondContact O-CB 3.31Å; A725-A729 PolarHBondContact O-N 3.06Å; M726-A729 PolarHBondContact O-N 2.97Å; K727-A729 VanDerWaalsContact C-N 3.34Å; A729-N731 VanDerWaalsContact C-N 3.3Å; A729-N731 PolarHBondContact O-N 3.44Å; A729-I732 PolarHBondContact O-N 2.79Å; A729-I733 VanDerWaalsContact O-CG1 3.3Å; A729-I733 WeakPolarHBondContact O-CG1 3.45Å; A729-I733 PolarHBondContact O-N 2.81Å |
| 730 | L | 86.6 | Confident | 78.2 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 175.9 | -75.3 | 168 | 0 | 0 | 0 | 112.1 | R298 L301 Q302 M305 M726 K727 E728 I733 S734 | R298-L730 HydrophobicContact CG-CD2 4.02Å; L301-L730 HydrophobicContact CB-CD2 3.9Å; L301-L730 HydrophobicContact CB-CG 4.18Å; Q302-L730 HydrophobicContact CB-CD1 4.37Å; Q302-L730 HydrophobicContact CB-CD2 4.24Å; M305-L730 HydrophobicContact CB-CD1 4.36Å; M305-L730 HydrophobicContact CE-CD1 4.03Å; M305-L730 HydrophobicContact SD-CD1 3.55Å; M305-L730 VanDerWaalsContact SD-CD1 3.55Å; M726-L730 WeakPolarHBondContact O-CB 3.43Å; M726-L730 WeakPolarHBondContact O-CG 3.24Å; M726-L730 PolarHBondContact O-N 3.45Å; K727-L730 PolarHBondContact O-N 3.27Å; E728-L730 PolarHBondContact O-N 3.45Å; L730-I733 PolarHBondContact O-N 2.82Å; L730-S734 WeakPolarHBondContact O-CB 3.28Å; L730-S734 PolarHBondContact O-N 2.95Å |
| 731 | N | 86.3 | Confident | 76.9 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.2 | -70.7 | -20.5 | 0 | 0 | 0 | 110.8 | K727 E728 A729 I733 S734 E735 | K727-N731 VanDerWaalsContact O-CG 3.24Å; K727-N731 PolarHBondContact O-N 3.06Å; K727-N731 PolarHBondContact O-ND2 3.18Å; E728-N731 WeakPolarHBondContact O-CB 3.45Å; E728-N731 PolarHBondContact O-N 2.93Å; A729-N731 VanDerWaalsContact C-N 3.3Å; A729-N731 PolarHBondContact O-N 3.44Å; N731-I733 VanDerWaalsContact C-N 3.31Å; N731-I733 PolarHBondContact O-N 3.14Å; N731-S734 WeakPolarHBondContact O-CB 3.09Å; N731-S734 PolarHBondContact O-N 3.37Å; N731-S734 PolarHBondContact O-OG 2.87Å; N731-E735 PolarHBondContact O-N 2.85Å |
| 732 | I | 81.7 | Confident | 76 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 176.3 | -66.6 | 164.1 | 0 | 0 | 0 | 110.9 | L13 R16 L17 A20 E728 A729 S734 E735 | L13-I732 HydrophobicContact CD1-CG2 4.32Å; L13-I732 VanDerWaalsContact CD1-O 3.27Å; L13-I732 WeakPolarHBondContact CD1-O 3.34Å; L13-I732 HydrophobicContact CG-CG2 4.05Å; R16-I732 HydrophobicContact CB-CD1 4.29Å; R16-I732 HydrophobicContact CB-CG2 4.01Å; L17-I732 HydrophobicContact CD2-CB 3.93Å; L17-I732 HydrophobicContact CD2-CD1 4.21Å; L17-I732 HydrophobicContact CD2-CG2 3.92Å; L17-I732 HydrophobicContact CG-CG2 3.99Å; A20-I732 HydrophobicContact CB-CD1 4.12Å; E728-I732 HydrophobicContact CG-CD1 4.21Å; E728-I732 WeakPolarHBondContact O-CG1 3.2Å; E728-I732 PolarHBondContact O-N 3.23Å; A729-I732 PolarHBondContact O-N 2.79Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 3.39Å; I732-E735 PolarHBondContact O-N 3.48Å |
| 733 | I | 82.2 | Confident | 75 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 178.1 | -67.2 | 170.3 | 0 | 0 | 0 | 111.5 | L17 L294 R298 L301 A729 L730 N731 E735 | L17-I733 HydrophobicContact CD1-CD1 4.24Å; L17-I733 HydrophobicContact CD1-CG1 3.89Å; L17-I733 HydrophobicContact CD2-CD1 4.46Å; L17-I733 HydrophobicContact CD2-CG1 4.13Å; L294-I733 HydrophobicContact CD1-CD1 4.24Å; L294-I733 HydrophobicContact CD1-CG1 4.1Å; L294-I733 HydrophobicContact CD1-CG2 4.45Å; L294-I733 HydrophobicContact CG-CG2 4.44Å; R298-I733 HydrophobicContact CB-CD1 4.49Å; R298-I733 HydrophobicContact CB-CG2 4.16Å; R298-I733 HydrophobicContact CG-CG2 4.11Å; L301-I733 HydrophobicContact CD1-CD1 3.67Å; A729-I733 VanDerWaalsContact O-CG1 3.3Å; A729-I733 WeakPolarHBondContact O-CG1 3.45Å; A729-I733 PolarHBondContact O-N 2.81Å; L730-I733 PolarHBondContact O-N 2.82Å; N731-I733 VanDerWaalsContact C-N 3.31Å; N731-I733 PolarHBondContact O-N 3.14Å; I733-E735 VanDerWaalsContact C-N 3.28Å; I733-E735 PolarHBondContact O-N 2.95Å |
| 734 | S | 81.4 | Confident | 73.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.5 | -20.2 | -177.8 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | L730 N731 I732 V736 | L730-S734 WeakPolarHBondContact O-CB 3.28Å; L730-S734 PolarHBondContact O-N 2.95Å; N731-S734 WeakPolarHBondContact O-CB 3.09Å; N731-S734 PolarHBondContact O-N 3.37Å; N731-S734 PolarHBondContact O-OG 2.87Å; I732-S734 VanDerWaalsContact C-N 3.27Å; I732-S734 PolarHBondContact O-N 3.39Å; S734-V736 VanDerWaalsContact C-N 3.33Å; S734-V736 PolarHBondContact O-N 3.45Å |
| 735 | E | 74.3 | Confident | 72.6 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.2 | -176.8 | -70.5 | 176 | -158.5 | 0 | 0 | 113.8 | R16 N731 I732 I733 | R16-E735 IonicContact CZ-OE2 3.24Å; R16-E735 VanDerWaalsContact CZ-OE2 3.27Å; R16-E735 IonicContact NH1-OE2 2.84Å; R16-E735 PolarHBondContact NH1-OE2 3.16Å; R16-E735 IonicContact NH2-OE1 2.86Å; R16-E735 PolarHBondContact NH2-OE1 3.12Å; R16-E735 IonicContact NH2-OE2 2.69Å; R16-E735 PolarHBondContact NH2-OE2 2.94Å; N731-E735 PolarHBondContact O-N 2.85Å; I732-E735 PolarHBondContact O-N 3.48Å; I733-E735 VanDerWaalsContact C-N 3.28Å; I733-E735 PolarHBondContact O-N 2.95Å |
| 736 | V | 69 | Low | 71.5 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.17 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -110.4 | 123.6 | -176.3 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | Q9 L10 L13 S734 M738 | Q9-V736 HydrophobicContact CB-CG1 4.48Å; Q9-V736 HydrophobicContact CB-CG2 4.36Å; L10-V736 HydrophobicContact CD2-CG1 4.07Å; L13-V736 HydrophobicContact CB-CG2 4.36Å; L13-V736 HydrophobicContact CD1-CB 3.65Å; L13-V736 HydrophobicContact CD1-CG2 3.3Å; L13-V736 HydrophobicContact CG-CG2 4.47Å; S734-V736 VanDerWaalsContact C-N 3.33Å; S734-V736 PolarHBondContact O-N 3.45Å; V736-M738 PolarHBondContact O-N 2.82Å |
| 737 | S | 61.3 | Low | 70.4 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | trans | -67 | 125 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | S739 | S737-S739 PolarHBondContact O-N 2.88Å; S737-S739 PolarHBondContact OG-N 3.22Å; S737-S739 PolarHBondContact OG-OG 2.99Å | ||
| 738 | M | 61.7 | Low | 69.2 | Low | 63 Ų | 63 | 65 Ų | 65 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | trans | -76.7 | 5.3 | 176.7 | -63.6 | -167.3 | 133.1 | 0 | 0 | 114.2 | L294 P295 V736 T740 | L294-M738 HydrophobicContact CB-CE 3.45Å; L294-M738 VanDerWaalsContact CB-CE 3.45Å; L294-M738 HydrophobicContact CD2-CE 3.36Å; L294-M738 HydrophobicContact CG-CE 3.3Å; P295-M738 HydrophobicContact CG-CE 3.83Å; P295-M738 HydrophobicContact CG-SD 3.92Å; V736-M738 PolarHBondContact O-N 2.82Å; M738-T740 VanDerWaalsContact C-N 3.31Å; M738-T740 PolarHBondContact O-N 2.66Å | ||
| 739 | S | 58.3 | Low | 68.1 | Low | 97 Ų | 97 | 63.1 Ų | 63.1 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | trans | -77.2 | 75.5 | 176.9 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | S737 | S737-S739 PolarHBondContact O-N 2.88Å; S737-S739 PolarHBondContact OG-N 3.22Å; S737-S739 PolarHBondContact OG-OG 2.99Å | ||
| 740 | T | 62.5 | Low | 66.6 | Low | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.086 | 41% | 0.412 | C | S | . | . | trans | -115.1 | 166.5 | 176.8 | 47.5 | 0 | 0 | 0 | 0 | 111.2 | N4 M7 R291 M738 | N4-T740 WeakPolarHBondContact OD1-CA 3.41Å; M7-T740 HydrophobicContact CB-CG2 4.46Å; M7-T740 HydrophobicContact CG-CG2 3.72Å; M7-T740 HydrophobicContact SD-CG2 4.07Å; R291-T740 PolarHBondContact NH1-O 3.03Å; R291-T740 PolarHBondContact NH1-OG1 2.84Å; R291-T740 PolarHBondContact NH2-O 2.69Å; R291-T740 PolarHBondContact NH2-OG1 3.35Å; M738-T740 VanDerWaalsContact C-N 3.31Å; M738-T740 PolarHBondContact O-N 2.66Å | ||
| 741 | V | 58.2 | Low | 65.1 | Low | 111 Ų | 111 | 69.9 Ų | 69.9 | 67% | 0.673 | 42% | 0.422 | S | S | * | . | trans | -102.7 | 130.9 | 168 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | N4 M7 | N4-V741 PolarHBondContact ND2-N 3.43Å; N4-V741 PolarHBondContact ND2-O 3.43Å; N4-V741 PolarHBondContact OD1-N 3.31Å; M7-V741 WeakPolarHBondContact CE-O 3.31Å | ||
| 742 | S | 61.5 | Low | 63.5 | Low | 64 Ų | 64 | 70.4 Ų | 70.4 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | trans | -95.5 | 166.1 | 179.7 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 743 | T | 62 | Low | 62.4 | Low | 61 Ų | 61 | 76 Ų | 76 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | trans | -105.7 | 131.6 | 165.8 | 36.7 | 0 | 0 | 0 | 0 | 107.9 | Q284 N288 I745 | Q284-T743 PolarHBondContact NE2-OG1 2.75Å; N288-T743 PolarHBondContact ND2-OG1 3.24Å; T743-I745 PolarHBondContact O-N 2.98Å | ||
| 744 | P | 57.4 | Low | 60.8 | Low | 121 Ų | 121 | 80.7 Ų | 80.7 | 79% | 0.786 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 137.3 | -178.6 | 23.4 | -31.1 | 0 | 0 | 0 | 110.9 | ||
| 745 | I | 62 | Low | 59.1 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 143.6 | 170.9 | -58.2 | 172.4 | 0 | 0 | 0 | 108.1 | T743 | T743-I745 PolarHBondContact O-N 2.98Š|
| 746 | P | 58.6 | Low | 57.6 | Low | 59 Ų | 59 | 82 Ų | 82 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -52 | 149.3 | 172.3 | -25.4 | 33.7 | 0 | 0 | 0 | 112.6 | R229 | R229-P746 PolarHBondContact NE-O 2.89Å; R229-P746 PolarHBondContact NH2-O 3.4Å |
| 747 | P | 60.1 | Low | 56.2 | Low | 104 Ų | 104 | 87.6 Ų | 87.6 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 158.2 | 178 | 23.9 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 748 | P | 61.2 | Low | 54.9 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 141.6 | 176 | -19.4 | 30.2 | 0 | 0 | 0 | 111.1 | ||
| 749 | V | 61.6 | Low | 53.7 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 130.5 | 171.1 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | P227 R229 D751 | P227-V749 HydrophobicContact CB-CB 4.1Å; P227-V749 HydrophobicContact CB-CG1 3.25Å; P227-V749 HydrophobicContact CB-CG2 4.22Å; P227-V749 HydrophobicContact CG-CG1 3.96Å; R229-V749 HydrophobicContact CB-CG2 4.49Å; V749-D751 PolarHBondContact O-N 2.84Å |
| 750 | N | 51.6 | Low | 52.5 | Low | 103 Ų | 103 | 92.9 Ų | 92.9 | 55% | 0.551 | 55% | 0.55 | S | S | * | . | trans | -82.3 | 114.5 | 175.8 | -167.4 | -1.2 | 0 | 0 | 0 | 110.1 | D752 | N750-D752 VanDerWaalsContact C-N 3.34Å; N750-D752 PolarHBondContact ND2-OD2 3.19Å; N750-D752 VanDerWaalsContact OD1-CB 3.3Å; N750-D752 WeakPolarHBondContact OD1-CB 3.39Å; N750-D752 PolarHBondContact OD1-N 2.75Å; N750-D752 PolarHBondContact OD1-OD2 3Å; N750-D752 VanDerWaalsContact OD1-OD2 3.06Å | ||
| 751 | D | 54.4 | Low | 50.8 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 34% | 0.337 | 58% | 0.578 | S | S | . | * | trans | -85.1 | -0.1 | 177.4 | -75.6 | -24 | 0 | 0 | 0 | 113.1 | V749 W753 L754 | V749-D751 PolarHBondContact O-N 2.84Å; D751-W753 PolarHBondContact O-N 2.97Å; D751-L754 PolarHBondContact O-N 3.49Å | ||
| 752 | D | 53 | Low | 49.5 | Very low | 99 Ų | 99 | 97.7 Ų | 97.7 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -54.8 | -25.7 | -174.8 | -78.5 | -23.6 | 0 | 0 | 0 | 114.4 | N750 L754 L755 S756 | N750-D752 VanDerWaalsContact C-N 3.34Å; N750-D752 PolarHBondContact ND2-OD2 3.19Å; N750-D752 VanDerWaalsContact OD1-CB 3.3Å; N750-D752 WeakPolarHBondContact OD1-CB 3.39Å; N750-D752 PolarHBondContact OD1-N 2.75Å; N750-D752 PolarHBondContact OD1-OD2 3Å; N750-D752 VanDerWaalsContact OD1-OD2 3.06Å; D752-L754 PolarHBondContact O-N 2.74Å; D752-L755 PolarHBondContact O-N 3.23Å; D752-S756 PolarHBondContact O-OG 3.08Å |
| 753 | W | 57.7 | Low | 47.9 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -71.6 | -26.7 | 178.9 | 69.3 | -87.8 | 0 | 0 | 0 | 113.2 | R224 P227 D751 L755 S756 | R224-W753 VanDerWaalsContact O-CZ2 3.26Å; R224-W753 WeakPolarHBondContact O-CZ2 3.49Å; P227-W753 HydrophobicContact CG-CZ2 4.25Å; D751-W753 PolarHBondContact O-N 2.97Å; W753-L755 PolarHBondContact O-N 3.06Å; W753-S756 PolarHBondContact O-N 3.37Å |
| 754 | L | 48.3 | Very low | 46.1 | Very low | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -69.3 | -22.7 | 175.3 | -76.2 | 166.3 | 0 | 0 | 0 | 112.4 | D751 D752 | D751-L754 PolarHBondContact O-N 3.49Å; D752-L754 PolarHBondContact O-N 2.74Å |
| 755 | L | 47.1 | Very low | 44.7 | Very low | 135 Ų | 135 | 102.9 Ų | 102.9 | 71% | 0.707 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -87.1 | -8.9 | 176.7 | -73.6 | 160.7 | 0 | 0 | 0 | 112.9 | D752 W753 | D752-L755 PolarHBondContact O-N 3.23Å; W753-L755 PolarHBondContact O-N 3.06Å |
| 756 | S | 42.7 | Very low | 43.2 | Very low | 84 Ų | 84 | 103.1 Ų | 103.1 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | trans | -86.2 | -7.7 | -168.4 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | D752 W753 I758 | D752-S756 PolarHBondContact O-OG 3.08Å; W753-S756 PolarHBondContact O-N 3.37Å; S756-I758 PolarHBondContact O-N 3.44Å | ||
| 757 | D | 38.9 | Very low | 41.7 | Very low | 144 Ų | 144 | 106 Ų | 106 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -97.8 | 50.1 | 177.5 | -80.8 | -19.8 | 0 | 0 | 0 | 113.3 | P759 | D757-P759 VanDerWaalsContact C-CD 3.46Š| ||
| 758 | I | 34 | Very low | 40.4 | Very low | 152 Ų | 152 | 107.7 Ų | 107.7 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -118.7 | 77.5 | 157.4 | -48.7 | 179 | 0 | 0 | 0 | 108.7 | S756 G760 | S756-I758 PolarHBondContact O-N 3.44Å; I758-G760 PolarHBondContact O-N 2.84Å | ||
| 759 | P | 37.1 | Very low | 38.8 | Very low | 117 Ų | 117 | 106.7 Ų | 106.7 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | trans | -81.2 | 89.6 | 178.6 | -4.5 | 24.2 | 0 | 0 | 0 | 109.5 | D757 | D757-P759 VanDerWaalsContact C-CD 3.46Š| ||
| 760 | G | 32.4 | Very low | 37.5 | Very low | 79 Ų | 79 | 111 Ų | 111 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | trans | -78.7 | 111.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I758 | I758-G760 PolarHBondContact O-N 2.84Š| ||
| 761 | G | 27.7 | Very low | 36.4 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | 129.2 | 109.8 | 156 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 762 | L | 29.8 | Very low | 35.4 | Very low | 159 Ų | 159 | 116.8 Ų | 116.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 93 | 102.6 | 145.2 | -54.7 | 175.5 | 0 | 0 | 0 | 119.3 | ||||
| 763 | T | 27.4 | Very low | 34.4 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 69 | 116 | 130.9 | 56 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 764 | A | 24.7 | Very low | 33 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -52.6 | 152.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 765 | P | 28.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -127 | 131.7 | 126.9 | 31.7 | -19.6 | 0 | 0 | 0 | 112.1 | |||||
| 766 | G | 30.7 | Very low | 31.4 | Very low | 72 Ų | 72 | 117.2 Ų | 117.2 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 75.9 | 84.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 767 | S | 26.9 | Very low | 30.8 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 11.2 | 114.6 | 125 | 159.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 768 | T | 33 | Very low | 30.6 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 105.5 | 133 | 37.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 769 | G | 28.3 | Very low | 30.6 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 132.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 770 | T | 33.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -130.4 | 118.3 | 153.2 | 43.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 771 | L | 29.2 | Very low | 30.1 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.2 | -175.8 | -71.2 | 151.6 | 0 | 0 | 0 | 111.5 | ||
| 772 | P | 32.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 157.4 | 165.8 | 33.1 | -29.6 | 0 | 0 | 0 | 112.1 | ||
| 773 | P | 32.5 | Very low | 30.7 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 165.6 | -175.6 | 33.5 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 774 | P | 28.4 | Very low | 31 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | trans | -110.6 | 154.7 | -154.3 | 39.9 | -31.3 | 0 | 0 | 0 | 116.1 | ||||
| 775 | S | 28 | Very low | 31.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | 67.7 | 146.1 | 151 | 21.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 776 | P | 32.2 | Very low | 31.8 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | cis | -131.1 | 148.6 | 44.3 | 31.7 | -11.2 | 0 | 0 | 0 | 117.4 | ||||
| 777 | T | 30.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 147.7 | 170.3 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 778 | A | 35.1 | Very low | 32.5 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | 173.7 | 109.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 779 | N | 33 | Very low | 32.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 34 | 120.4 | 132.4 | -66.4 | -7.5 | 0 | 0 | 0 | 120.6 | ||||
| 780 | R | 33.3 | Very low | 32 | Very low | 248 Ų | 248 | 130.8 Ų | 130.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | 176.3 | 113.9 | 103.3 | -92.8 | 170.3 | -173.4 | -141 | 1.5 | 111.3 | |||||
| 781 | R | 26.2 | Very low | 31.7 | Very low | 249 Ų | 249 | 135.8 Ų | 135.8 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 139.4 | 156.2 | -98.3 | -175.8 | 175 | -166.9 | -1.2 | 108.3 | ||
| 782 | P | 37.8 | Very low | 31.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 159.2 | 150.9 | 23.9 | -7.9 | 0 | 0 | 0 | 111.5 | ||
| 783 | P | 33.4 | Very low | 31 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 165.5 | -161.5 | 36.7 | -28.1 | 0 | 0 | 0 | 114.9 | ||
| 784 | A | 33.2 | Very low | 30.6 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 153.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 785 | P | 36.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 155.4 | 170.7 | 33.8 | -30.6 | 0 | 0 | 0 | 112.5 | ||
| 786 | P | 32.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 163.8 | -171.4 | 36.2 | -34.5 | 0 | 0 | 0 | 114 | ||
| 787 | P | 34.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 155.1 | -178.6 | 36.3 | -31.9 | 0 | 0 | 0 | 113.6 | ||
| 788 | P | 37.7 | Very low | 29.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 128 | 158 | 32.6 | -26.4 | 0 | 0 | 0 | 108 | ||
| 789 | G | 27.6 | Very low | 28.9 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | cis | 69.9 | 110.2 | 47.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 790 | G | 24 | Very low | 28.7 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 171.4 | -177.4 | 5.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 791 | W | 28 | Very low | 28.2 | Very low | 250 Ų | 250 | 128 Ų | 128 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | trans | 93.1 | 101 | 170.2 | -53.1 | 2.3 | 0 | 0 | 0 | 113.6 | ||||
| 792 | S | 23.5 | Very low | 28 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 52.1 | 130.9 | 58.5 | 91.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 793 | S | 23.9 | Very low | 27.6 | Very low | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | cis | -179 | 136.8 | 35.9 | -167 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 794 | T | 22.8 | Very low | 27.1 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | 62.8 | 147.5 | 129.3 | 61.4 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 795 | N | 25.7 | Very low | 26.8 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 92.8 | 139.1 | 145.6 | -72.8 | -7.1 | 0 | 0 | 0 | 116.5 | ||||
| 796 | S | 23.4 | Very low | 26.4 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 78% | 0.783 | S | S | * | * | cis | 168.5 | 134.3 | -20.9 | 46.6 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 797 | T | 22.6 | Very low | 25.8 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | 39.1 | 126.4 | 142 | 57.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 798 | G | 25.5 | Very low | 25.4 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 173.9 | 83.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 799 | S | 21.7 | Very low | 24.8 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -68.4 | 129.5 | 165.4 | 150.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 800 | I | 28.6 | Very low | 24.6 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -137.1 | 122.5 | 155.1 | -63.6 | -176.1 | 0 | 0 | 0 | 109.8 | ||||
| 801 | K | 22.5 | Very low | 24.9 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 146.8 | 167.2 | -76.7 | 177.7 | 172.7 | 177.6 | 0 | 110.8 | ||||
| 802 | G | 22.6 | Very low | 24.8 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 103.3 | 113.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 803 | S | 29.5 | Very low | 24.9 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -177.9 | 111.2 | 131.9 | -76 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 804 | A | 23.8 | Very low | 25.2 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -79.3 | 150.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 805 | P | 27 | Very low | 25.5 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -157 | 157.1 | 73.6 | 37.8 | -16.8 | 0 | 0 | 0 | 116.8 | |||||
| 806 | R | 27 | Very low | 25.6 | Very low | 246 Ų | 246 | 132.4 Ų | 132.4 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | 166 | 121.1 | 116.3 | -96.8 | -176.1 | 172.8 | -167.4 | -2 | 110.8 | |||||
| 807 | Q | 20.7 | Very low | 26.1 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -94.4 | 166.1 | 168.4 | -82.8 | -178.7 | -17.3 | 0 | 0 | 111.4 | ||||
| 808 | V | 24.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 76.1 | 146 | 159 | -85.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 809 | P | 26.9 | Very low | 26.9 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | cis | -132.8 | 163.7 | 11.2 | 36.4 | -16.2 | 0 | 0 | 0 | 117.9 | ||||
| 810 | S | 22.2 | Very low | 27.4 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -76.4 | 144.5 | 166.9 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 811 | V | 30.7 | Very low | 27.6 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -142.5 | 144.6 | 168.2 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 812 | P | 26.8 | Very low | 28.2 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 168.5 | -138.1 | 38 | -34.8 | 0 | 0 | 0 | 116.6 | ||
| 813 | A | 25.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 814 | K | 30.1 | Very low | 28.8 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 121.6 | 166.4 | -81.5 | -176.4 | 175.8 | 179.9 | 0 | 110 | ||
| 815 | T | 28.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 139.1 | 173.3 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 816 | S | 26.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | 36.4 | 114.4 | 145.4 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 817 | S | 34.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -132.4 | 113.2 | 145.1 | 57 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 818 | G | 32.3 | Very low | 30.9 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | L820 | G818-L820 PolarHBondContact O-N 2.73Š|
| 819 | Q | 32.9 | Very low | 31.6 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70 | 119.8 | 167.2 | -76.1 | 166.6 | -51.8 | 0 | 0 | 108.7 | ||
| 820 | L | 33 | Very low | 31.8 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.4 | 168.5 | -74.8 | 158.5 | 0 | 0 | 0 | 109.6 | G818 | G818-L820 PolarHBondContact O-N 2.73Š|
| 821 | P | 33 | Very low | 32.3 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 79% | 0.786 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 146 | -173.6 | 27.3 | -32.2 | 0 | 0 | 0 | 113 | ||
| 822 | S | 35.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 76% | 0.762 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144.1 | -179 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 823 | P | 31.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 156.4 Ų | 156.4 | 81% | 0.812 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.2 | -176 | 25.4 | -32 | 0 | 0 | 0 | 113.1 | ||
| 824 | L | 32.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126 | 177.8 | -89.4 | 138.3 | 0 | 0 | 0 | 111.8 | ||
| 825 | I | 38 | Very low | 33.4 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 77% | 0.774 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 129.9 | 174.7 | -61 | 172.7 | 0 | 0 | 0 | 109.3 | Q827 | I825-Q827 PolarHBondContact O-N 3.37Š|
| 826 | P | 32.2 | Very low | 33.7 | Very low | 117 Ų | 117 | 159.1 Ų | 159.1 | 76% | 0.76 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 129.3 | -177.4 | -15.7 | 29.3 | 0 | 0 | 0 | 112.9 | ||
| 827 | Q | 34.1 | Very low | 34.3 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.8 | 172.1 | -69.3 | -176 | -20 | 0 | 0 | 110.4 | I825 | I825-Q827 PolarHBondContact O-N 3.37Š|
| 828 | R | 39 | Very low | 34.3 | Very low | 249 Ų | 249 | 166.3 Ų | 166.3 | 94% | 0.94 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.7 | 173.5 | -80.6 | -177.1 | 174.7 | 178 | -1.7 | 110 | ||
| 829 | R | 38 | Very low | 34.5 | Very low | 320 Ų | 320 | 174.4 Ų | 174.4 | 100% | 1.208 | 88% | 0.875 | S | S | * | * | trans | -70.9 | 0 | 159.5 | -84.5 | -171.2 | 179.6 | -177.9 | 0.5 | 110.8 |
Retrieved 829 of 829 residues in 679.9 ms
(Link to these results)