| 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 | 45.8 | Very low | 76.6 | Confident | 198 Ų | 198 | 87 Ų | 87 | 98% | 0.975 | 45% | 0.451 | S | S | * | . | 0 | 165.4 | 0 | -76.6 | 160.9 | 170.3 | 0 | 0 | 107.5 | Y63 | M1-Y63 HydrophobicContact CB-CE1 4.45Å; M1-Y63 WeakPolarHBondContact CB-OH 3.46Å | |||
| 2 | F | 57.2 | Low | 77.5 | Confident | 190 Ų | 190 | 80.4 Ų | 80.4 | 83% | 0.833 | 42% | 0.42 | S | S | * | . | trans | -120.5 | 151 | 174.2 | -65.6 | -77.9 | 0 | 0 | 0 | 108.3 | ||||
| 3 | I | 74.4 | Confident | 78.2 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 9% | 0.087 | 44% | 0.438 | C | S | . | . | trans | -60.1 | 141.3 | 170 | -55.3 | -176.6 | 0 | 0 | 0 | 108.8 | E7 E8 I11 Y63 D66 V67 | I3-E7 HydrophobicContact CG2-CB 3.5Å; I3-E7 VanDerWaalsContact CG2-CB 3.5Å; I3-E8 HydrophobicContact CB-CG 4.32Å; I3-E8 HydrophobicContact CG2-CG 3.95Å; I3-I11 HydrophobicContact CD1-CD1 4.48Å; I3-Y63 HydrophobicContact CD1-CG 4.43Å; I3-Y63 HydrophobicContact CG1-CD2 4.13Å; I3-Y63 HydrophobicContact CG1-CG 4.03Å; I3-D66 HydrophobicContact CD1-CB 3.65Å; I3-D66 HydrophobicContact CG1-CB 4.19Å; I3-V67 HydrophobicContact CD1-CG2 3.89Å | ||
| 4 | S | 80.4 | Confident | 78.8 | Confident | 44 Ų | 44 | 83.4 Ų | 83.4 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | trans | -75.1 | 152.7 | 174.6 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | E6 E7 E8 | S4-E6 PolarHBondContact O-N 3.05Å; S4-E6 VanDerWaalsContact O-N 3.11Å; S4-E7 WeakPolarHBondContact CB-OE2 3.32Å; S4-E7 PolarHBondContact N-OE2 3.41Å; S4-E7 PolarHBondContact O-N 3.43Å; S4-E7 VanDerWaalsContact O-N 3.07Å; S4-E7 VanDerWaalsContact OG-CD 3.22Å; S4-E7 VanDerWaalsContact OG-CG 3.26Å; S4-E7 WeakPolarHBondContact OG-CG 3.33Å; S4-E7 PolarHBondContact OG-N 3.4Å; S4-E7 PolarHBondContact OG-OE2 2.82Å; S4-E8 PolarHBondContact O-N 2.99Å | ||
| 5 | P | 81 | Confident | 79.4 | Confident | 106 Ų | 106 | 78 Ų | 78 | 69% | 0.688 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.3 | -16.3 | -179.3 | 26.9 | -35.8 | 0 | 0 | 0 | 113.7 | A9 | P5-A9 WeakPolarHBondContact O-CB 3.39Å; P5-A9 PolarHBondContact O-N 2.97Å |
| 6 | E | 81.5 | Confident | 79.9 | Confident | 164 Ų | 164 | 75.7 Ų | 75.7 | 77% | 0.766 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -78.7 | -38.9 | 173.6 | -61.9 | -174.1 | 178.8 | 0 | 0 | 111.1 | S4 A9 L10 | S4-E6 PolarHBondContact O-N 3.05Å; S4-E6 VanDerWaalsContact O-N 3.11Å; E6-A9 PolarHBondContact O-N 3.38Å; E6-L10 PolarHBondContact O-N 3.49Å |
| 7 | E | 81.1 | Confident | 80.3 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 173.7 | -66.5 | 163.1 | 130.9 | 0 | 0 | 111.6 | I3 S4 A9 L10 I11 Y59 | I3-E7 HydrophobicContact CG2-CB 3.5Å; I3-E7 VanDerWaalsContact CG2-CB 3.5Å; S4-E7 WeakPolarHBondContact CB-OE2 3.32Å; S4-E7 PolarHBondContact N-OE2 3.41Å; S4-E7 PolarHBondContact O-N 3.43Å; S4-E7 VanDerWaalsContact O-N 3.07Å; S4-E7 VanDerWaalsContact OG-CD 3.22Å; S4-E7 VanDerWaalsContact OG-CG 3.26Å; S4-E7 WeakPolarHBondContact OG-CG 3.33Å; S4-E7 PolarHBondContact OG-N 3.4Å; S4-E7 PolarHBondContact OG-OE2 2.82Å; E7-A9 PolarHBondContact O-N 3.42Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 2.93Å; E7-L10 VanDerWaalsContact O-N 3.14Å; E7-I11 WeakPolarHBondContact O-CB 3.35Å; E7-I11 WeakPolarHBondContact O-CD1 3.44Å; E7-I11 VanDerWaalsContact O-CG1 3.27Å; E7-I11 WeakPolarHBondContact O-CG1 3.06Å; E7-I11 PolarHBondContact O-N 3.44Å; E7-Y59 HydrophobicContact CB-CE1 4.35Å; E7-Y59 HydrophobicContact CG-CE1 4.12Å; E7-Y59 WeakPolarHBondContact CG-OH 3.33Å; E7-Y59 WeakPolarHBondContact OE1-CE1 3.41Å; E7-Y59 VanDerWaalsContact OE1-CZ 3.29Å; E7-Y59 PolarHBondContact OE1-OH 3.07Å |
| 8 | E | 84.3 | Confident | 80.7 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.4 | -41.1 | 171.1 | -73.2 | -159.1 | 160.8 | 0 | 0 | 111.3 | I3 S4 G12 V70 | I3-E8 HydrophobicContact CB-CG 4.32Å; I3-E8 HydrophobicContact CG2-CG 3.95Å; S4-E8 PolarHBondContact O-N 2.99Å; E8-G12 PolarHBondContact O-N 3Å; E8-V70 HydrophobicContact CB-CG2 4.24Å; E8-V70 HydrophobicContact CG-CG2 4.09Å |
| 9 | A | 84.4 | Confident | 80.8 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 35% | 0.347 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.2 | -29.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P5 E6 E7 R13 | P5-A9 WeakPolarHBondContact O-CB 3.39Å; P5-A9 PolarHBondContact O-N 2.97Å; E6-A9 PolarHBondContact O-N 3.38Å; E7-A9 PolarHBondContact O-N 3.42Å; A9-R13 WeakPolarHBondContact O-CD 3.27Å; A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.2Å |
| 10 | L | 86.2 | Confident | 80.9 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -57.1 | 171.5 | -177.3 | 75.8 | 0 | 0 | 0 | 110.2 | E6 E7 G12 R13 V14 | E6-L10 PolarHBondContact O-N 3.49Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 2.93Å; E7-L10 VanDerWaalsContact O-N 3.14Å; L10-G12 VanDerWaalsContact C-N 3.26Å; L10-G12 PolarHBondContact O-N 2.91Å; L10-R13 PolarHBondContact O-N 3.37Å; L10-R13 VanDerWaalsContact O-N 3.1Å; L10-V14 WeakPolarHBondContact O-CG2 3.11Å; L10-V14 PolarHBondContact O-N 3.28Å |
| 11 | I | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.2 | -45 | -179.7 | -66 | 162.6 | 0 | 0 | 0 | 110.2 | I3 E7 R13 V14 F15 V56 Y59 V67 V70 F71 | I3-I11 HydrophobicContact CD1-CD1 4.48Å; E7-I11 WeakPolarHBondContact O-CB 3.35Å; E7-I11 WeakPolarHBondContact O-CD1 3.44Å; E7-I11 VanDerWaalsContact O-CG1 3.27Å; E7-I11 WeakPolarHBondContact O-CG1 3.06Å; E7-I11 PolarHBondContact O-N 3.44Å; I11-R13 PolarHBondContact O-N 3.33Å; I11-V14 PolarHBondContact O-N 2.84Å; I11-F15 WeakPolarHBondContact O-CB 3.27Å; I11-F15 PolarHBondContact O-N 2.91Å; I11-V56 HydrophobicContact CG2-CG1 4.44Å; I11-Y59 HydrophobicContact CD1-CD1 4.4Å; I11-Y59 HydrophobicContact CD1-CD2 4.1Å; I11-Y59 HydrophobicContact CD1-CG 3.87Å; I11-Y59 HydrophobicContact CG1-CD2 4.31Å; I11-V67 HydrophobicContact CD1-CG2 4.27Å; I11-V67 HydrophobicContact CG2-CG1 4.18Å; I11-V70 HydrophobicContact CG2-CG1 4.12Å; I11-F71 HydrophobicContact CG2-CD1 4.41Å; I11-F71 HydrophobicContact CG2-CE1 3.73Å |
| 12 | G | 86.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E8 L10 E16 | E8-G12 PolarHBondContact O-N 3Å; L10-G12 VanDerWaalsContact C-N 3.26Å; L10-G12 PolarHBondContact O-N 2.91Å; G12-E16 VanDerWaalsContact O-CB 3.26Å; G12-E16 WeakPolarHBondContact O-CB 3.49Å; G12-E16 PolarHBondContact O-N 3.36Å |
| 13 | R | 86.9 | Confident | 83.5 | Confident | 172 Ų | 172 | 61 Ų | 61 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.1 | -41.1 | 177.9 | -72.2 | 168.7 | -170.9 | 171.8 | 6.6 | 112.8 | A9 L10 I11 F15 E16 N17 | A9-R13 WeakPolarHBondContact O-CD 3.27Å; A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.2Å; L10-R13 PolarHBondContact O-N 3.37Å; L10-R13 VanDerWaalsContact O-N 3.1Å; I11-R13 PolarHBondContact O-N 3.33Å; R13-F15 VanDerWaalsContact C-N 3.34Å; R13-E16 PolarHBondContact O-N 3.47Å; R13-N17 PolarHBondContact O-N 3.45Å |
| 14 | V | 86.9 | Confident | 83.5 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | L10 I11 N17 Y18 N53 V56 | L10-V14 WeakPolarHBondContact O-CG2 3.11Å; L10-V14 PolarHBondContact O-N 3.28Å; I11-V14 PolarHBondContact O-N 2.84Å; V14-N17 PolarHBondContact O-N 3.16Å; V14-Y18 WeakPolarHBondContact O-CB 3.31Å; V14-Y18 PolarHBondContact O-N 2.88Å; V14-N53 HydrophobicContact CG1-CB 3.71Å; V14-V56 HydrophobicContact CB-CG2 4.14Å; V14-V56 HydrophobicContact CG1-CG2 3.88Å; V14-V56 HydrophobicContact CG2-CG2 4.46Å |
| 15 | F | 87.5 | Confident | 83.1 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 175.9 | -170 | -117 | 0 | 0 | 0 | 112.6 | I11 R13 N17 Y18 L19 V44 L49 F71 V74 T106 | I11-F15 WeakPolarHBondContact O-CB 3.27Å; I11-F15 PolarHBondContact O-N 2.91Å; R13-F15 VanDerWaalsContact C-N 3.34Å; F15-N17 VanDerWaalsContact C-N 3.34Å; F15-N17 PolarHBondContact O-N 2.8Å; F15-Y18 HydrophobicContact CD2-CD1 4.34Å; F15-Y18 HydrophobicContact CE2-CD1 4.35Å; F15-Y18 PolarHBondContact O-N 3.39Å; F15-L19 HydrophobicContact CD1-CD1 3.91Å; F15-L19 HydrophobicContact CD1-CG 4.24Å; F15-L19 HydrophobicContact CE1-CD1 3.55Å; F15-L19 HydrophobicContact CE1-CD2 4.24Å; F15-L19 HydrophobicContact CE1-CG 3.92Å; F15-L19 HydrophobicContact CE2-CD2 4.21Å; F15-L19 HydrophobicContact CE2-CG 4.23Å; F15-L19 HydrophobicContact CZ-CD1 4Å; F15-L19 HydrophobicContact CZ-CD2 3.8Å; F15-L19 HydrophobicContact CZ-CG 3.9Å; F15-L19 WeakPolarHBondContact O-CB 3.46Å; F15-L19 WeakPolarHBondContact O-CG 3.49Å; F15-L19 PolarHBondContact O-N 2.95Å; F15-V44 HydrophobicContact CE2-CG1 4.42Å; F15-V44 HydrophobicContact CE2-CG2 4.23Å; F15-V44 HydrophobicContact CZ-CG2 4.31Å; F15-L49 HydrophobicContact CD2-CD1 4.06Å; F15-F71 HydrophobicContact CB-CD1 3.84Å; F15-F71 HydrophobicContact CB-CE1 3.84Å; F15-F71 HydrophobicContact CD1-CB 3.94Å; F15-F71 AromaticContact CD1-CD1 3.57Å; F15-F71 HydrophobicContact CD1-CD1 3.57Å; F15-F71 HydrophobicContact CD1-CE1 4.35Å; F15-F71 AromaticContact CD1-CG 3.95Å; F15-F71 HydrophobicContact CD1-CG 3.95Å; F15-F71 AromaticContact CD2-CD1 3.85Å; F15-F71 HydrophobicContact CD2-CD1 3.85Å; F15-F71 AromaticContact CD2-CE1 3.91Å; F15-F71 HydrophobicContact CD2-CE1 3.91Å; F15-F71 HydrophobicContact CD2-CG 4.24Å; F15-F71 HydrophobicContact CD2-CZ 4.35Å; F15-F71 HydrophobicContact CE1-CB 3.56Å; F15-F71 HydrophobicContact CE1-CD1 4.03Å; F15-F71 AromaticContact CE1-CG 3.91Å; F15-F71 HydrophobicContact CE1-CG 3.91Å; F15-F71 HydrophobicContact CE2-CD1 4.29Å; F15-F71 HydrophobicContact CE2-CD2 4.43Å; F15-F71 HydrophobicContact CE2-CG 4.21Å; F15-F71 AromaticContact CG-CD1 3.47Å; F15-F71 HydrophobicContact CG-CD1 3.47Å; F15-F71 VanDerWaalsContact CG-CD1 3.47Å; F15-F71 AromaticContact CG-CE1 3.79Å; F15-F71 HydrophobicContact CG-CE1 3.79Å; F15-F71 HydrophobicContact CG-CG 4.12Å; F15-F71 HydrophobicContact CZ-CB 3.95Å; F15-F71 HydrophobicContact CZ-CD1 4.37Å; F15-F71 HydrophobicContact CZ-CD2 4.49Å; F15-F71 HydrophobicContact CZ-CG 4.05Å; F15-V74 HydrophobicContact CD1-CB 4.01Å; F15-V74 HydrophobicContact CD1-CG1 3.87Å; F15-T106 HydrophobicContact CE1-CG2 4.43Å; F15-T106 HydrophobicContact CE2-CG2 4.38Å; F15-T106 HydrophobicContact CZ-CG2 3.66Å |
| 16 | E | 86.8 | Confident | 82.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.6 | -166 | 172.4 | 150.6 | 0 | 0 | 112.6 | G12 R13 T20 V74 K77 K78 | G12-E16 VanDerWaalsContact O-CB 3.26Å; G12-E16 WeakPolarHBondContact O-CB 3.49Å; G12-E16 PolarHBondContact O-N 3.36Å; R13-E16 PolarHBondContact O-N 3.47Å; E16-T20 PolarHBondContact O-N 3.13Å; E16-T20 PolarHBondContact O-OG1 3.09Å; E16-V74 HydrophobicContact CB-CG1 3.85Å; E16-V74 HydrophobicContact CG-CG1 4.24Å; E16-K77 IonicContact OE1-NZ 3.38Å; E16-K77 PolarHBondContact OE1-NZ 2.9Å; E16-K77 IonicContact OE2-NZ 2.66Å; E16-K77 PolarHBondContact OE2-NZ 2.82Å; E16-K78 VanDerWaalsContact CD-CE 3.43Å; E16-K78 HydrophobicContact CG-CD 4.33Å; E16-K78 HydrophobicContact CG-CG 4.27Å; E16-K78 WeakPolarHBondContact OE1-CE 3.32Å; E16-K78 IonicContact OE1-NZ 3.44Å; E16-K78 PolarHBondContact OE1-NZ 3.1Å |
| 17 | N | 87.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -50.7 | 173.2 | -67.8 | -7.1 | 0 | 0 | 0 | 111.2 | R13 V14 F15 L19 T20 E21 | R13-N17 PolarHBondContact O-N 3.45Å; V14-N17 PolarHBondContact O-N 3.16Å; F15-N17 VanDerWaalsContact C-N 3.34Å; F15-N17 PolarHBondContact O-N 2.8Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.5Å; N17-T20 WeakPolarHBondContact O-CA 3.37Å; N17-T20 VanDerWaalsContact O-CB 3.31Å; N17-T20 WeakPolarHBondContact O-CB 3.26Å; N17-T20 PolarHBondContact O-N 3.45Å; N17-E21 PolarHBondContact O-N 3.42Å |
| 18 | Y | 86.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.2 | -43.1 | -179.3 | 174.8 | -88.7 | 0 | 0 | 0 | 112.8 | V14 F15 T20 E21 H22 H23 V44 T48 L49 A52 | V14-Y18 WeakPolarHBondContact O-CB 3.31Å; V14-Y18 PolarHBondContact O-N 2.88Å; F15-Y18 HydrophobicContact CD2-CD1 4.34Å; F15-Y18 HydrophobicContact CE2-CD1 4.35Å; F15-Y18 PolarHBondContact O-N 3.39Å; Y18-T20 VanDerWaalsContact C-N 3.27Å; Y18-T20 PolarHBondContact O-N 2.98Å; Y18-E21 PolarHBondContact O-N 3.49Å; Y18-H22 AromaticContact CD2-CD2 3.67Å; Y18-H22 AromaticContact CE2-CD2 3.49Å; Y18-H22 VanDerWaalsContact CE2-CD2 3.49Å; Y18-H22 WeakPolarHBondContact CE2-CD2 3.24Å; Y18-H22 PolarHBondContact O-N 3.34Å; Y18-H23 AromaticContact CE1-CD2 3.45Å; Y18-H23 VanDerWaalsContact CE1-CD2 3.45Å; Y18-H23 WeakPolarHBondContact CE1-CD2 3.36Å; Y18-H23 AromaticContact CE1-NE2 3.49Å; Y18-H23 WeakPolarHBondContact CE1-NE2 3.46Å; Y18-H23 AromaticContact CZ-NE2 3.87Å; Y18-H23 PolarHBondContact OH-NE2 3.35Å; Y18-V44 HydrophobicContact CE1-CG1 3.71Å; Y18-T48 PolarHBondContact OH-OG1 3.32Å; Y18-L49 HydrophobicContact CD1-CD1 4Å; Y18-L49 HydrophobicContact CD2-CD1 4.15Å; Y18-L49 HydrophobicContact CE1-CD1 4.37Å; Y18-L49 HydrophobicContact CE2-CB 4.49Å; Y18-L49 HydrophobicContact CE2-CD1 4.49Å; Y18-L49 HydrophobicContact CG-CD1 3.91Å; Y18-A52 HydrophobicContact CD2-CB 4.03Å |
| 19 | L | 84.2 | Confident | 81 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 173.8 | -75.2 | 179.3 | 0 | 0 | 0 | 112.6 | F15 N17 H23 H24 V74 L75 | F15-L19 HydrophobicContact CD1-CD1 3.91Å; F15-L19 HydrophobicContact CD1-CG 4.24Å; F15-L19 HydrophobicContact CE1-CD1 3.55Å; F15-L19 HydrophobicContact CE1-CD2 4.24Å; F15-L19 HydrophobicContact CE1-CG 3.92Å; F15-L19 HydrophobicContact CE2-CD2 4.21Å; F15-L19 HydrophobicContact CE2-CG 4.23Å; F15-L19 HydrophobicContact CZ-CD1 4Å; F15-L19 HydrophobicContact CZ-CD2 3.8Å; F15-L19 HydrophobicContact CZ-CG 3.9Å; F15-L19 WeakPolarHBondContact O-CB 3.46Å; F15-L19 WeakPolarHBondContact O-CG 3.49Å; F15-L19 PolarHBondContact O-N 2.95Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.5Å; L19-H23 HydrophobicContact CD2-CB 4.03Å; L19-H23 CarbonylContact O-C 3.58Å; L19-H23 WeakPolarHBondContact O-CA 3.47Å; L19-H23 PolarHBondContact O-N 2.93Å; L19-H24 PolarHBondContact O-N 3.23Å; L19-V74 HydrophobicContact CD1-CG1 4.31Å; L19-L75 HydrophobicContact CD1-CD1 3.8Å; L19-L75 HydrophobicContact CD2-CD1 4.08Å |
| 20 | T | 83.1 | Confident | 80.3 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.3 | -33.4 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | E16 N17 Y18 H24 | E16-T20 PolarHBondContact O-N 3.13Å; E16-T20 PolarHBondContact O-OG1 3.09Å; N17-T20 WeakPolarHBondContact O-CA 3.37Å; N17-T20 VanDerWaalsContact O-CB 3.31Å; N17-T20 WeakPolarHBondContact O-CB 3.26Å; N17-T20 PolarHBondContact O-N 3.45Å; Y18-T20 VanDerWaalsContact C-N 3.27Å; Y18-T20 PolarHBondContact O-N 2.98Å; T20-H24 WeakPolarHBondContact O-CB 3.32Å |
| 21 | E | 83 | Confident | 79.2 | Confident | 153 Ų | 153 | 61.1 Ų | 61.1 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -82.9 | -43.1 | -179.5 | -68.9 | 175.6 | 175.2 | 0 | 0 | 112.9 | N17 Y18 | N17-E21 PolarHBondContact O-N 3.42Å; Y18-E21 PolarHBondContact O-N 3.49Å |
| 22 | H | 76.8 | Confident | 77.9 | Confident | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -102.1 | -40.4 | -173.9 | -71.6 | -80.5 | 0 | 0 | 0 | 114.8 | Y18 | Y18-H22 AromaticContact CD2-CD2 3.67Å; Y18-H22 AromaticContact CE2-CD2 3.49Å; Y18-H22 VanDerWaalsContact CE2-CD2 3.49Å; Y18-H22 WeakPolarHBondContact CE2-CD2 3.24Å; Y18-H22 PolarHBondContact O-N 3.34Å |
| 23 | H | 78 | Confident | 76.6 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -110.6 | 7.3 | -165.8 | -66.3 | -72.2 | 0 | 0 | 0 | 114.8 | Y18 L19 G25 D26 I27 V43 | Y18-H23 AromaticContact CE1-CD2 3.45Å; Y18-H23 VanDerWaalsContact CE1-CD2 3.45Å; Y18-H23 WeakPolarHBondContact CE1-CD2 3.36Å; Y18-H23 AromaticContact CE1-NE2 3.49Å; Y18-H23 WeakPolarHBondContact CE1-NE2 3.46Å; Y18-H23 AromaticContact CZ-NE2 3.87Å; Y18-H23 PolarHBondContact OH-NE2 3.35Å; L19-H23 HydrophobicContact CD2-CB 4.03Å; L19-H23 CarbonylContact O-C 3.58Å; L19-H23 WeakPolarHBondContact O-CA 3.47Å; L19-H23 PolarHBondContact O-N 2.93Å; H23-G25 PolarHBondContact O-N 3.14Å; H23-D26 IonicContact CE1-OD2 3.48Å; H23-D26 IonicContact CG-OD2 3.35Å; H23-D26 IonicContact ND1-OD2 2.74Å; H23-D26 PolarHBondContact ND1-OD2 3.38Å; H23-D26 PolarHBondContact O-N 3.49Å; H23-D26 VanDerWaalsContact O-N 3.08Å; H23-I27 WeakPolarHBondContact O-CG1 3.32Å; H23-I27 PolarHBondContact O-N 3.1Å; H23-I27 VanDerWaalsContact O-N 3.11Å; H23-V43 PolarHBondContact CE1-O 3.07Å |
| 24 | H | 74.2 | Confident | 75 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 38% | 0.384 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -28.3 | 176.7 | -174.3 | -67.2 | 0 | 0 | 0 | 112.7 | L19 T20 L28 | L19-H24 PolarHBondContact O-N 3.23Å; T20-H24 WeakPolarHBondContact O-CB 3.32Å; H24-L28 WeakPolarHBondContact O-CG 3.46Å |
| 25 | G | 71.5 | Confident | 73.5 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.6 | -47.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | H23 L28 Q29 | H23-G25 PolarHBondContact O-N 3.14Å; G25-L28 WeakPolarHBondContact O-CB 3.22Å; G25-L28 PolarHBondContact O-N 3.24Å; G25-Q29 PolarHBondContact O-N 3.02Å |
| 26 | D | 74.8 | Confident | 72 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 35% | 0.353 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | -174.4 | -50.7 | -26.3 | 0 | 0 | 0 | 111.6 | H23 L28 Q29 L30 | H23-D26 IonicContact CE1-OD2 3.48Å; H23-D26 IonicContact CG-OD2 3.35Å; H23-D26 IonicContact ND1-OD2 2.74Å; H23-D26 PolarHBondContact ND1-OD2 3.38Å; H23-D26 PolarHBondContact O-N 3.49Å; H23-D26 VanDerWaalsContact O-N 3.08Å; D26-L28 PolarHBondContact O-N 2.84Å; D26-Q29 PolarHBondContact O-N 3.12Å; D26-Q29 VanDerWaalsContact O-N 3.09Å; D26-L30 WeakPolarHBondContact O-CG 3.24Å; D26-L30 PolarHBondContact O-N 3.37Å |
| 27 | I | 74 | Confident | 70.8 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.062 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64 | -30.9 | 177.3 | -59.2 | 164.8 | 0 | 0 | 0 | 110.9 | H23 R31 V42 L75 L82 | H23-I27 WeakPolarHBondContact O-CG1 3.32Å; H23-I27 PolarHBondContact O-N 3.1Å; H23-I27 VanDerWaalsContact O-N 3.11Å; I27-R31 PolarHBondContact O-N 3.01Å; I27-V42 HydrophobicContact CG1-CG2 4.45Å; I27-L75 HydrophobicContact CD1-CD1 4.32Å; I27-L82 HydrophobicContact CB-CD1 4.32Å; I27-L82 HydrophobicContact CG2-CD1 3.64Å |
| 28 | L | 69.1 | Low | 69.9 | Low | 70 Ų | 70 | 81.1 Ų | 81.1 | 37% | 0.366 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -75.4 | -34.8 | 172.3 | -71.5 | 175 | 0 | 0 | 0 | 113 | H24 G25 D26 R31 T32 | H24-L28 WeakPolarHBondContact O-CG 3.46Å; G25-L28 WeakPolarHBondContact O-CB 3.22Å; G25-L28 PolarHBondContact O-N 3.24Å; D26-L28 PolarHBondContact O-N 2.84Å; L28-R31 WeakPolarHBondContact O-CB 3.2Å; L28-R31 PolarHBondContact O-N 3.4Å; L28-T32 PolarHBondContact O-N 3.22Å |
| 29 | Q | 66.6 | Low | 69.4 | Low | 125 Ų | 125 | 82.6 Ų | 82.6 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.3 | -42.9 | 174.9 | -70.6 | -178.2 | 28.3 | 0 | 0 | 111.7 | G25 D26 R31 T32 D33 | G25-Q29 PolarHBondContact O-N 3.02Å; D26-Q29 PolarHBondContact O-N 3.12Å; D26-Q29 VanDerWaalsContact O-N 3.09Å; Q29-R31 PolarHBondContact O-N 3.04Å; Q29-R31 VanDerWaalsContact O-N 3.15Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.37Å; Q29-T32 PolarHBondContact O-N 3.29Å; Q29-T32 PolarHBondContact O-OG1 3.49Å; Q29-D33 PolarHBondContact O-N 2.73Å |
| 30 | L | 68.7 | Low | 69.2 | Low | 37 Ų | 37 | 83.6 Ų | 83.6 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.2 | -33.5 | 172.1 | -72.9 | 174.7 | 0 | 0 | 0 | 111.9 | D26 R40 V42 Y104 | D26-L30 WeakPolarHBondContact O-CG 3.24Å; D26-L30 PolarHBondContact O-N 3.37Å; L30-R40 VanDerWaalsContact O-CZ 3.25Å; L30-R40 PolarHBondContact O-NH1 2.57Å; L30-R40 PolarHBondContact O-NH2 3.36Å; L30-V42 HydrophobicContact CD1-CG2 3.51Å; L30-Y104 HydrophobicContact CD1-CE1 4.38Å |
| 31 | R | 63.5 | Low | 69.2 | Low | 139 Ų | 139 | 82.5 Ų | 82.5 | 53% | 0.525 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -33.5 | 174.7 | 179.7 | -179.8 | 166.3 | -138.2 | -9.4 | 113.1 | I27 L28 Q29 A86 | I27-R31 PolarHBondContact O-N 3.01Å; L28-R31 WeakPolarHBondContact O-CB 3.2Å; L28-R31 PolarHBondContact O-N 3.4Å; Q29-R31 PolarHBondContact O-N 3.04Å; Q29-R31 VanDerWaalsContact O-N 3.15Å; R31-A86 VanDerWaalsContact NH1-CB 3.34Å |
| 32 | T | 59.8 | Low | 69.4 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 63% | 0.632 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -76.5 | -25.8 | 178.7 | 42 | 0 | 0 | 0 | 0 | 113.7 | L28 Q29 V34 | L28-T32 PolarHBondContact O-N 3.22Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.37Å; Q29-T32 PolarHBondContact O-N 3.29Å; Q29-T32 PolarHBondContact O-OG1 3.49Å; T32-V34 PolarHBondContact O-N 3.02Å; T32-V34 VanDerWaalsContact O-N 3.11Å |
| 33 | D | 58.9 | Low | 69.8 | Low | 87 Ų | 87 | 74 Ų | 74 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | trans | -75.1 | 100.5 | 175.5 | -69.2 | -22.7 | 0 | 0 | 0 | 110.7 | Q29 N35 R40 | Q29-D33 PolarHBondContact O-N 2.73Å; D33-N35 PolarHBondContact O-N 3.12Å; D33-R40 PolarHBondContact O-NH2 3.42Å | ||
| 34 | V | 54.6 | Low | 70.2 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 83% | 0.83 | 39% | 0.391 | S | S | * | . | trans | -82.8 | 50.1 | 177.9 | -162.3 | 0 | 0 | 0 | 0 | 111 | T32 | T32-V34 PolarHBondContact O-N 3.02Å; T32-V34 VanDerWaalsContact O-N 3.11Å | ||
| 35 | N | 55.5 | Low | 70.8 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | trans | -82.5 | 145.8 | 168.6 | -67.5 | -10.8 | 0 | 0 | 0 | 110 | D33 D37 | D33-N35 PolarHBondContact O-N 3.12Å; N35-D37 WeakPolarHBondContact CB-OD2 3.13Å; N35-D37 PolarHBondContact O-N 2.72Å | ||
| 36 | E | 56.2 | Low | 71.5 | Confident | 182 Ų | 182 | 70.1 Ų | 70.1 | 85% | 0.85 | 37% | 0.368 | S | S | * | . | trans | -76.7 | 3.2 | -174.7 | -59.7 | -167.5 | 135.5 | 0 | 0 | 114.2 | ||||
| 37 | D | 61 | Low | 71.9 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 54% | 0.535 | 37% | 0.37 | S | S | . | . | trans | -66.7 | 130.5 | -173.3 | -57 | -58.6 | 0 | 0 | 0 | 113 | N35 H39 | N35-D37 WeakPolarHBondContact CB-OD2 3.13Å; N35-D37 PolarHBondContact O-N 2.72Å; D37-H39 VanDerWaalsContact C-N 3.33Å | ||
| 38 | T | 68.4 | Low | 72.5 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -75.5 | -19.6 | 179.9 | 46 | 0 | 0 | 0 | 0 | 113.8 | L100 Q102 I103 | T38-L100 HydrophobicContact CG2-CD2 3.49Å; T38-L100 VanDerWaalsContact CG2-CD2 3.49Å; T38-L100 HydrophobicContact CG2-CG 4.1Å; T38-Q102 WeakPolarHBondContact O-CA 3.33Å; T38-I103 PolarHBondContact O-N 3.45Å |
| 39 | H | 74.6 | Confident | 73.2 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 18% | 0.181 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140 | -179.7 | -64.7 | -95.2 | 0 | 0 | 0 | 110.4 | D37 I103 H105 D233 D234 | D37-H39 VanDerWaalsContact C-N 3.33Å; H39-I103 CarbonylContact C-O 3.59Å; H39-I103 WeakPolarHBondContact CA-O 3.47Å; H39-H105 AromaticContact CE1-NE2 3.97Å; H39-H105 AromaticContact ND1-CD2 3.72Å; H39-H105 AromaticContact ND1-NE2 3.27Å; H39-H105 PolarHBondContact ND1-NE2 3.3Å; H39-D233 IonicContact CE1-OD1 3.87Å; H39-D233 IonicContact CE1-OD2 3.29Å; H39-D233 PolarHBondContact CE1-OD2 2.94Å; H39-D233 IonicContact ND1-OD2 3.61Å; H39-D233 PolarHBondContact ND1-OD2 2.72Å; H39-D234 HydrophobicContact CB-CB 4.22Å |
| 40 | R | 79.9 | Confident | 74.1 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 123.7 | -178.6 | -69.6 | 176.3 | 168.8 | -142.2 | -24.1 | 109.8 | L30 D33 I103 Y104 H105 | L30-R40 VanDerWaalsContact O-CZ 3.25Å; L30-R40 PolarHBondContact O-NH1 2.57Å; L30-R40 PolarHBondContact O-NH2 3.36Å; D33-R40 PolarHBondContact O-NH2 3.42Å; R40-I103 PolarHBondContact N-O 2.88Å; R40-Y104 HydrophobicContact CB-CD1 3.86Å; R40-Y104 HydrophobicContact CB-CE1 3.82Å; R40-Y104 WeakPolarHBondContact CD-OH 3.44Å; R40-Y104 HydrophobicContact CG-CE1 4.45Å; R40-Y104 PolarHBondContact NH1-OH 3.05Å; R40-Y104 CarbonylContact O-C 3.53Å; R40-Y104 VanDerWaalsContact O-CA 3.29Å; R40-Y104 WeakPolarHBondContact O-CA 3.26Å; R40-H105 PolarHBondContact O-N 3.14Å |
| 41 | S | 83.6 | Confident | 74.8 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.6 | 179.7 | 14.7 | 0 | 0 | 0 | 0 | 111.7 | H105 D234 | S41-H105 WeakPolarHBondContact CA-O 3.5Å; S41-D234 VanDerWaalsContact CB-OD2 3.23Å; S41-D234 WeakPolarHBondContact CB-OD2 3.36Å; S41-D234 PolarHBondContact OG-OD2 2.91Å |
| 42 | V | 86.6 | Confident | 75.8 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.8 | 165.1 | 172.9 | 0 | 0 | 0 | 0 | 108.2 | I27 L30 V44 L75 H105 R107 | I27-V42 HydrophobicContact CG1-CG2 4.45Å; L30-V42 HydrophobicContact CD1-CG2 3.51Å; V42-V44 HydrophobicContact CG1-CG2 4.32Å; V42-L75 HydrophobicContact CB-CD1 4.25Å; V42-L75 HydrophobicContact CB-CD2 4.07Å; V42-L75 HydrophobicContact CG2-CD1 4.05Å; V42-L75 HydrophobicContact CG2-CD2 4.18Å; V42-H105 PolarHBondContact N-O 2.8Å; V42-R107 PolarHBondContact O-N 2.69Å |
| 43 | V | 85.7 | Confident | 77 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 47% | 0.473 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.6 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | H23 R107 T109 | H23-V43 PolarHBondContact CE1-O 3.07Å; V43-R107 CarbonylContact C-O 3.59Å; V43-R107 VanDerWaalsContact CA-O 3.31Å; V43-R107 WeakPolarHBondContact CA-O 3.49Å; V43-R107 HydrophobicContact CG2-CB 4.24Å; V43-T109 HydrophobicContact CG1-CG2 3.52Å |
| 44 | V | 87.8 | Confident | 78.2 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.3 | -178.3 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | F15 Y18 V42 L49 T106 R107 I108 T109 | F15-V44 HydrophobicContact CE2-CG1 4.42Å; F15-V44 HydrophobicContact CE2-CG2 4.23Å; F15-V44 HydrophobicContact CZ-CG2 4.31Å; Y18-V44 HydrophobicContact CE1-CG1 3.71Å; V42-V44 HydrophobicContact CG1-CG2 4.32Å; V44-L49 HydrophobicContact CG1-CD2 4.43Å; V44-T106 HydrophobicContact CG2-CG2 4.09Å; V44-R107 PolarHBondContact N-O 3.34Å; V44-I108 WeakPolarHBondContact O-CA 3.4Å; V44-T109 PolarHBondContact O-N 2.87Å; V44-T109 PolarHBondContact O-OG1 2.94Å |
| 45 | N | 86.8 | Confident | 79.6 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.5 | 174.4 | -178.4 | 4.9 | 0 | 0 | 0 | 110.6 | M47 T48 L49 G110 | N45-M47 PolarHBondContact OD1-N 3.16Å; N45-M47 VanDerWaalsContact OD1-N 3.11Å; N45-T48 PolarHBondContact O-OG1 3.36Å; N45-L49 PolarHBondContact O-N 3.13Å; N45-G110 PolarHBondContact OD1-O 3.16Å |
| 46 | A | 85 | Confident | 81 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L49 F50 I108 T109 L111 | A46-L49 PolarHBondContact O-N 3.3Å; A46-F50 HydrophobicContact CB-CD2 4.46Å; A46-F50 HydrophobicContact CB-CE2 3.94Å; A46-F50 HydrophobicContact CB-CZ 4.01Å; A46-F50 WeakPolarHBondContact O-CB 3.32Å; A46-F50 WeakPolarHBondContact O-CD2 3.24Å; A46-F50 WeakPolarHBondContact O-CG 3.31Å; A46-F50 PolarHBondContact O-N 2.94Å; A46-I108 HydrophobicContact CB-CG2 3.87Å; A46-T109 VanDerWaalsContact CB-O 3.29Å; A46-T109 WeakPolarHBondContact CB-O 3.46Å; A46-T109 PolarHBondContact N-O 3.25Å; A46-L111 HydrophobicContact CB-CD2 3.92Å |
| 47 | M | 84.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.7 | -53.5 | 177.9 | -78.4 | 163.2 | -172.5 | 0 | 0 | 111.5 | N45 L49 F50 E51 G110 | N45-M47 PolarHBondContact OD1-N 3.16Å; N45-M47 VanDerWaalsContact OD1-N 3.11Å; M47-L49 VanDerWaalsContact C-N 3.29Å; M47-L49 PolarHBondContact O-N 3.44Å; M47-F50 PolarHBondContact O-N 3.49Å; M47-E51 WeakPolarHBondContact O-CB 3.4Å; M47-E51 VanDerWaalsContact O-CG 3.31Å; M47-E51 WeakPolarHBondContact O-CG 3.41Å; M47-E51 PolarHBondContact O-N 2.99Å; M47-G110 WeakPolarHBondContact CG-O 3.28Å; M47-G110 PolarHBondContact N-O 2.83Å |
| 48 | T | 85.1 | Confident | 83.4 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -28.9 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | Y18 N45 A52 | Y18-T48 PolarHBondContact OH-OG1 3.32Å; N45-T48 PolarHBondContact O-OG1 3.36Å; T48-A52 WeakPolarHBondContact O-CB 3.11Å; T48-A52 PolarHBondContact O-N 3.46Å; T48-A52 VanDerWaalsContact O-N 3.08Å |
| 49 | L | 85.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 172.5 | -175.3 | 66.4 | 0 | 0 | 0 | 112.1 | F15 Y18 V44 N45 A46 M47 A52 N53 F71 | F15-L49 HydrophobicContact CD2-CD1 4.06Å; Y18-L49 HydrophobicContact CD1-CD1 4Å; Y18-L49 HydrophobicContact CD2-CD1 4.15Å; Y18-L49 HydrophobicContact CE1-CD1 4.37Å; Y18-L49 HydrophobicContact CE2-CB 4.49Å; Y18-L49 HydrophobicContact CE2-CD1 4.49Å; Y18-L49 HydrophobicContact CG-CD1 3.91Å; V44-L49 HydrophobicContact CG1-CD2 4.43Å; N45-L49 PolarHBondContact O-N 3.13Å; A46-L49 PolarHBondContact O-N 3.3Å; M47-L49 VanDerWaalsContact C-N 3.29Å; M47-L49 PolarHBondContact O-N 3.44Å; L49-A52 PolarHBondContact O-N 3.21Å; L49-N53 PolarHBondContact O-N 2.72Å; L49-F71 HydrophobicContact CD2-CE2 4.02Å; L49-F71 HydrophobicContact CD2-CZ 3.91Å |
| 50 | F | 84.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.1 | -30.8 | 178.5 | -58.8 | -20.1 | 0 | 0 | 0 | 112.5 | A46 M47 A52 N53 M54 F60 P112 | A46-F50 HydrophobicContact CB-CD2 4.46Å; A46-F50 HydrophobicContact CB-CE2 3.94Å; A46-F50 HydrophobicContact CB-CZ 4.01Å; A46-F50 WeakPolarHBondContact O-CB 3.32Å; A46-F50 WeakPolarHBondContact O-CD2 3.24Å; A46-F50 WeakPolarHBondContact O-CG 3.31Å; A46-F50 PolarHBondContact O-N 2.94Å; M47-F50 PolarHBondContact O-N 3.49Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-N53 CarbonylContact O-C 3.58Å; F50-N53 VanDerWaalsContact O-C 3.24Å; F50-M54 PolarHBondContact O-N 3.45Å; F50-F60 HydrophobicContact CE1-CB 4.44Å; F50-F60 HydrophobicContact CE1-CD1 4.27Å; F50-F60 AromaticContact CZ-CD1 3.84Å; F50-F60 HydrophobicContact CZ-CD1 3.84Å; F50-F60 HydrophobicContact CZ-CE1 4.35Å; F50-P112 HydrophobicContact CE2-CG 4.46Å |
| 51 | E | 84.6 | Confident | 85.1 | Confident | 158 Ų | 158 | 50.3 Ų | 50.3 | 74% | 0.738 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.3 | -37 | 168.4 | -74.4 | 171 | 174.1 | 0 | 0 | 111.7 | M47 | M47-E51 WeakPolarHBondContact O-CB 3.4Å; M47-E51 VanDerWaalsContact O-CG 3.31Å; M47-E51 WeakPolarHBondContact O-CG 3.41Å; M47-E51 PolarHBondContact O-N 2.99Å |
| 52 | A | 83 | Confident | 85.1 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y18 T48 L49 F50 | Y18-A52 HydrophobicContact CD2-CB 4.03Å; T48-A52 WeakPolarHBondContact O-CB 3.11Å; T48-A52 PolarHBondContact O-N 3.46Å; T48-A52 VanDerWaalsContact O-N 3.08Å; L49-A52 PolarHBondContact O-N 3.21Å; F50-A52 VanDerWaalsContact C-N 3.33Å |
| 53 | N | 85.3 | Confident | 85.1 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | trans | -153 | 118.8 | 165.4 | -169.8 | -9.4 | 0 | 0 | 0 | 112.9 | V14 L49 F50 E55 V56 | V14-N53 HydrophobicContact CG1-CB 3.71Å; L49-N53 PolarHBondContact O-N 2.72Å; F50-N53 CarbonylContact O-C 3.58Å; F50-N53 VanDerWaalsContact O-C 3.24Å; N53-E55 PolarHBondContact ND2-OE2 3.43Å; N53-E55 WeakPolarHBondContact OD1-CB 3.2Å; N53-E55 PolarHBondContact OD1-N 2.97Å; N53-V56 HydrophobicContact CB-CG2 4.14Å; N53-V56 PolarHBondContact O-N 3.06Å | ||
| 54 | M | 84.1 | Confident | 85.2 | Confident | 140 Ų | 140 | 50.8 Ų | 50.8 | 69% | 0.69 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.9 | -34.8 | 177.1 | -167.6 | 177.4 | 75.2 | 0 | 0 | 113.4 | F50 V56 G57 D58 | F50-M54 PolarHBondContact O-N 3.45Å; M54-V56 VanDerWaalsContact C-N 3.28Å; M54-V56 PolarHBondContact O-N 2.99Å; M54-G57 WeakPolarHBondContact O-CA 3.45Å; M54-G57 PolarHBondContact O-N 2.92Å; M54-D58 PolarHBondContact O-N 3.24Å |
| 55 | E | 84.3 | Confident | 85 | Confident | 104 Ų | 104 | 54.8 Ų | 54.8 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | -179.9 | -60 | 174.7 | 154.3 | 0 | 0 | 111.2 | N53 G57 D58 Y59 | N53-E55 PolarHBondContact ND2-OE2 3.43Å; N53-E55 WeakPolarHBondContact OD1-CB 3.2Å; N53-E55 PolarHBondContact OD1-N 2.97Å; E55-G57 PolarHBondContact O-N 3.45Å; E55-D58 PolarHBondContact O-N 2.88Å; E55-Y59 WeakPolarHBondContact O-CD2 3.35Å; E55-Y59 PolarHBondContact O-N 2.98Å |
| 56 | V | 85.6 | Confident | 85 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | I11 V14 N53 M54 F60 F71 | I11-V56 HydrophobicContact CG2-CG1 4.44Å; V14-V56 HydrophobicContact CB-CG2 4.14Å; V14-V56 HydrophobicContact CG1-CG2 3.88Å; V14-V56 HydrophobicContact CG2-CG2 4.46Å; N53-V56 HydrophobicContact CB-CG2 4.14Å; N53-V56 PolarHBondContact O-N 3.06Å; M54-V56 VanDerWaalsContact C-N 3.28Å; M54-V56 PolarHBondContact O-N 2.99Å; V56-F60 WeakPolarHBondContact O-CB 3.49Å; V56-F60 PolarHBondContact O-N 3.39Å; V56-F71 HydrophobicContact CG1-CE1 4.36Å; V56-F71 HydrophobicContact CG1-CZ 3.95Å |
| 57 | G | 83.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M54 E55 F60 N61 | M54-G57 WeakPolarHBondContact O-CA 3.45Å; M54-G57 PolarHBondContact O-N 2.92Å; E55-G57 PolarHBondContact O-N 3.45Å; G57-F60 PolarHBondContact O-N 3.01Å; G57-N61 WeakPolarHBondContact O-CB 3.41Å; G57-N61 PolarHBondContact O-N 3.29Å; G57-N61 PolarHBondContact O-ND2 2.93Å; G57-N61 VanDerWaalsContact O-ND2 3.15Å |
| 58 | D | 84.4 | Confident | 85.3 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.8 | -71.3 | -32.3 | 0 | 0 | 0 | 111.9 | M54 E55 F60 N61 A62 | M54-D58 PolarHBondContact O-N 3.24Å; E55-D58 PolarHBondContact O-N 2.88Å; D58-F60 VanDerWaalsContact C-N 3.33Å; D58-F60 PolarHBondContact O-N 3.3Å; D58-N61 PolarHBondContact O-N 3.19Å; D58-A62 WeakPolarHBondContact O-CB 3.18Å; D58-A62 PolarHBondContact O-N 3.37Å |
| 59 | Y | 86.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 173.3 | -75 | -65.5 | 0 | 0 | 0 | 112.6 | E7 I11 E55 A62 Y63 | E7-Y59 HydrophobicContact CB-CE1 4.35Å; E7-Y59 HydrophobicContact CG-CE1 4.12Å; E7-Y59 WeakPolarHBondContact CG-OH 3.33Å; E7-Y59 WeakPolarHBondContact OE1-CE1 3.41Å; E7-Y59 VanDerWaalsContact OE1-CZ 3.29Å; E7-Y59 PolarHBondContact OE1-OH 3.07Å; I11-Y59 HydrophobicContact CD1-CD1 4.4Å; I11-Y59 HydrophobicContact CD1-CD2 4.1Å; I11-Y59 HydrophobicContact CD1-CG 3.87Å; I11-Y59 HydrophobicContact CG1-CD2 4.31Å; E55-Y59 WeakPolarHBondContact O-CD2 3.35Å; E55-Y59 PolarHBondContact O-N 2.98Å; Y59-A62 PolarHBondContact O-N 3.41Å; Y59-Y63 PolarHBondContact O-N 2.96Å |
| 60 | F | 87.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67 | -39 | 176.8 | -179.3 | -99.1 | 0 | 0 | 0 | 112.4 | F50 V56 G57 D58 P64 V67 L68 I108 L111 F131 | F50-F60 HydrophobicContact CE1-CB 4.44Å; F50-F60 HydrophobicContact CE1-CD1 4.27Å; F50-F60 AromaticContact CZ-CD1 3.84Å; F50-F60 HydrophobicContact CZ-CD1 3.84Å; F50-F60 HydrophobicContact CZ-CE1 4.35Å; V56-F60 WeakPolarHBondContact O-CB 3.49Å; V56-F60 PolarHBondContact O-N 3.39Å; G57-F60 PolarHBondContact O-N 3.01Å; D58-F60 VanDerWaalsContact C-N 3.33Å; D58-F60 PolarHBondContact O-N 3.3Å; F60-P64 HydrophobicContact CD2-CB 4.5Å; F60-P64 HydrophobicContact CE2-CB 4.35Å; F60-P64 WeakPolarHBondContact O-CA 3.34Å; F60-P64 VanDerWaalsContact O-CB 3.26Å; F60-P64 WeakPolarHBondContact O-CB 3.49Å; F60-P64 VanDerWaalsContact O-CD 3.25Å; F60-P64 WeakPolarHBondContact O-CD 3.42Å; F60-V67 HydrophobicContact CB-CG1 4.35Å; F60-V67 HydrophobicContact CD2-CB 4.3Å; F60-V67 HydrophobicContact CD2-CG1 3.91Å; F60-L68 HydrophobicContact CE2-CD2 4.33Å; F60-L68 HydrophobicContact CE2-CG 4.27Å; F60-I108 HydrophobicContact CD2-CD1 4.33Å; F60-I108 HydrophobicContact CE2-CD1 3.42Å; F60-I108 VanDerWaalsContact CE2-CD1 3.42Å; F60-I108 HydrophobicContact CZ-CD1 3.65Å; F60-L111 HydrophobicContact CE1-CD2 4.29Å; F60-F131 HydrophobicContact CE1-CB 3.91Å; F60-F131 AromaticContact CE1-CD1 3.56Å; F60-F131 HydrophobicContact CE1-CD1 3.56Å; F60-F131 HydrophobicContact CE1-CD2 4.34Å; F60-F131 HydrophobicContact CE1-CE1 4.11Å; F60-F131 AromaticContact CE1-CG 3.69Å; F60-F131 HydrophobicContact CE1-CG 3.69Å; F60-F131 HydrophobicContact CE2-CD2 4.34Å; F60-F131 HydrophobicContact CE2-CG 4.47Å; F60-F131 HydrophobicContact CZ-CB 4.01Å; F60-F131 AromaticContact CZ-CD1 3.52Å; F60-F131 HydrophobicContact CZ-CD1 3.52Å; F60-F131 AromaticContact CZ-CD2 3.63Å; F60-F131 HydrophobicContact CZ-CD2 3.63Å; F60-F131 AromaticContact CZ-CE1 3.77Å; F60-F131 HydrophobicContact CZ-CE1 3.77Å; F60-F131 AromaticContact CZ-CE2 3.88Å; F60-F131 HydrophobicContact CZ-CE2 3.88Å; F60-F131 AromaticContact CZ-CG 3.44Å; F60-F131 HydrophobicContact CZ-CG 3.44Å; F60-F131 VanDerWaalsContact CZ-CG 3.44Å; F60-F131 AromaticContact CZ-CZ 3.95Å; F60-F131 HydrophobicContact CZ-CZ 3.95Å |
| 61 | N | 83.9 | Confident | 85.9 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.3 | -69.8 | -29.5 | 0 | 0 | 0 | 112 | G57 D58 | G57-N61 WeakPolarHBondContact O-CB 3.41Å; G57-N61 PolarHBondContact O-N 3.29Å; G57-N61 PolarHBondContact O-ND2 2.93Å; G57-N61 VanDerWaalsContact O-ND2 3.15Å; D58-N61 PolarHBondContact O-N 3.19Å |
| 62 | A | 84.6 | Confident | 86 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80.8 | -39.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D58 Y59 | D58-A62 WeakPolarHBondContact O-CB 3.18Å; D58-A62 PolarHBondContact O-N 3.37Å; Y59-A62 PolarHBondContact O-N 3.41Å |
| 63 | Y | 86.3 | Confident | 86.3 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | trans | -137.3 | 54.6 | -171.4 | -61.1 | -75.9 | 0 | 0 | 0 | 113.1 | M1 I3 Y59 K65 D66 V67 | M1-Y63 HydrophobicContact CB-CE1 4.45Å; M1-Y63 WeakPolarHBondContact CB-OH 3.46Å; I3-Y63 HydrophobicContact CD1-CG 4.43Å; I3-Y63 HydrophobicContact CG1-CD2 4.13Å; I3-Y63 HydrophobicContact CG1-CG 4.03Å; Y59-Y63 PolarHBondContact O-N 2.96Å; Y63-K65 PolarHBondContact O-N 3.35Å; Y63-K65 VanDerWaalsContact O-N 3.1Å; Y63-D66 PolarHBondContact O-N 3.2Å; Y63-D66 VanDerWaalsContact O-N 3.13Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.03Å; Y63-V67 VanDerWaalsContact O-N 3.17Å | ||
| 64 | P | 86.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -30.3 | -170.1 | 22.4 | -32.8 | 0 | 0 | 0 | 114 | F60 L68 G129 F131 V250 | F60-P64 HydrophobicContact CD2-CB 4.5Å; F60-P64 HydrophobicContact CE2-CB 4.35Å; F60-P64 WeakPolarHBondContact O-CA 3.34Å; F60-P64 VanDerWaalsContact O-CB 3.26Å; F60-P64 WeakPolarHBondContact O-CB 3.49Å; F60-P64 VanDerWaalsContact O-CD 3.25Å; F60-P64 WeakPolarHBondContact O-CD 3.42Å; P64-L68 WeakPolarHBondContact O-CB 3.32Å; P64-L68 WeakPolarHBondContact O-CD1 3.31Å; P64-L68 WeakPolarHBondContact O-CG 3.42Å; P64-L68 PolarHBondContact O-N 3.45Å; P64-G129 VanDerWaalsContact CG-O 3.29Å; P64-G129 WeakPolarHBondContact CG-O 3.3Å; P64-F131 HydrophobicContact CB-CB 3.82Å; P64-F131 HydrophobicContact CB-CD2 4.3Å; P64-F131 HydrophobicContact CB-CG 4.48Å; P64-F131 HydrophobicContact CG-CB 4.12Å; P64-V250 HydrophobicContact CB-CG2 3.95Å; P64-V250 HydrophobicContact CG-CG2 3.92Å |
| 65 | K | 84.9 | Confident | 86.5 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -45 | 178.6 | -60.2 | -178.6 | -176 | -177.6 | 0 | 112 | Y63 A69 V250 Y252 | Y63-K65 PolarHBondContact O-N 3.35Å; Y63-K65 VanDerWaalsContact O-N 3.1Å; K65-A69 WeakPolarHBondContact O-CB 3.27Å; K65-A69 PolarHBondContact O-N 3.06Å; K65-V250 HydrophobicContact CG-CG1 4.26Å; K65-Y252 VanDerWaalsContact CE-CZ 3.43Å; K65-Y252 WeakPolarHBondContact CE-OH 3.14Å; K65-Y252 VanDerWaalsContact NZ-CE1 3.26Å |
| 66 | D | 86.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -79.3 | -39.1 | -174 | -60 | -18.6 | 0 | 0 | 0 | 109.9 | I3 Y63 A69 V70 | I3-D66 HydrophobicContact CD1-CB 3.65Å; I3-D66 HydrophobicContact CG1-CB 4.19Å; Y63-D66 PolarHBondContact O-N 3.2Å; Y63-D66 VanDerWaalsContact O-N 3.13Å; D66-A69 CarbonylContact O-C 3.57Å; D66-A69 PolarHBondContact O-N 3.03Å; D66-V70 WeakPolarHBondContact O-CG2 3.49Å; D66-V70 PolarHBondContact O-N 3.44Å |
| 67 | V | 87.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 112 | I3 I11 F60 Y63 A69 V70 F71 | I3-V67 HydrophobicContact CD1-CG2 3.89Å; I11-V67 HydrophobicContact CD1-CG2 4.27Å; I11-V67 HydrophobicContact CG2-CG1 4.18Å; F60-V67 HydrophobicContact CB-CG1 4.35Å; F60-V67 HydrophobicContact CD2-CB 4.3Å; F60-V67 HydrophobicContact CD2-CG1 3.91Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.03Å; Y63-V67 VanDerWaalsContact O-N 3.17Å; V67-A69 VanDerWaalsContact C-N 3.32Å; V67-A69 PolarHBondContact O-N 3.27Å; V67-V70 WeakPolarHBondContact O-CB 3.27Å; V67-V70 PolarHBondContact O-N 3.39Å; V67-F71 HydrophobicContact CG1-CD1 4.39Å; V67-F71 HydrophobicContact CG1-CD2 4.3Å; V67-F71 HydrophobicContact CG1-CE1 3.78Å; V67-F71 HydrophobicContact CG1-CE2 3.67Å; V67-F71 HydrophobicContact CG1-CZ 3.38Å; V67-F71 WeakPolarHBondContact O-CG 3.46Å; V67-F71 PolarHBondContact O-N 2.83Å |
| 68 | L | 88.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 173.5 | -75 | 168.9 | 0 | 0 | 0 | 111.6 | F60 P64 V70 F71 D72 I108 F131 N273 | F60-L68 HydrophobicContact CE2-CD2 4.33Å; F60-L68 HydrophobicContact CE2-CG 4.27Å; P64-L68 WeakPolarHBondContact O-CB 3.32Å; P64-L68 WeakPolarHBondContact O-CD1 3.31Å; P64-L68 WeakPolarHBondContact O-CG 3.42Å; P64-L68 PolarHBondContact O-N 3.45Å; L68-V70 PolarHBondContact O-N 3.01Å; L68-F71 HydrophobicContact CD2-CD2 4.49Å; L68-F71 PolarHBondContact O-N 3.08Å; L68-F71 VanDerWaalsContact O-N 3.13Å; L68-D72 PolarHBondContact O-N 3.1Å; L68-I108 HydrophobicContact CD2-CD1 3.63Å; L68-I108 HydrophobicContact CD2-CG1 4.26Å; L68-F131 HydrophobicContact CD1-CD2 4.4Å; L68-F131 HydrophobicContact CD1-CE2 4.18Å; L68-N273 HydrophobicContact CD1-CB 4.34Å; L68-N273 WeakPolarHBondContact CD2-ND2 3.39Å |
| 69 | A | 87.5 | Confident | 86.3 | Confident | 41 Ų | 41 | 38.4 Ų | 38.4 | 34% | 0.339 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67 | -20 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K65 D66 V67 K73 | K65-A69 WeakPolarHBondContact O-CB 3.27Å; K65-A69 PolarHBondContact O-N 3.06Å; D66-A69 CarbonylContact O-C 3.57Å; D66-A69 PolarHBondContact O-N 3.03Å; V67-A69 VanDerWaalsContact C-N 3.32Å; V67-A69 PolarHBondContact O-N 3.27Å; A69-K73 WeakPolarHBondContact O-CD 3.4Å; A69-K73 WeakPolarHBondContact O-CE 3.42Å; A69-K73 WeakPolarHBondContact O-CG 3.47Å |
| 70 | V | 89.4 | Confident | 86 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.9 | -44.4 | 168 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | E8 I11 D66 V67 L68 D72 K73 V74 | E8-V70 HydrophobicContact CB-CG2 4.24Å; E8-V70 HydrophobicContact CG-CG2 4.09Å; I11-V70 HydrophobicContact CG2-CG1 4.12Å; D66-V70 WeakPolarHBondContact O-CG2 3.49Å; D66-V70 PolarHBondContact O-N 3.44Å; V67-V70 WeakPolarHBondContact O-CB 3.27Å; V67-V70 PolarHBondContact O-N 3.39Å; L68-V70 PolarHBondContact O-N 3.01Å; V70-D72 PolarHBondContact O-N 2.89Å; V70-K73 WeakPolarHBondContact O-CB 3.44Å; V70-K73 PolarHBondContact O-N 2.6Å; V70-V74 HydrophobicContact CG1-CG2 4.44Å; V70-V74 WeakPolarHBondContact O-CG2 3.33Å; V70-V74 PolarHBondContact O-N 3.2Å |
| 71 | F | 88.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 178 | -64.8 | -16.4 | 0 | 0 | 0 | 112.2 | I11 F15 L49 V56 V67 L68 K73 V74 L75 T106 I108 | I11-F71 HydrophobicContact CG2-CD1 4.41Å; I11-F71 HydrophobicContact CG2-CE1 3.73Å; F15-F71 HydrophobicContact CB-CD1 3.84Å; F15-F71 HydrophobicContact CB-CE1 3.84Å; F15-F71 HydrophobicContact CD1-CB 3.94Å; F15-F71 AromaticContact CD1-CD1 3.57Å; F15-F71 HydrophobicContact CD1-CD1 3.57Å; F15-F71 HydrophobicContact CD1-CE1 4.35Å; F15-F71 AromaticContact CD1-CG 3.95Å; F15-F71 HydrophobicContact CD1-CG 3.95Å; F15-F71 AromaticContact CD2-CD1 3.85Å; F15-F71 HydrophobicContact CD2-CD1 3.85Å; F15-F71 AromaticContact CD2-CE1 3.91Å; F15-F71 HydrophobicContact CD2-CE1 3.91Å; F15-F71 HydrophobicContact CD2-CG 4.24Å; F15-F71 HydrophobicContact CD2-CZ 4.35Å; F15-F71 HydrophobicContact CE1-CB 3.56Å; F15-F71 HydrophobicContact CE1-CD1 4.03Å; F15-F71 AromaticContact CE1-CG 3.91Å; F15-F71 HydrophobicContact CE1-CG 3.91Å; F15-F71 HydrophobicContact CE2-CD1 4.29Å; F15-F71 HydrophobicContact CE2-CD2 4.43Å; F15-F71 HydrophobicContact CE2-CG 4.21Å; F15-F71 AromaticContact CG-CD1 3.47Å; F15-F71 HydrophobicContact CG-CD1 3.47Å; F15-F71 VanDerWaalsContact CG-CD1 3.47Å; F15-F71 AromaticContact CG-CE1 3.79Å; F15-F71 HydrophobicContact CG-CE1 3.79Å; F15-F71 HydrophobicContact CG-CG 4.12Å; F15-F71 HydrophobicContact CZ-CB 3.95Å; F15-F71 HydrophobicContact CZ-CD1 4.37Å; F15-F71 HydrophobicContact CZ-CD2 4.49Å; F15-F71 HydrophobicContact CZ-CG 4.05Å; L49-F71 HydrophobicContact CD2-CE2 4.02Å; L49-F71 HydrophobicContact CD2-CZ 3.91Å; V56-F71 HydrophobicContact CG1-CE1 4.36Å; V56-F71 HydrophobicContact CG1-CZ 3.95Å; V67-F71 HydrophobicContact CG1-CD1 4.39Å; V67-F71 HydrophobicContact CG1-CD2 4.3Å; V67-F71 HydrophobicContact CG1-CE1 3.78Å; V67-F71 HydrophobicContact CG1-CE2 3.67Å; V67-F71 HydrophobicContact CG1-CZ 3.38Å; V67-F71 WeakPolarHBondContact O-CG 3.46Å; V67-F71 PolarHBondContact O-N 2.83Å; L68-F71 HydrophobicContact CD2-CD2 4.49Å; L68-F71 PolarHBondContact O-N 3.08Å; L68-F71 VanDerWaalsContact O-N 3.13Å; F71-K73 VanDerWaalsContact C-N 3.34Å; F71-K73 PolarHBondContact O-N 2.82Å; F71-V74 PolarHBondContact O-N 3.19Å; F71-V74 VanDerWaalsContact O-N 3.14Å; F71-L75 WeakPolarHBondContact O-CB 3.42Å; F71-L75 PolarHBondContact O-N 3.25Å; F71-T106 HydrophobicContact CB-CG2 3.99Å; F71-T106 HydrophobicContact CD2-CG2 4.21Å; F71-I108 HydrophobicContact CD2-CD1 4.35Å; F71-I108 HydrophobicContact CE2-CD1 4.15Å |
| 72 | D | 88.4 | Confident | 85.3 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 179 | -63.4 | -23.1 | 0 | 0 | 0 | 112.6 | L68 V70 Q76 T106 | L68-D72 PolarHBondContact O-N 3.1Å; V70-D72 PolarHBondContact O-N 2.89Å; D72-Q76 WeakPolarHBondContact O-CB 3.47Å; D72-Q76 PolarHBondContact O-N 3.39Å; D72-T106 VanDerWaalsContact OD1-CB 3.27Å; D72-T106 WeakPolarHBondContact OD1-CB 3.36Å; D72-T106 PolarHBondContact OD1-N 3.28Å; D72-T106 PolarHBondContact OD1-OG1 3.5Å |
| 73 | K | 87.8 | Confident | 84.6 | Confident | 115 Ų | 115 | 43 Ų | 43 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.3 | -68 | 162.6 | -162.9 | 160.4 | 0 | 111.2 | A69 V70 F71 K77 | A69-K73 WeakPolarHBondContact O-CD 3.4Å; A69-K73 WeakPolarHBondContact O-CE 3.42Å; A69-K73 WeakPolarHBondContact O-CG 3.47Å; V70-K73 WeakPolarHBondContact O-CB 3.44Å; V70-K73 PolarHBondContact O-N 2.6Å; F71-K73 VanDerWaalsContact C-N 3.34Å; F71-K73 PolarHBondContact O-N 2.82Å; K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.84Å |
| 74 | V | 88.4 | Confident | 83.7 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F15 E16 L19 V70 F71 K77 K78 | F15-V74 HydrophobicContact CD1-CB 4.01Å; F15-V74 HydrophobicContact CD1-CG1 3.87Å; E16-V74 HydrophobicContact CB-CG1 3.85Å; E16-V74 HydrophobicContact CG-CG1 4.24Å; L19-V74 HydrophobicContact CD1-CG1 4.31Å; V70-V74 HydrophobicContact CG1-CG2 4.44Å; V70-V74 WeakPolarHBondContact O-CG2 3.33Å; V70-V74 PolarHBondContact O-N 3.2Å; F71-V74 PolarHBondContact O-N 3.19Å; F71-V74 VanDerWaalsContact O-N 3.14Å; V74-K77 WeakPolarHBondContact O-CB 3.43Å; V74-K77 PolarHBondContact O-N 3.36Å; V74-K78 PolarHBondContact O-N 3.29Å |
| 75 | L | 85.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.8 | -170.4 | 65.5 | 0 | 0 | 0 | 111 | L19 I27 V42 F71 K77 K78 A79 | L19-L75 HydrophobicContact CD1-CD1 3.8Å; L19-L75 HydrophobicContact CD2-CD1 4.08Å; I27-L75 HydrophobicContact CD1-CD1 4.32Å; V42-L75 HydrophobicContact CB-CD1 4.25Å; V42-L75 HydrophobicContact CB-CD2 4.07Å; V42-L75 HydrophobicContact CG2-CD1 4.05Å; V42-L75 HydrophobicContact CG2-CD2 4.18Å; F71-L75 WeakPolarHBondContact O-CB 3.42Å; F71-L75 PolarHBondContact O-N 3.25Å; L75-K77 PolarHBondContact O-N 3.19Å; L75-K78 PolarHBondContact O-N 3.47Å; L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 2.84Å |
| 76 | Q | 85.8 | Confident | 81.2 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -38.2 | 173.9 | -179 | 160.6 | 89.2 | 0 | 0 | 112.3 | D72 L80 Q102 | D72-Q76 WeakPolarHBondContact O-CB 3.47Å; D72-Q76 PolarHBondContact O-N 3.39Å; Q76-L80 HydrophobicContact CG-CD1 4.22Å; Q76-L80 VanDerWaalsContact O-CG 3.29Å; Q76-L80 WeakPolarHBondContact O-CG 3.29Å; Q76-L80 PolarHBondContact O-N 3.43Å; Q76-L80 VanDerWaalsContact O-N 3.12Å; Q76-Q102 PolarHBondContact NE2-O 3.34Å |
| 77 | K | 86.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 172.6 | 172.6 | -179.4 | 176.1 | -70 | 0 | 111.5 | E16 K73 V74 L75 L80 E81 | E16-K77 IonicContact OE1-NZ 3.38Å; E16-K77 PolarHBondContact OE1-NZ 2.9Å; E16-K77 IonicContact OE2-NZ 2.66Å; E16-K77 PolarHBondContact OE2-NZ 2.82Å; K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.84Å; V74-K77 WeakPolarHBondContact O-CB 3.43Å; V74-K77 PolarHBondContact O-N 3.36Å; L75-K77 PolarHBondContact O-N 3.19Å; K77-L80 PolarHBondContact O-N 3.31Å; K77-E81 WeakPolarHBondContact CE-OE1 3.21Å; K77-E81 VanDerWaalsContact CG-OE1 3.31Å; K77-E81 WeakPolarHBondContact CG-OE1 3.5Å; K77-E81 IonicContact NZ-OE1 2.97Å; K77-E81 PolarHBondContact NZ-OE1 3.03Å; K77-E81 IonicContact NZ-OE2 3.71Å; K77-E81 WeakPolarHBondContact O-CG 3.3Å; K77-E81 PolarHBondContact O-N 3.2Å |
| 78 | K | 82.7 | Confident | 78.3 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.9 | -82.5 | -71.4 | 167.9 | -145.4 | 0 | 113.4 | E16 V74 L75 L80 E81 L82 | E16-K78 VanDerWaalsContact CD-CE 3.43Å; E16-K78 HydrophobicContact CG-CD 4.33Å; E16-K78 HydrophobicContact CG-CG 4.27Å; E16-K78 WeakPolarHBondContact OE1-CE 3.32Å; E16-K78 IonicContact OE1-NZ 3.44Å; E16-K78 PolarHBondContact OE1-NZ 3.1Å; V74-K78 PolarHBondContact O-N 3.29Å; L75-K78 PolarHBondContact O-N 3.47Å; K78-L80 VanDerWaalsContact C-N 3.28Å; K78-L80 PolarHBondContact O-N 3.03Å; K78-E81 WeakPolarHBondContact CD-OE2 3.41Å; K78-E81 WeakPolarHBondContact CE-OE2 3.1Å; K78-E81 IonicContact NZ-OE2 3.42Å; K78-E81 PolarHBondContact NZ-OE2 3.27Å; K78-E81 PolarHBondContact O-N 3.17Å; K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 2.86Å |
| 79 | A | 79.1 | Confident | 76.6 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L75 T83 Y104 | L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 2.84Å; A79-T83 WeakPolarHBondContact O-CB 3.41Å; A79-T83 PolarHBondContact O-N 2.77Å; A79-T83 PolarHBondContact O-OG1 3Å; A79-Y104 HydrophobicContact CB-CD1 4.31Å; A79-Y104 HydrophobicContact CB-CD2 3.87Å; A79-Y104 HydrophobicContact CB-CE1 4.1Å; A79-Y104 HydrophobicContact CB-CE2 3.65Å; A79-Y104 HydrophobicContact CB-CG 4.21Å |
| 80 | L | 80.1 | Confident | 74.7 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.3 | -48 | 173.8 | -71.3 | 167.4 | 0 | 0 | 0 | 112 | Q76 K77 K78 L82 T83 D84 | Q76-L80 HydrophobicContact CG-CD1 4.22Å; Q76-L80 VanDerWaalsContact O-CG 3.29Å; Q76-L80 WeakPolarHBondContact O-CG 3.29Å; Q76-L80 PolarHBondContact O-N 3.43Å; Q76-L80 VanDerWaalsContact O-N 3.12Å; K77-L80 PolarHBondContact O-N 3.31Å; K78-L80 VanDerWaalsContact C-N 3.28Å; K78-L80 PolarHBondContact O-N 3.03Å; L80-L82 PolarHBondContact O-N 3.29Å; L80-T83 WeakPolarHBondContact O-CA 3Å; L80-T83 WeakPolarHBondContact O-CB 3.49Å; L80-T83 PolarHBondContact O-N 2.87Å; L80-D84 PolarHBondContact O-N 2.91Å |
| 81 | E | 81.1 | Confident | 72.5 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.2 | -48.1 | 177.3 | -73.2 | 169.2 | -172.8 | 0 | 0 | 112 | K77 K78 T83 D84 E85 | K77-E81 WeakPolarHBondContact CE-OE1 3.21Å; K77-E81 VanDerWaalsContact CG-OE1 3.31Å; K77-E81 WeakPolarHBondContact CG-OE1 3.5Å; K77-E81 IonicContact NZ-OE1 2.97Å; K77-E81 PolarHBondContact NZ-OE1 3.03Å; K77-E81 IonicContact NZ-OE2 3.71Å; K77-E81 WeakPolarHBondContact O-CG 3.3Å; K77-E81 PolarHBondContact O-N 3.2Å; K78-E81 WeakPolarHBondContact CD-OE2 3.41Å; K78-E81 WeakPolarHBondContact CE-OE2 3.1Å; K78-E81 IonicContact NZ-OE2 3.42Å; K78-E81 PolarHBondContact NZ-OE2 3.27Å; K78-E81 PolarHBondContact O-N 3.17Å; E81-T83 VanDerWaalsContact C-N 3.26Å; E81-T83 PolarHBondContact O-N 3.23Å; E81-D84 PolarHBondContact O-N 3.24Å; E81-E85 PolarHBondContact O-N 3.47Å |
| 82 | L | 73.6 | Confident | 70.4 | Confident | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.1 | -23.1 | 178 | -69.1 | 168.1 | 0 | 0 | 0 | 113.4 | I27 K78 L80 | I27-L82 HydrophobicContact CB-CD1 4.32Å; I27-L82 HydrophobicContact CG2-CD1 3.64Å; K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 2.86Å; L80-L82 PolarHBondContact O-N 3.29Å |
| 83 | T | 69.9 | Low | 68.1 | Low | 72 Ų | 72 | 81.3 Ų | 81.3 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -76.7 | -45 | 173.1 | -62 | 0 | 0 | 0 | 0 | 111 | A79 L80 E81 A86 S87 | A79-T83 WeakPolarHBondContact O-CB 3.41Å; A79-T83 PolarHBondContact O-N 2.77Å; A79-T83 PolarHBondContact O-OG1 3Å; L80-T83 WeakPolarHBondContact O-CA 3Å; L80-T83 WeakPolarHBondContact O-CB 3.49Å; L80-T83 PolarHBondContact O-N 2.87Å; E81-T83 VanDerWaalsContact C-N 3.26Å; E81-T83 PolarHBondContact O-N 3.23Å; T83-A86 PolarHBondContact O-N 3.43Å; T83-S87 PolarHBondContact O-N 3.45Å; T83-S87 VanDerWaalsContact O-N 3.16Å |
| 84 | D | 69.1 | Low | 65.7 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 179.6 | -78.4 | -17 | 0 | 0 | 0 | 111.7 | L80 E81 A86 S87 L88 | L80-D84 PolarHBondContact O-N 2.91Å; E81-D84 PolarHBondContact O-N 3.24Å; D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 2.96Å; D84-S87 WeakPolarHBondContact O-CB 3.36Å; D84-S87 PolarHBondContact O-N 2.74Å; D84-S87 VanDerWaalsContact O-N 3.15Å; D84-S87 PolarHBondContact O-OG 2.76Å; D84-L88 PolarHBondContact O-N 2.95Å |
| 85 | E | 62.1 | Low | 63.7 | Low | 115 Ų | 115 | 84.4 Ų | 84.4 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.4 | -35.5 | 174.3 | -79 | -163.1 | -174.7 | 0 | 0 | 113.3 | E81 | E81-E85 PolarHBondContact O-N 3.47Å |
| 86 | A | 55.5 | Low | 61.6 | Low | 16 Ų | 16 | 87.7 Ų | 87.7 | 13% | 0.132 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R31 T83 D84 L88 K89 D90 | R31-A86 VanDerWaalsContact NH1-CB 3.34Å; T83-A86 PolarHBondContact O-N 3.43Å; D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 2.96Å; A86-L88 PolarHBondContact O-N 3.28Å; A86-K89 PolarHBondContact O-N 3.13Å; A86-D90 PolarHBondContact O-N 2.86Å |
| 87 | S | 58.3 | Low | 59.5 | Low | 67 Ų | 67 | 94.1 Ų | 94.1 | 47% | 0.469 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -26.8 | 177.9 | 82.2 | 0 | 0 | 0 | 0 | 113.3 | T83 D84 | T83-S87 PolarHBondContact O-N 3.45Å; T83-S87 VanDerWaalsContact O-N 3.16Å; D84-S87 WeakPolarHBondContact O-CB 3.36Å; D84-S87 PolarHBondContact O-N 2.74Å; D84-S87 VanDerWaalsContact O-N 3.15Å; D84-S87 PolarHBondContact O-OG 2.76Å |
| 88 | L | 55.5 | Low | 57.4 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.6 | -26 | 176.8 | -70.6 | 171.7 | 0 | 0 | 0 | 113.3 | D84 A86 | D84-L88 PolarHBondContact O-N 2.95Å; A86-L88 PolarHBondContact O-N 3.28Å |
| 89 | K | 52.4 | Low | 55.7 | Low | 175 Ų | 175 | 103.5 Ų | 103.5 | 76% | 0.761 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -84 | -28.9 | 177.7 | -68.4 | 169.9 | -177.6 | 161.2 | 0 | 112.3 | A86 | A86-K89 PolarHBondContact O-N 3.13Å |
| 90 | D | 48.4 | Very low | 54.6 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 65% | 0.647 | 61% | 0.614 | S | S | * | * | trans | -104.2 | 46.4 | -171.8 | -153 | -3.2 | 0 | 0 | 0 | 114 | A86 G92 | A86-D90 PolarHBondContact O-N 2.86Å; D90-G92 PolarHBondContact O-N 2.89Å | ||
| 91 | K | 43.6 | Very low | 53.7 | Low | 173 Ų | 173 | 113.3 Ų | 113.3 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 50.4 | 175 | -69.4 | -176.7 | 177.5 | 173.7 | 0 | 111.9 | ||
| 92 | G | 45.1 | Very low | 53.1 | Low | 48 Ų | 48 | 113.2 Ų | 113.2 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.8 | -27 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | D90 | D90-G92 PolarHBondContact O-N 2.89Š|
| 93 | Q | 38.9 | Very low | 53.3 | Low | 192 Ų | 192 | 114.5 Ų | 114.5 | 90% | 0.897 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -166.4 | 152.3 | 178.1 | -110.8 | 137.2 | 97.1 | 0 | 0 | 113.9 | ||
| 94 | G | 38.1 | Very low | 53.9 | Low | 74 Ų | 74 | 112 Ų | 112 | 76% | 0.763 | 61% | 0.612 | S | S | * | * | trans | 74.2 | 59.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | G96 | G94-G96 PolarHBondContact O-N 3.04Š| ||
| 95 | A | 45.7 | Very low | 54.6 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 99% | 0.992 | 59% | 0.591 | S | S | * | * | trans | -67 | 94.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 96 | G | 41.3 | Very low | 55.9 | Low | 70 Ų | 70 | 102.6 Ų | 102.6 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | trans | -158.4 | -7.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | G94 | G94-G96 PolarHBondContact O-N 3.04Š| ||
| 97 | Q | 42 | Very low | 57.5 | Low | 189 Ų | 189 | 102.6 Ų | 102.6 | 88% | 0.883 | 56% | 0.562 | S | S | * | * | trans | -131.3 | 113.3 | 175.7 | -72.1 | -173.9 | -14.4 | 0 | 0 | 111.5 | G99 | Q97-G99 PolarHBondContact O-N 3.23Š| ||
| 98 | R | 42.4 | Very low | 59 | Low | 251 Ų | 251 | 99.5 Ų | 99.5 | 95% | 0.947 | 54% | 0.54 | S | S | * | . | trans | -74 | 109.3 | 154.3 | -84.8 | -177.9 | 168.4 | 176.1 | -4.2 | 106.3 | ||||
| 99 | G | 48 | Very low | 60.5 | Low | 65 Ų | 65 | 94.8 Ų | 94.8 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | trans | -56.1 | 152.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q97 | Q97-G99 PolarHBondContact O-N 3.23Š| ||
| 100 | L | 56.1 | Low | 61.6 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 62% | 0.618 | 49% | 0.489 | S | S | * | . | trans | -55.7 | 141.2 | 172 | -148.9 | 66 | 0 | 0 | 0 | 109.1 | T38 Q102 | T38-L100 HydrophobicContact CG2-CD2 3.49Å; T38-L100 VanDerWaalsContact CG2-CD2 3.49Å; T38-L100 HydrophobicContact CG2-CG 4.1Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.24Å | ||
| 101 | R | 59.8 | Low | 63.2 | Low | 197 Ų | 197 | 81.9 Ų | 81.9 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | trans | -72.1 | 88.5 | -177.4 | -174.3 | -173.4 | 177.9 | -168.4 | -2.7 | 110 | I103 | R101-I103 PolarHBondContact O-N 3.46Š| ||
| 102 | Q | 68.8 | Low | 64.7 | Low | 63 Ų | 63 | 75.4 Ų | 75.4 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | trans | -65.1 | 129.3 | 176.4 | -70.4 | 171.9 | -7 | 0 | 0 | 110.8 | T38 Q76 L100 Y104 | T38-Q102 WeakPolarHBondContact O-CA 3.33Å; Q76-Q102 PolarHBondContact NE2-O 3.34Å; L100-Q102 VanDerWaalsContact C-N 3.32Å; L100-Q102 PolarHBondContact O-N 3.24Å; Q102-Y104 HydrophobicContact CB-CD2 4.36Å; Q102-Y104 HydrophobicContact CB-CE2 3.67Å; Q102-Y104 PolarHBondContact OE1-OH 3.32Å | ||
| 103 | I | 78.1 | Confident | 65.7 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.6 | 173.7 | -62 | 176.9 | 0 | 0 | 0 | 107 | T38 H39 R40 R101 | T38-I103 PolarHBondContact O-N 3.45Å; H39-I103 CarbonylContact C-O 3.59Å; H39-I103 WeakPolarHBondContact CA-O 3.47Å; R40-I103 PolarHBondContact N-O 2.88Å; R101-I103 PolarHBondContact O-N 3.46Å |
| 104 | Y | 82 | Confident | 66.8 | Low | 20 Ų | 20 | 72 Ų | 72 | 8% | 0.078 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130 | -179 | -73 | -94.7 | 0 | 0 | 0 | 109.2 | L30 R40 A79 Q102 | L30-Y104 HydrophobicContact CD1-CE1 4.38Å; R40-Y104 HydrophobicContact CB-CD1 3.86Å; R40-Y104 HydrophobicContact CB-CE1 3.82Å; R40-Y104 WeakPolarHBondContact CD-OH 3.44Å; R40-Y104 HydrophobicContact CG-CE1 4.45Å; R40-Y104 PolarHBondContact NH1-OH 3.05Å; R40-Y104 CarbonylContact O-C 3.53Å; R40-Y104 VanDerWaalsContact O-CA 3.29Å; R40-Y104 WeakPolarHBondContact O-CA 3.26Å; A79-Y104 HydrophobicContact CB-CD1 4.31Å; A79-Y104 HydrophobicContact CB-CD2 3.87Å; A79-Y104 HydrophobicContact CB-CE1 4.1Å; A79-Y104 HydrophobicContact CB-CE2 3.65Å; A79-Y104 HydrophobicContact CB-CG 4.21Å; Q102-Y104 HydrophobicContact CB-CD2 4.36Å; Q102-Y104 HydrophobicContact CB-CE2 3.67Å; Q102-Y104 PolarHBondContact OE1-OH 3.32Å |
| 105 | H | 85.4 | Confident | 68 | Low | 22 Ų | 22 | 73.6 Ų | 73.6 | 10% | 0.102 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.3 | -174.1 | -73.3 | -40.4 | 0 | 0 | 0 | 111.5 | H39 R40 S41 V42 R107 D233 D234 | H39-H105 AromaticContact CE1-NE2 3.97Å; H39-H105 AromaticContact ND1-CD2 3.72Å; H39-H105 AromaticContact ND1-NE2 3.27Å; H39-H105 PolarHBondContact ND1-NE2 3.3Å; R40-H105 PolarHBondContact O-N 3.14Å; S41-H105 WeakPolarHBondContact CA-O 3.5Å; V42-H105 PolarHBondContact N-O 2.8Å; H105-R107 PolarHBondContact CD2-NH2 3.14Å; H105-R107 VanDerWaalsContact CD2-NH2 3.28Å; H105-D233 IonicContact CD2-OD2 2.78Å; H105-D233 IonicContact CE1-OD2 3.76Å; H105-D233 PolarHBondContact CE1-OD2 2.71Å; H105-D233 IonicContact NE2-OD2 3.36Å; H105-D233 PolarHBondContact NE2-OD2 3.49Å; H105-D234 IonicContact CD2-OD1 2.69Å; H105-D234 PolarHBondContact CD2-OD1 3.06Å |
| 106 | T | 87.6 | Confident | 68.7 | Low | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 100.3 | -175.3 | -44.4 | 0 | 0 | 0 | 0 | 111.7 | F15 V44 F71 D72 N273 | F15-T106 HydrophobicContact CE1-CG2 4.43Å; F15-T106 HydrophobicContact CE2-CG2 4.38Å; F15-T106 HydrophobicContact CZ-CG2 3.66Å; V44-T106 HydrophobicContact CG2-CG2 4.09Å; F71-T106 HydrophobicContact CB-CG2 3.99Å; F71-T106 HydrophobicContact CD2-CG2 4.21Å; D72-T106 VanDerWaalsContact OD1-CB 3.27Å; D72-T106 WeakPolarHBondContact OD1-CB 3.36Å; D72-T106 PolarHBondContact OD1-N 3.28Å; D72-T106 PolarHBondContact OD1-OG1 3.5Å; T106-N273 PolarHBondContact O-ND2 2.79Å; T106-N273 PolarHBondContact O-OD1 2.59Å |
| 107 | R | 90.4 | Very high | 69.6 | Low | 15 Ų | 15 | 72 Ų | 72 | 6% | 0.057 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.2 | -177.4 | -59.2 | -63.2 | 168.2 | -134.7 | 1.7 | 110.2 | V42 V43 V44 H105 D234 N273 N274 | V42-R107 PolarHBondContact O-N 2.69Å; V43-R107 CarbonylContact C-O 3.59Å; V43-R107 VanDerWaalsContact CA-O 3.31Å; V43-R107 WeakPolarHBondContact CA-O 3.49Å; V43-R107 HydrophobicContact CG2-CB 4.24Å; V44-R107 PolarHBondContact N-O 3.34Å; H105-R107 PolarHBondContact CD2-NH2 3.14Å; H105-R107 VanDerWaalsContact CD2-NH2 3.28Å; R107-D234 IonicContact CZ-OD1 3.53Å; R107-D234 IonicContact CZ-OD2 3.35Å; R107-D234 IonicContact NE-OD1 3.45Å; R107-D234 IonicContact NE-OD2 3.75Å; R107-D234 PolarHBondContact NE-OD2 2.78Å; R107-D234 IonicContact NH2-OD1 2.75Å; R107-D234 PolarHBondContact NH2-OD1 3.4Å; R107-D234 IonicContact NH2-OD2 2.73Å; R107-N273 WeakPolarHBondContact CD-O 3.44Å; R107-N273 PolarHBondContact NE-O 3.25Å; R107-N273 PolarHBondContact NH1-O 2.66Å; R107-N273 PolarHBondContact NH1-OD1 3.24Å; R107-N274 HydrophobicContact CB-CB 4.2Å |
| 108 | I | 89.4 | Confident | 70.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.5 | -177.3 | -62.2 | -179.6 | 0 | 0 | 0 | 111.2 | V44 A46 F60 L68 F71 F131 N273 N274 | V44-I108 WeakPolarHBondContact O-CA 3.4Å; A46-I108 HydrophobicContact CB-CG2 3.87Å; F60-I108 HydrophobicContact CD2-CD1 4.33Å; F60-I108 HydrophobicContact CE2-CD1 3.42Å; F60-I108 VanDerWaalsContact CE2-CD1 3.42Å; F60-I108 HydrophobicContact CZ-CD1 3.65Å; L68-I108 HydrophobicContact CD2-CD1 3.63Å; L68-I108 HydrophobicContact CD2-CG1 4.26Å; F71-I108 HydrophobicContact CD2-CD1 4.35Å; F71-I108 HydrophobicContact CE2-CD1 4.15Å; I108-F131 HydrophobicContact CB-CZ 4.21Å; I108-F131 HydrophobicContact CG2-CE1 4.41Å; I108-F131 HydrophobicContact CG2-CZ 4.43Å; I108-N273 PolarHBondContact N-ND2 3.12Å; I108-N274 WeakPolarHBondContact O-CB 3.31Å; I108-N274 PolarHBondContact O-ND2 3.46Å |
| 109 | T | 86.1 | Confident | 72 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 172.9 | 176.5 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | V43 V44 A46 L111 N274 E276 | V43-T109 HydrophobicContact CG1-CG2 3.52Å; V44-T109 PolarHBondContact O-N 2.87Å; V44-T109 PolarHBondContact O-OG1 2.94Å; A46-T109 VanDerWaalsContact CB-O 3.29Å; A46-T109 WeakPolarHBondContact CB-O 3.46Å; A46-T109 PolarHBondContact N-O 3.25Å; T109-L111 PolarHBondContact O-N 2.98Å; T109-N274 WeakPolarHBondContact CG2-ND2 3.19Å; T109-E276 VanDerWaalsContact CB-OE1 3.29Å; T109-E276 WeakPolarHBondContact CB-OE1 3.33Å; T109-E276 HydrophobicContact CG2-CG 4.33Å; T109-E276 WeakPolarHBondContact CG2-OE1 3.18Å |
| 110 | G | 76.8 | Confident | 72.7 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 19% | 0.186 | 28% | 0.283 | C | S | . | . | trans | 63 | 42.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N45 M47 | N45-G110 PolarHBondContact OD1-O 3.16Å; M47-G110 WeakPolarHBondContact CG-O 3.28Å; M47-G110 PolarHBondContact N-O 2.83Å | ||
| 111 | L | 81.8 | Confident | 73.4 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | trans | -59.1 | 144 | 169.7 | -67 | 179.4 | 0 | 0 | 0 | 111.4 | A46 F60 T109 L117 T118 F131 Y248 | A46-L111 HydrophobicContact CB-CD2 3.92Å; F60-L111 HydrophobicContact CE1-CD2 4.29Å; T109-L111 PolarHBondContact O-N 2.98Å; L111-L117 HydrophobicContact CD1-CB 4.35Å; L111-T118 HydrophobicContact CB-CG2 4.42Å; L111-F131 HydrophobicContact CD1-CD1 3.74Å; L111-F131 HydrophobicContact CD1-CE1 3.86Å; L111-F131 HydrophobicContact CD2-CD1 4.05Å; L111-F131 HydrophobicContact CD2-CE1 4.04Å; L111-F131 HydrophobicContact CG-CD1 4.39Å; L111-F131 HydrophobicContact CG-CE1 4.21Å; L111-Y248 HydrophobicContact CB-CE1 4.2Å; L111-Y248 HydrophobicContact CD1-CD1 3.89Å; L111-Y248 HydrophobicContact CD1-CE1 4.2Å; L111-Y248 HydrophobicContact CG-CD1 3.87Å; L111-Y248 HydrophobicContact CG-CE1 3.91Å | ||
| 112 | P | 74.6 | Confident | 74.3 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | trans | -61.2 | 145.7 | 172.7 | 27 | -34.5 | 0 | 0 | 0 | 111.4 | F50 C114 L117 T118 | F50-P112 HydrophobicContact CE2-CG 4.46Å; P112-C114 PolarHBondContact O-N 3.41Å; P112-L117 HydrophobicContact CG-CD1 3.89Å; P112-T118 WeakPolarHBondContact O-CG2 3.35Å | ||
| 113 | V | 66.9 | Low | 74.7 | Confident | 121 Ų | 121 | 41.5 Ų | 41.5 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | trans | -80 | 55.6 | -171 | -163.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 114 | C | 62.4 | Low | 74.7 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 32% | 0.324 | 25% | 0.246 | S | C | . | . | trans | -91.5 | 140.4 | 174 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | P112 E116 L117 T118 | P112-C114 PolarHBondContact O-N 3.41Å; C114-E116 PolarHBondContact O-N 2.77Å; C114-L117 PolarHBondContact O-N 3.17Å; C114-L117 VanDerWaalsContact O-N 3.1Å; C114-T118 PolarHBondContact O-N 3.22Å; C114-T118 PolarHBondContact O-OG1 2.67Å | ||
| 115 | P | 62.8 | Low | 74.6 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 69% | 0.688 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.1 | 176.2 | -24.1 | 35.1 | 0 | 0 | 0 | 114.5 | R119 | P115-R119 PolarHBondContact O-NE 2.98Š|
| 116 | E | 59.8 | Low | 74.5 | Confident | 136 Ų | 136 | 56.4 Ų | 56.4 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -47.7 | 170.2 | -67.8 | 93.3 | -160.5 | 0 | 0 | 111.7 | C114 R119 L132 | C114-E116 PolarHBondContact O-N 2.77Å; E116-R119 PolarHBondContact O-NE 2.68Å; E116-R119 PolarHBondContact O-NH2 3.1Å; E116-L132 WeakPolarHBondContact O-CD2 3.43Å |
| 117 | L | 60 | Low | 74.2 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -29.7 | -169.2 | -67.4 | 168.1 | 0 | 0 | 0 | 114.4 | L111 P112 C114 F131 L132 S133 | L111-L117 HydrophobicContact CD1-CB 4.35Å; P112-L117 HydrophobicContact CG-CD1 3.89Å; C114-L117 PolarHBondContact O-N 3.17Å; C114-L117 VanDerWaalsContact O-N 3.1Å; L117-F131 WeakPolarHBondContact CD2-O 3.45Å; L117-L132 WeakPolarHBondContact O-CA 3.4Å; L117-S133 PolarHBondContact O-N 3.23Å |
| 118 | T | 66 | Low | 73.9 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.5 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | L111 P112 C114 | L111-T118 HydrophobicContact CB-CG2 4.42Å; P112-T118 WeakPolarHBondContact O-CG2 3.35Å; C114-T118 PolarHBondContact O-N 3.22Å; C114-T118 PolarHBondContact O-OG1 2.67Å |
| 119 | R | 69.6 | Low | 73.7 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 107.4 | -168.5 | -63.1 | -61.2 | 176.7 | 83.3 | 5.1 | 112 | P115 E116 T121 D127 L132 S133 V134 T135 | P115-R119 PolarHBondContact O-NE 2.98Å; E116-R119 PolarHBondContact O-NE 2.68Å; E116-R119 PolarHBondContact O-NH2 3.1Å; R119-T121 VanDerWaalsContact C-N 3.31Å; R119-D127 IonicContact CZ-OD1 2.77Å; R119-D127 VanDerWaalsContact CZ-OD1 3.26Å; R119-D127 IonicContact CZ-OD2 3.67Å; R119-D127 IonicContact NH1-OD1 3.78Å; R119-D127 PolarHBondContact NH1-OD1 3.37Å; R119-D127 IonicContact NH1-OD2 2.79Å; R119-D127 PolarHBondContact NH1-OD2 3.28Å; R119-D127 IonicContact NH2-OD1 2.65Å; R119-D127 PolarHBondContact NH2-OD1 2.97Å; R119-L132 HydrophobicContact CG-CD1 4.36Å; R119-L132 HydrophobicContact CG-CD2 4.47Å; R119-S133 PolarHBondContact N-O 3.21Å; R119-V134 HydrophobicContact CB-CG2 4.39Å; R119-T135 PolarHBondContact O-N 2.67Å |
| 120 | H | 63.1 | Low | 73.7 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -85.4 | -6.1 | 169.9 | -56.5 | -37 | 0 | 0 | 0 | 113.5 | T135 R217 | H120-T135 PolarHBondContact ND1-OG1 3.22Å; H120-T135 VanDerWaalsContact ND1-OG1 3.16Å; H120-R217 PolarHBondContact CE1-NH1 3Å; H120-R217 PolarHBondContact ND1-NH1 3.07Å |
| 121 | T | 70.8 | Confident | 74.2 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -128.3 | 138.6 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 107 | R119 E213 | R119-T121 VanDerWaalsContact C-N 3.31Å; T121-E213 VanDerWaalsContact CG2-OE1 3.31Å; T121-E213 WeakPolarHBondContact CG2-OE1 3.46Å |
| 122 | I | 77.5 | Confident | 74.6 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | trans | -59.2 | 133.3 | -171.6 | -78.4 | 162.4 | 0 | 0 | 0 | 111.1 | E213 R225 L227 | I122-E213 HydrophobicContact CB-CG 4.39Å; I122-E213 WeakPolarHBondContact CB-OE1 3.44Å; I122-E213 HydrophobicContact CD1-CG 3.78Å; I122-E213 HydrophobicContact CG1-CG 3.82Å; I122-E213 PolarHBondContact N-OE1 2.87Å; I122-R225 HydrophobicContact CD1-CB 4.1Å; I122-R225 VanDerWaalsContact CD1-O 3.25Å; I122-R225 WeakPolarHBondContact CD1-O 3.37Å; I122-R225 PolarHBondContact O-NH2 2.69Å; I122-L227 HydrophobicContact CD1-CB 3.86Å; I122-L227 HydrophobicContact CG1-CB 4.02Å; I122-L227 HydrophobicContact CG2-CB 4.05Å; I122-L227 HydrophobicContact CG2-CD1 4.38Å; I122-L227 HydrophobicContact CG2-CD2 4.42Å | ||
| 123 | P | 76.7 | Confident | 75.3 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | trans | -58.6 | 164.3 | 179.7 | 21.7 | -33.1 | 0 | 0 | 0 | 113.5 | D127 L132 V134 L227 M251 L268 | P123-D127 HydrophobicContact CB-CB 3.9Å; P123-D127 WeakPolarHBondContact CB-OD2 3.5Å; P123-L132 HydrophobicContact CB-CD1 3.78Å; P123-L132 HydrophobicContact CG-CD1 3.96Å; P123-V134 HydrophobicContact CG-CG2 4.28Å; P123-L227 HydrophobicContact CG-CD2 4.28Å; P123-M251 HydrophobicContact CB-CE 4.19Å; P123-M251 HydrophobicContact CB-SD 4.36Å; P123-M251 HydrophobicContact CG-CE 3.57Å; P123-M251 HydrophobicContact CG-CG 4.32Å; P123-M251 HydrophobicContact CG-SD 3.53Å; P123-M251 VanDerWaalsContact CG-SD 3.53Å; P123-L268 WeakPolarHBondContact O-CD2 3.3Å | ||
| 124 | R | 79.9 | Confident | 76.3 | Confident | 162 Ų | 162 | 55.2 Ų | 55.2 | 61% | 0.611 | 29% | 0.285 | S | S | * | . | trans | -113.2 | 173.5 | 176.7 | -49.1 | -171.7 | -164 | -162.8 | 6.2 | 109.7 | R126 D127 | R124-R126 HydrophobicContact CB-CG 4.41Å; R124-R126 PolarHBondContact O-N 3.41Å; R124-D127 PolarHBondContact N-OD2 2.82Å; R124-D127 WeakPolarHBondContact O-CB 3.41Å; R124-D127 PolarHBondContact O-N 3.15Å | ||
| 125 | S | 80.1 | Confident | 77.4 | Confident | 84 Ų | 84 | 54 Ų | 54 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -57.6 | -22.6 | -178.9 | -40.7 | 0 | 0 | 0 | 0 | 115 | D127 V128 | S125-D127 PolarHBondContact O-N 2.94Å; S125-V128 WeakPolarHBondContact O-CG2 3.48Å |
| 126 | R | 81.8 | Confident | 78.6 | Confident | 169 Ų | 169 | 48.9 Ų | 48.9 | 64% | 0.638 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -63.2 | -23.5 | 173.1 | 76.4 | -169.9 | -178.6 | -180 | 5.3 | 113.8 | R124 | R124-R126 HydrophobicContact CB-CG 4.41Å; R124-R126 PolarHBondContact O-N 3.41Å |
| 127 | D | 81.2 | Confident | 79.8 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -95.5 | 5.8 | -170.7 | -49.8 | -69.1 | 0 | 0 | 0 | 112.1 | R119 P123 R124 S125 L132 M251 | R119-D127 IonicContact CZ-OD1 2.77Å; R119-D127 VanDerWaalsContact CZ-OD1 3.26Å; R119-D127 IonicContact CZ-OD2 3.67Å; R119-D127 IonicContact NH1-OD1 3.78Å; R119-D127 PolarHBondContact NH1-OD1 3.37Å; R119-D127 IonicContact NH1-OD2 2.79Å; R119-D127 PolarHBondContact NH1-OD2 3.28Å; R119-D127 IonicContact NH2-OD1 2.65Å; R119-D127 PolarHBondContact NH2-OD1 2.97Å; P123-D127 HydrophobicContact CB-CB 3.9Å; P123-D127 WeakPolarHBondContact CB-OD2 3.5Å; R124-D127 PolarHBondContact N-OD2 2.82Å; R124-D127 WeakPolarHBondContact O-CB 3.41Å; R124-D127 PolarHBondContact O-N 3.15Å; S125-D127 PolarHBondContact O-N 2.94Å; D127-L132 HydrophobicContact CB-CD1 4.08Å; D127-M251 WeakPolarHBondContact O-CB 3.49Å |
| 128 | V | 85.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 146.6 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | S125 H130 L253 L268 | S125-V128 WeakPolarHBondContact O-CG2 3.48Å; V128-H130 PolarHBondContact O-N 3.42Å; V128-H130 PolarHBondContact O-ND1 2.96Å; V128-L253 HydrophobicContact CG1-CG 4.2Å; V128-L253 HydrophobicContact CG2-CD1 4.2Å; V128-L253 HydrophobicContact CG2-CD2 3.96Å; V128-L253 HydrophobicContact CG2-CG 3.73Å; V128-L268 HydrophobicContact CG2-CD1 3.83Å |
| 129 | G | 84.8 | Confident | 82.1 | Confident | 29 Ų | 29 | 43 Ų | 43 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -24.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | P64 M251 | P64-G129 VanDerWaalsContact CG-O 3.29Å; P64-G129 WeakPolarHBondContact CG-O 3.3Å; G129-M251 PolarHBondContact N-O 2.78Å |
| 130 | H | 85.8 | Confident | 82.8 | Confident | 98 Ų | 98 | 43.7 Ų | 43.7 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -82 | 155.3 | -178.5 | -60.2 | 76.8 | 0 | 0 | 0 | 112 | V128 V250 M251 | V128-H130 PolarHBondContact O-N 3.42Å; V128-H130 PolarHBondContact O-ND1 2.96Å; H130-V250 WeakPolarHBondContact O-CA 3.41Å; H130-M251 PolarHBondContact O-N 2.88Å; H130-M251 VanDerWaalsContact O-N 3.12Å |
| 131 | F | 88.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.9 | 172.7 | -167.9 | -88.6 | 0 | 0 | 0 | 110.2 | F60 P64 L68 I108 L111 L117 Y248 G249 V250 N273 | F60-F131 HydrophobicContact CE1-CB 3.91Å; F60-F131 AromaticContact CE1-CD1 3.56Å; F60-F131 HydrophobicContact CE1-CD1 3.56Å; F60-F131 HydrophobicContact CE1-CD2 4.34Å; F60-F131 HydrophobicContact CE1-CE1 4.11Å; F60-F131 AromaticContact CE1-CG 3.69Å; F60-F131 HydrophobicContact CE1-CG 3.69Å; F60-F131 HydrophobicContact CE2-CD2 4.34Å; F60-F131 HydrophobicContact CE2-CG 4.47Å; F60-F131 HydrophobicContact CZ-CB 4.01Å; F60-F131 AromaticContact CZ-CD1 3.52Å; F60-F131 HydrophobicContact CZ-CD1 3.52Å; F60-F131 AromaticContact CZ-CD2 3.63Å; F60-F131 HydrophobicContact CZ-CD2 3.63Å; F60-F131 AromaticContact CZ-CE1 3.77Å; F60-F131 HydrophobicContact CZ-CE1 3.77Å; F60-F131 AromaticContact CZ-CE2 3.88Å; F60-F131 HydrophobicContact CZ-CE2 3.88Å; F60-F131 AromaticContact CZ-CG 3.44Å; F60-F131 HydrophobicContact CZ-CG 3.44Å; F60-F131 VanDerWaalsContact CZ-CG 3.44Å; F60-F131 AromaticContact CZ-CZ 3.95Å; F60-F131 HydrophobicContact CZ-CZ 3.95Å; P64-F131 HydrophobicContact CB-CB 3.82Å; P64-F131 HydrophobicContact CB-CD2 4.3Å; P64-F131 HydrophobicContact CB-CG 4.48Å; P64-F131 HydrophobicContact CG-CB 4.12Å; L68-F131 HydrophobicContact CD1-CD2 4.4Å; L68-F131 HydrophobicContact CD1-CE2 4.18Å; I108-F131 HydrophobicContact CB-CZ 4.21Å; I108-F131 HydrophobicContact CG2-CE1 4.41Å; I108-F131 HydrophobicContact CG2-CZ 4.43Å; L111-F131 HydrophobicContact CD1-CD1 3.74Å; L111-F131 HydrophobicContact CD1-CE1 3.86Å; L111-F131 HydrophobicContact CD2-CD1 4.05Å; L111-F131 HydrophobicContact CD2-CE1 4.04Å; L111-F131 HydrophobicContact CG-CD1 4.39Å; L111-F131 HydrophobicContact CG-CE1 4.21Å; L117-F131 WeakPolarHBondContact CD2-O 3.45Å; F131-Y248 HydrophobicContact CE1-CD1 4.36Å; F131-G249 CarbonylContact C-O 3.58Å; F131-G249 WeakPolarHBondContact CA-O 3.36Å; F131-V250 HydrophobicContact CB-CG2 4.44Å; F131-V250 HydrophobicContact CD2-CG2 3.74Å; F131-N273 HydrophobicContact CE2-CB 3.78Å; F131-N273 HydrophobicContact CZ-CB 4.21Å |
| 132 | L | 89.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.2 | -173.7 | -58.6 | -179.5 | 0 | 0 | 0 | 112.1 | E116 L117 R119 P123 D127 V134 Y248 G249 M251 | E116-L132 WeakPolarHBondContact O-CD2 3.43Å; L117-L132 WeakPolarHBondContact O-CA 3.4Å; R119-L132 HydrophobicContact CG-CD1 4.36Å; R119-L132 HydrophobicContact CG-CD2 4.47Å; P123-L132 HydrophobicContact CB-CD1 3.78Å; P123-L132 HydrophobicContact CG-CD1 3.96Å; D127-L132 HydrophobicContact CB-CD1 4.08Å; L132-V134 HydrophobicContact CB-CG2 4.29Å; L132-Y248 WeakPolarHBondContact O-CA 3.4Å; L132-G249 PolarHBondContact N-O 2.83Å; L132-G249 PolarHBondContact O-N 2.84Å; L132-M251 HydrophobicContact CD1-CG 3.43Å; L132-M251 VanDerWaalsContact CD1-CG 3.43Å; L132-M251 HydrophobicContact CD1-SD 4.17Å; L132-M251 HydrophobicContact CG-CG 4.14Å |
| 133 | S | 89.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 110.5 | 162.6 | 167.3 | 0 | 0 | 0 | 0 | 109.7 | L117 R119 T246 V247 | L117-S133 PolarHBondContact O-N 3.23Å; R119-S133 PolarHBondContact N-O 3.21Å; S133-T246 WeakPolarHBondContact OG-CG2 3.49Å; S133-V247 CarbonylContact C-O 3.58Å; S133-V247 WeakPolarHBondContact CA-O 3.31Å |
| 134 | V | 88 | Confident | 85 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.3 | 176.9 | -174 | 0 | 0 | 0 | 0 | 109.9 | R119 P123 L132 I211 L227 V247 L270 | R119-V134 HydrophobicContact CB-CG2 4.39Å; P123-V134 HydrophobicContact CG-CG2 4.28Å; L132-V134 HydrophobicContact CB-CG2 4.29Å; V134-I211 HydrophobicContact CB-CD1 4.44Å; V134-I211 HydrophobicContact CG1-CD1 3.8Å; V134-L227 HydrophobicContact CG1-CD2 4.42Å; V134-V247 PolarHBondContact N-O 3.26Å; V134-V247 PolarHBondContact O-N 3.39Å; V134-L270 HydrophobicContact CB-CD2 4.11Å; V134-L270 HydrophobicContact CG2-CD2 3.98Å |
| 135 | T | 86.5 | Confident | 85.3 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 14% | 0.135 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.4 | 178.2 | 55 | 0 | 0 | 0 | 0 | 111.1 | R119 H120 T246 | R119-T135 PolarHBondContact O-N 2.67Å; H120-T135 PolarHBondContact ND1-OG1 3.22Å; H120-T135 VanDerWaalsContact ND1-OG1 3.16Å; T135-T246 HydrophobicContact CG2-CG2 4Å |
| 136 | G | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 165.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q212 I245 | G136-Q212 CarbonylContact C-O 3.58Å; G136-Q212 WeakPolarHBondContact CA-O 3.46Å; G136-I245 PolarHBondContact N-O 3.48Å; G136-I245 PolarHBondContact O-N 3.34Å; G136-I245 VanDerWaalsContact O-O 3.1Å |
| 137 | T | 85.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 24.8 Ų | 24.8 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.5 | 179 | -39.7 | 0 | 0 | 0 | 0 | 110.5 | I139 I211 Q212 D243 D244 | T137-I139 PolarHBondContact O-N 2.71Å; T137-I211 CarbonylContact O-C 3.57Å; T137-I211 WeakPolarHBondContact O-CA 3.28Å; T137-Q212 PolarHBondContact N-O 3.24Å; T137-Q212 PolarHBondContact O-N 3.2Å; T137-D243 WeakPolarHBondContact CA-O 2.94Å; T137-D244 WeakPolarHBondContact CB-OD1 3.45Å; T137-D244 PolarHBondContact OG1-OD1 3.28Å |
| 138 | V | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 112.6 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | I209 I211 C239 S241 G242 D243 I245 | V138-I209 HydrophobicContact CG1-CB 4.35Å; V138-I209 HydrophobicContact CG2-CD1 4.35Å; V138-I211 HydrophobicContact CG2-CG2 4.36Å; V138-C239 HydrophobicContact CG2-CB 4.4Å; V138-S241 CarbonylContact O-C 3.49Å; V138-S241 WeakPolarHBondContact O-CA 3.42Å; V138-G242 PolarHBondContact O-N 3.08Å; V138-D243 PolarHBondContact N-O 3.16Å; V138-I245 HydrophobicContact CG2-CD1 3.53Å; V138-I245 HydrophobicContact CG2-CG1 3.91Å; V138-I245 HydrophobicContact CG2-CG2 4.12Å |
| 139 | I | 84.8 | Confident | 85.2 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -51.7 | 174.8 | -43.4 | 172.4 | 0 | 0 | 0 | 110.7 | T137 K210 Q212 E406 A407 | T137-I139 PolarHBondContact O-N 2.71Å; I139-K210 PolarHBondContact N-O 3.4Å; I139-Q212 HydrophobicContact CD1-CB 3.68Å; I139-Q212 HydrophobicContact CD1-CG 3.73Å; I139-Q212 HydrophobicContact CG1-CB 3.68Å; I139-Q212 HydrophobicContact CG1-CG 4.25Å; I139-E406 HydrophobicContact CG2-CG 3.86Å; I139-A407 PolarHBondContact O-N 2.84Å |
| 140 | R | 84.5 | Confident | 85 | Confident | 46 Ų | 46 | 26 Ų | 26 | 17% | 0.174 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.8 | -169.6 | -56.9 | -177.5 | -178.1 | 163.1 | 2.4 | 110.7 | I209 K210 D399 L405 E406 | R140-I209 CarbonylContact O-C 3.58Å; R140-I209 WeakPolarHBondContact O-CA 3.46Å; R140-K210 HydrophobicContact CB-CB 3.98Å; R140-K210 HydrophobicContact CG-CB 4.43Å; R140-K210 PolarHBondContact N-O 3.17Å; R140-K210 PolarHBondContact O-N 2.88Å; R140-D399 IonicContact NH1-OD2 2.67Å; R140-D399 PolarHBondContact NH1-OD2 2.81Å; R140-L405 WeakPolarHBondContact CA-O 3.29Å; R140-E406 HydrophobicContact CG-CB 4.15Å; R140-E406 IonicContact CZ-OE2 2.92Å; R140-E406 IonicContact NE-OE2 3.56Å; R140-E406 PolarHBondContact NE-OE2 3.14Å; R140-E406 IonicContact NH2-OE2 2.92Å; R140-E406 PolarHBondContact NH2-OE2 3.43Å |
| 141 | T | 84.1 | Confident | 84.7 | Confident | 21 Ų | 21 | 22.6 Ų | 22.6 | 13% | 0.129 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.3 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 107.6 | Q207 I209 S241 | T141-Q207 VanDerWaalsContact CG2-NE2 3.31Å; T141-I209 HydrophobicContact CG2-CG2 4.25Å; T141-S241 WeakPolarHBondContact CB-OG 3.3Å; T141-S241 PolarHBondContact N-OG 3.28Å; T141-S241 PolarHBondContact OG1-N 3.16Å; T141-S241 PolarHBondContact OG1-OG 2.9Å |
| 142 | S | 83.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 164.6 | 171.1 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | Q207 E208 | S142-Q207 PolarHBondContact O-NE2 3.22Å; S142-E208 VanDerWaalsContact CB-O 3.22Å; S142-E208 WeakPolarHBondContact CB-O 3.5Å; S142-E208 PolarHBondContact N-O 3.5Å; S142-E208 WeakPolarHBondContact OG-CA 3.49Å; S142-E208 PolarHBondContact OG-N 2.8Å; S142-E208 PolarHBondContact OG-O 3Å |
| 143 | V | 82.3 | Confident | 84 | Confident | 91 Ų | 91 | 24.9 Ų | 24.9 | 55% | 0.552 | 13% | 0.13 | S | C | * | . | P | Polyproline II helix | trans | -74.4 | 135 | 171.4 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | K145 M450 | V143-K145 PolarHBondContact O-N 3.31Å; V143-M450 HydrophobicContact CG2-CE 3.58Å |
| 144 | A | 84.2 | Confident | 83.6 | Confident | 23 Ų | 23 | 27.1 Ų | 27.1 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 121.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V236 | A144-V236 HydrophobicContact CB-CG1 3.52Š|
| 145 | K | 86.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 27 Ų | 27 | 16% | 0.161 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152.7 | 176.9 | -66.6 | 165.1 | -177.3 | 173.9 | 0 | 108.8 | V143 Y206 E208 D402 | V143-K145 PolarHBondContact O-N 3.31Å; K145-Y206 HydrophobicContact CB-CD1 4.38Å; K145-Y206 HydrophobicContact CD-CD1 4.35Å; K145-Y206 PolarHBondContact N-O 3.03Å; K145-Y206 PolarHBondContact O-N 3.29Å; K145-E208 IonicContact NZ-OE2 2.85Å; K145-D402 WeakPolarHBondContact CE-OD2 3.25Å; K145-D402 IonicContact NZ-OD2 3.26Å; K145-D402 PolarHBondContact NZ-OD2 2.88Å |
| 146 | V | 85.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 29.7 Ų | 29.7 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118 | 168.4 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | C203 D205 R902 F905 | V146-C203 HydrophobicContact CG1-CB 3.66Å; V146-D205 WeakPolarHBondContact CG2-OD1 3.48Å; V146-R902 HydrophobicContact CG2-CB 3.81Å; V146-R902 HydrophobicContact CG2-CG 4.34Å; V146-F905 PolarHBondContact O-N 3.35Å |
| 147 | L | 83.1 | Confident | 82.7 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 146.1 | 177.7 | -62.7 | -176.4 | 0 | 0 | 0 | 110.6 | Y172 C203 R204 Y206 L907 | L147-Y172 HydrophobicContact CD1-CD1 4.43Å; L147-Y172 HydrophobicContact CD1-CD2 3.84Å; L147-Y172 HydrophobicContact CD1-CE2 4.36Å; L147-Y172 HydrophobicContact CD1-CG 3.87Å; L147-C203 CarbonylContact O-C 3.55Å; L147-C203 WeakPolarHBondContact O-CA 3.49Å; L147-C203 WeakPolarHBondContact O-CB 3.44Å; L147-C203 PolarHBondContact O-SG 3.35Å; L147-C203 VanDerWaalsContact O-SG 3.41Å; L147-R204 PolarHBondContact N-O 2.68Å; L147-R204 PolarHBondContact O-N 3.49Å; L147-Y206 HydrophobicContact CD1-CD1 3.78Å; L147-Y206 HydrophobicContact CD1-CD2 3.65Å; L147-Y206 HydrophobicContact CD1-CE1 4.25Å; L147-Y206 HydrophobicContact CD1-CE2 4.13Å; L147-Y206 HydrophobicContact CD1-CG 3.44Å; L147-Y206 VanDerWaalsContact CD1-CG 3.44Å; L147-Y206 HydrophobicContact CG-CD1 4.31Å; L147-Y206 HydrophobicContact CG-CG 4.02Å; L147-L907 HydrophobicContact CD2-CD1 4.37Å |
| 148 | E | 81.6 | Confident | 82.4 | Confident | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.4 | 166.7 | -64.4 | 176.1 | -141.2 | 0 | 0 | 108.4 | R151 F174 P200 C904 N906 | E148-R151 VanDerWaalsContact CD-NH2 3.33Å; E148-R151 IonicContact OE1-NH2 3.05Å; E148-R151 IonicContact OE2-CZ 4Å; E148-R151 IonicContact OE2-NE 2.78Å; E148-R151 PolarHBondContact OE2-NE 2.97Å; E148-R151 IonicContact OE2-NH2 3.92Å; E148-R151 PolarHBondContact OE2-NH2 3.28Å; E148-F174 HydrophobicContact CB-CE2 4.03Å; E148-F174 HydrophobicContact CB-CZ 3.88Å; E148-F174 VanDerWaalsContact O-CZ 3.28Å; E148-F174 WeakPolarHBondContact O-CZ 3.32Å; E148-P200 HydrophobicContact CG-CB 3.75Å; E148-P200 HydrophobicContact CG-CG 4.15Å; E148-C904 HydrophobicContact CG-CB 4.42Å; E148-N906 PolarHBondContact OE1-ND2 2.96Å |
| 149 | Y | 76.4 | Confident | 82 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -40.1 | -178.7 | 175.4 | -111.4 | 0 | 0 | 0 | 112.7 | Q165 A166 Y172 A202 R204 | Y149-Q165 HydrophobicContact CE1-CG 4.1Å; Y149-Q165 WeakPolarHBondContact O-CA 3.46Å; Y149-A166 PolarHBondContact O-N 2.97Å; Y149-Y172 HydrophobicContact CD2-CE1 4.16Å; Y149-A202 PolarHBondContact N-O 3.17Å; Y149-R204 VanDerWaalsContact CE1-NH2 3.27Å |
| 150 | E | 80 | Confident | 81.8 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.5 | 172.8 | -65.9 | -169.1 | 155.3 | 0 | 0 | 111.2 | K163 Q165 A202 | E150-K163 WeakPolarHBondContact OE2-CD 3.38Å; E150-K163 IonicContact OE2-NZ 3.92Å; E150-K163 PolarHBondContact OE2-NZ 3.21Å; E150-Q165 HydrophobicContact CG-CG 3.79Å; E150-Q165 PolarHBondContact OE1-NE2 3.34Å; E150-A202 HydrophobicContact CB-CB 4.13Å; E150-A202 HydrophobicContact CG-CB 4.37Å |
| 151 | R | 79.5 | Confident | 81.6 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131.8 | 176.8 | -178.4 | 171.4 | -76.7 | 179 | -5.5 | 111.1 | E148 Y153 V164 F174 N906 | E148-R151 VanDerWaalsContact CD-NH2 3.33Å; E148-R151 IonicContact OE1-NH2 3.05Å; E148-R151 IonicContact OE2-CZ 4Å; E148-R151 IonicContact OE2-NE 2.78Å; E148-R151 PolarHBondContact OE2-NE 2.97Å; E148-R151 IonicContact OE2-NH2 3.92Å; E148-R151 PolarHBondContact OE2-NH2 3.28Å; R151-Y153 HydrophobicContact CB-CD2 4.39Å; R151-Y153 HydrophobicContact CB-CE2 3.89Å; R151-Y153 WeakPolarHBondContact CD-OH 3.36Å; R151-Y153 HydrophobicContact CG-CD2 4.01Å; R151-Y153 HydrophobicContact CG-CE2 3.5Å; R151-V164 PolarHBondContact N-O 3.21Å; R151-V164 PolarHBondContact O-N 3.38Å; R151-F174 HydrophobicContact CB-CD1 3.79Å; R151-F174 HydrophobicContact CB-CE1 3.38Å; R151-F174 HydrophobicContact CB-CZ 3.78Å; R151-F174 VanDerWaalsContact NH1-CD2 3.32Å; R151-N906 PolarHBondContact NH2-OD1 3.42Å |
| 152 | D | 81.7 | Confident | 81.3 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117 | -178.2 | -71 | -2.2 | 0 | 0 | 0 | 110.1 | V161 K163 L194 | D152-V161 HydrophobicContact CB-CG1 4.27Å; D152-K163 WeakPolarHBondContact OD1-CE 3.47Å; D152-K163 WeakPolarHBondContact OD1-CG 3.41Å; D152-L194 HydrophobicContact CB-CB 4.35Å; D152-L194 HydrophobicContact CB-CD1 4.29Å; D152-L194 PolarHBondContact O-N 3.29Å |
| 153 | Y | 80.8 | Confident | 81.1 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.7 | 177 | -75.6 | -94.2 | 0 | 0 | 0 | 110.3 | R151 V161 F162 V164 Q176 F191 C193 | R151-Y153 HydrophobicContact CB-CD2 4.39Å; R151-Y153 HydrophobicContact CB-CE2 3.89Å; R151-Y153 WeakPolarHBondContact CD-OH 3.36Å; R151-Y153 HydrophobicContact CG-CD2 4.01Å; R151-Y153 HydrophobicContact CG-CE2 3.5Å; Y153-V161 WeakPolarHBondContact O-CA 3.43Å; Y153-F162 HydrophobicContact CG-CE2 4.32Å; Y153-F162 HydrophobicContact CG-CZ 4.49Å; Y153-F162 PolarHBondContact N-O 2.98Å; Y153-F162 WeakPolarHBondContact O-CD1 3.27Å; Y153-F162 PolarHBondContact O-N 3.43Å; Y153-V164 HydrophobicContact CD2-CB 3.8Å; Y153-V164 HydrophobicContact CD2-CG2 3.5Å; Y153-V164 VanDerWaalsContact CD2-CG2 3.5Å; Y153-V164 HydrophobicContact CE2-CB 3.82Å; Y153-V164 HydrophobicContact CE2-CG1 4.43Å; Y153-V164 HydrophobicContact CE2-CG2 3.89Å; Y153-V164 HydrophobicContact CG-CG2 4.3Å; Y153-Q176 HydrophobicContact CE1-CG 4.18Å; Y153-F191 HydrophobicContact CD1-CB 4.12Å; Y153-C193 HydrophobicContact CD1-CB 4.36Å; Y153-C193 HydrophobicContact CE1-CB 4.14Å |
| 154 | M | 81.8 | Confident | 80.9 | Confident | 52 Ų | 52 | 51.1 Ų | 51.1 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.2 | 173.5 | -179.2 | 176.8 | 58.1 | 0 | 0 | 110.3 | T156 R159 V161 F191 S192 L194 | M154-T156 PolarHBondContact O-N 3.32Å; M154-R159 HydrophobicContact SD-CB 4.32Å; M154-R159 HydrophobicContact SD-CG 4.44Å; M154-V161 HydrophobicContact CB-CG2 4.25Å; M154-V161 HydrophobicContact CG-CG2 4.25Å; M154-F191 WeakPolarHBondContact O-CA 3.35Å; M154-S192 PolarHBondContact N-O 3.44Å; M154-S192 PolarHBondContact O-N 2.89Å; M154-S192 PolarHBondContact O-OG 2.89Å; M154-L194 HydrophobicContact CB-CD1 4.19Å; M154-L194 HydrophobicContact CB-CD2 3.95Å; M154-L194 HydrophobicContact CB-CG 4Å; M154-L194 HydrophobicContact CE-CD2 3.92Å; M154-L194 HydrophobicContact SD-CD2 4.3Å |
| 155 | C | 82.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.4 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | K157 C158 R159 H160 C180 S188 F191 | C155-K157 VanDerWaalsContact C-N 3.25Å; C155-K157 PolarHBondContact O-N 3.42Å; C155-C158 VanDerWaalsContact CB-SG 3.54Å; C155-C158 VanDerWaalsContact SG-SG 3.6Å; C155-R159 VanDerWaalsContact O-CA 3.24Å; C155-R159 WeakPolarHBondContact O-CA 3.47Å; C155-R159 PolarHBondContact O-N 3.39Å; C155-H160 PolarHBondContact N-O 2.88Å; C155-C180 VanDerWaalsContact CB-SG 3.55Å; C155-C180 VanDerWaalsContact SG-SG 3.7Å; C155-S188 WeakPolarHBondContact SG-CB 3.42Å; C155-F191 HydrophobicContact CB-CD1 4.19Å; C155-F191 HydrophobicContact CB-CE1 4.33Å |
| 156 | T | 81.9 | Confident | 80 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.3 | -175.6 | 62 | 0 | 0 | 0 | 0 | 114.3 | M154 K190 | M154-T156 PolarHBondContact O-N 3.32Å; T156-K190 HydrophobicContact CG2-CB 4.43Å; T156-K190 PolarHBondContact N-O 3.32Å; T156-K190 WeakPolarHBondContact OG1-CB 3.41Å; T156-K190 PolarHBondContact OG1-O 2.7Å |
| 157 | K | 78.7 | Confident | 79.3 | Confident | 142 Ų | 142 | 55.8 Ų | 55.8 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -55 | 177.6 | -67.1 | -171.1 | -165.9 | 177 | 0 | 113 | C155 N187 S188 | C155-K157 VanDerWaalsContact C-N 3.25Å; C155-K157 PolarHBondContact O-N 3.42Å; K157-N187 PolarHBondContact NZ-O 3.13Å; K157-S188 WeakPolarHBondContact CG-OG 3.48Å |
| 158 | C | 78.8 | Confident | 78.9 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -2.4 | -171.3 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | C155 H160 N182 C186 | C155-C158 VanDerWaalsContact CB-SG 3.54Å; C155-C158 VanDerWaalsContact SG-SG 3.6Å; C158-H160 PolarHBondContact O-N 2.97Å; C158-N182 PolarHBondContact SG-ND2 2.91Å; C158-C186 HydrophobicContact CB-CB 4.36Å; C158-C186 VanDerWaalsContact SG-SG 3.64Å |
| 159 | R | 79.9 | Confident | 78.6 | Confident | 201 Ų | 201 | 57.6 Ų | 57.6 | 76% | 0.758 | 28% | 0.275 | S | S | * | . | trans | 55.4 | 12.5 | -176.3 | -59.2 | -177.3 | -178.4 | 167.9 | -0.2 | 115.5 | M154 C155 V161 | M154-R159 HydrophobicContact SD-CB 4.32Å; M154-R159 HydrophobicContact SD-CG 4.44Å; C155-R159 VanDerWaalsContact O-CA 3.24Å; C155-R159 WeakPolarHBondContact O-CA 3.47Å; C155-R159 PolarHBondContact O-N 3.39Å; R159-V161 PolarHBondContact O-N 3.01Å | ||
| 160 | H | 79.9 | Confident | 78.4 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.296 | 28% | 0.276 | S | S | . | . | trans | -62.2 | 123.5 | 169.7 | -175.9 | 66.6 | 0 | 0 | 0 | 108.9 | C155 C158 N182 | C155-H160 PolarHBondContact N-O 2.88Å; C158-H160 PolarHBondContact O-N 2.97Å; H160-N182 HydrophobicContact CB-CB 3.98Å | ||
| 161 | V | 80.5 | Confident | 77.9 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | D152 Y153 M154 R159 L194 | D152-V161 HydrophobicContact CB-CG1 4.27Å; Y153-V161 WeakPolarHBondContact O-CA 3.43Å; M154-V161 HydrophobicContact CB-CG2 4.25Å; M154-V161 HydrophobicContact CG-CG2 4.25Å; R159-V161 PolarHBondContact O-N 3.01Å; V161-L194 HydrophobicContact CG1-CD1 3.79Å; V161-L194 HydrophobicContact CG2-CD1 3.92Å |
| 162 | F | 79.1 | Confident | 77.5 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.4 | 176.6 | 60.2 | -89.3 | 0 | 0 | 0 | 109.4 | Y153 V164 P177 P181 F191 | Y153-F162 HydrophobicContact CG-CE2 4.32Å; Y153-F162 HydrophobicContact CG-CZ 4.49Å; Y153-F162 PolarHBondContact N-O 2.98Å; Y153-F162 WeakPolarHBondContact O-CD1 3.27Å; Y153-F162 PolarHBondContact O-N 3.43Å; F162-V164 HydrophobicContact CD2-CG2 3.93Å; F162-V164 HydrophobicContact CE2-CG2 3.67Å; F162-P177 HydrophobicContact CD2-CG 4.41Å; F162-P177 HydrophobicContact CE2-CG 3.47Å; F162-P177 VanDerWaalsContact CE2-CG 3.47Å; F162-P177 HydrophobicContact CZ-CG 3.87Å; F162-P181 HydrophobicContact CB-CG 3.71Å; F162-P181 HydrophobicContact CD1-CG 3.88Å; F162-P181 HydrophobicContact CD2-CG 4Å; F162-P181 HydrophobicContact CG-CG 3.58Å; F162-F191 AromaticContact CE1-CD1 3.54Å; F162-F191 HydrophobicContact CE1-CD1 3.54Å; F162-F191 AromaticContact CE1-CE1 3.78Å; F162-F191 HydrophobicContact CE1-CE1 3.78Å; F162-F191 HydrophobicContact CE1-CG 4.42Å; F162-F191 HydrophobicContact CZ-CB 4.47Å; F162-F191 AromaticContact CZ-CD1 3.44Å; F162-F191 HydrophobicContact CZ-CD1 3.44Å; F162-F191 VanDerWaalsContact CZ-CD1 3.44Å; F162-F191 AromaticContact CZ-CE1 3.74Å; F162-F191 HydrophobicContact CZ-CE1 3.74Å; F162-F191 AromaticContact CZ-CG 3.93Å; F162-F191 HydrophobicContact CZ-CG 3.93Å; F162-F191 HydrophobicContact CZ-CZ 4.46Å |
| 163 | K | 79.4 | Confident | 76.9 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 144.7 | 176.4 | -63.3 | -159 | 150.8 | -164.5 | 0 | 110.6 | E150 D152 | E150-K163 WeakPolarHBondContact OE2-CD 3.38Å; E150-K163 IonicContact OE2-NZ 3.92Å; E150-K163 PolarHBondContact OE2-NZ 3.21Å; D152-K163 WeakPolarHBondContact OD1-CE 3.47Å; D152-K163 WeakPolarHBondContact OD1-CG 3.41Å |
| 164 | V | 77 | Confident | 76.6 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.8 | 165.8 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | R151 Y153 F162 F174 V175 P177 | R151-V164 PolarHBondContact N-O 3.21Å; R151-V164 PolarHBondContact O-N 3.38Å; Y153-V164 HydrophobicContact CD2-CB 3.8Å; Y153-V164 HydrophobicContact CD2-CG2 3.5Å; Y153-V164 VanDerWaalsContact CD2-CG2 3.5Å; Y153-V164 HydrophobicContact CE2-CB 3.82Å; Y153-V164 HydrophobicContact CE2-CG1 4.43Å; Y153-V164 HydrophobicContact CE2-CG2 3.89Å; Y153-V164 HydrophobicContact CG-CG2 4.3Å; F162-V164 HydrophobicContact CD2-CG2 3.93Å; F162-V164 HydrophobicContact CE2-CG2 3.67Å; V164-F174 HydrophobicContact CG1-CD1 4.3Å; V164-V175 WeakPolarHBondContact CG1-O 3.45Å; V164-P177 HydrophobicContact CG2-CG 4.45Å |
| 165 | Q | 76.6 | Confident | 75.9 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 149.1 | 170 | -79.1 | 168.9 | -2.6 | 0 | 0 | 109.4 | Y149 E150 | Y149-Q165 HydrophobicContact CE1-CG 4.1Å; Y149-Q165 WeakPolarHBondContact O-CA 3.46Å; E150-Q165 HydrophobicContact CG-CG 3.79Å; E150-Q165 PolarHBondContact OE1-NE2 3.34Å |
| 166 | A | 76.1 | Confident | 75.4 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | trans | -79 | 134.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y149 F168 Y172 F174 | Y149-A166 PolarHBondContact O-N 2.97Å; A166-F168 PolarHBondContact O-N 3.38Å; A166-Y172 HydrophobicContact CB-CD1 3.9Å; A166-F174 HydrophobicContact CB-CD1 4.09Å; A166-F174 HydrophobicContact CB-CE1 3.83Å; A166-F174 HydrophobicContact CB-CE2 4.35Å; A166-F174 HydrophobicContact CB-CG 4.46Å; A166-F174 HydrophobicContact CB-CZ 3.99Å | ||
| 167 | D | 71 | Confident | 75 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 115.7 | -177.5 | -76.1 | -36 | 0 | 0 | 0 | 111.4 | D169 Q170 Y172 T173 V175 | D167-D169 VanDerWaalsContact C-N 3.28Å; D167-D169 PolarHBondContact O-N 3.3Å; D167-Q170 HydrophobicContact CB-CB 4.2Å; D167-Q170 HydrophobicContact CB-CG 4.46Å; D167-Q170 CarbonylContact O-C 3.55Å; D167-Q170 PolarHBondContact O-N 2.85Å; D167-Y172 VanDerWaalsContact O-CA 3.28Å; D167-Y172 WeakPolarHBondContact O-CA 3.44Å; D167-Y172 PolarHBondContact O-N 2.75Å; D167-T173 PolarHBondContact N-O 2.97Å; D167-V175 WeakPolarHBondContact OD2-CG2 3.45Å |
| 168 | F | 74.6 | Confident | 74.7 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.088 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -55.4 | -42.9 | 178.9 | -178.2 | -84.7 | 0 | 0 | 0 | 112.6 | A166 Q170 F171 Y172 V230 Y252 R254 R271 | A166-F168 PolarHBondContact O-N 3.38Å; F168-Q170 PolarHBondContact O-N 3.03Å; F168-F171 PolarHBondContact O-N 2.73Å; F168-Y172 AromaticContact CD2-CE2 3.61Å; F168-Y172 HydrophobicContact CD2-CE2 3.61Å; F168-Y172 AromaticContact CD2-CZ 3.69Å; F168-Y172 WeakPolarHBondContact CD2-OH 3.37Å; F168-Y172 HydrophobicContact CE2-CE2 4.04Å; F168-Y172 HydrophobicContact CG-CE2 4.44Å; F168-V230 HydrophobicContact CE2-CB 4.4Å; F168-V230 HydrophobicContact CE2-CG1 3.88Å; F168-V230 HydrophobicContact CZ-CB 4.22Å; F168-V230 HydrophobicContact CZ-CG1 4.19Å; F168-V230 HydrophobicContact CZ-CG2 4.27Å; F168-Y252 AromaticContact CD1-CD1 3.53Å; F168-Y252 HydrophobicContact CD1-CD1 3.53Å; F168-Y252 AromaticContact CD1-CE1 3.74Å; F168-Y252 HydrophobicContact CD1-CE1 3.74Å; F168-Y252 AromaticContact CD1-CG 3.96Å; F168-Y252 HydrophobicContact CD1-CG 3.96Å; F168-Y252 AromaticContact CE1-CD1 3.78Å; F168-Y252 HydrophobicContact CE1-CD1 3.78Å; F168-Y252 HydrophobicContact CE1-CD2 4.09Å; F168-Y252 HydrophobicContact CE1-CE1 4.21Å; F168-Y252 AromaticContact CE1-CG 3.68Å; F168-Y252 HydrophobicContact CE1-CG 3.68Å; F168-Y252 HydrophobicContact CG-CD1 4.5Å; F168-Y252 HydrophobicContact CG-CE1 4.3Å; F168-R254 HydrophobicContact CE1-CG 4.39Å; F168-R254 PolarHBondContact O-NE 3.21Å; F168-R271 HydrophobicContact CE1-CB 4.46Å; F168-R271 HydrophobicContact CE2-CB 4.23Å; F168-R271 VanDerWaalsContact CE2-CD 3.46Å; F168-R271 HydrophobicContact CE2-CG 3.7Å; F168-R271 HydrophobicContact CZ-CB 3.79Å; F168-R271 HydrophobicContact CZ-CG 3.81Å |
| 169 | D | 75.4 | Confident | 74.5 | Confident | 50 Ų | 50 | 62 Ų | 62 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -68.3 | -25.7 | -174.1 | -57.2 | 5.4 | 0 | 0 | 0 | 111.5 | D167 Y252 R254 W255 | D167-D169 VanDerWaalsContact C-N 3.28Å; D167-D169 PolarHBondContact O-N 3.3Å; D169-Y252 VanDerWaalsContact OD1-CD1 3.24Å; D169-Y252 WeakPolarHBondContact OD1-CD1 3.32Å; D169-R254 VanDerWaalsContact O-CA 3.24Å; D169-R254 WeakPolarHBondContact O-CA 3.49Å; D169-W255 HydrophobicContact CB-CE3 4.43Å; D169-W255 HydrophobicContact CB-CH2 3.55Å; D169-W255 HydrophobicContact CB-CZ2 4.01Å; D169-W255 HydrophobicContact CB-CZ3 3.79Å; D169-W255 PolarHBondContact O-N 3.42Å |
| 170 | Q | 70.8 | Confident | 74.3 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -102.8 | 37 | 176.7 | -61.8 | -176.4 | 58 | 0 | 0 | 112 | D167 F168 Y172 T173 | D167-Q170 HydrophobicContact CB-CB 4.2Å; D167-Q170 HydrophobicContact CB-CG 4.46Å; D167-Q170 CarbonylContact O-C 3.55Å; D167-Q170 PolarHBondContact O-N 2.85Å; F168-Q170 PolarHBondContact O-N 3.03Å; Q170-Y172 VanDerWaalsContact C-N 3.31Å; Q170-Y172 PolarHBondContact O-N 2.8Å; Q170-T173 VanDerWaalsContact O-CB 3.23Å; Q170-T173 WeakPolarHBondContact O-CB 3.48Å; Q170-T173 PolarHBondContact O-N 3.45Å; Q170-T173 PolarHBondContact O-OG1 3.41Å |
| 171 | F | 69.8 | Low | 74 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 23% | 0.228 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 40.3 | 178.7 | -66.2 | -95.1 | 0 | 0 | 0 | 114 | F168 T173 R254 K256 | F168-F171 PolarHBondContact O-N 2.73Å; F171-T173 VanDerWaalsContact C-N 3.27Å; F171-T173 PolarHBondContact O-N 3.49Å; F171-R254 HydrophobicContact CD2-CB 4.4Å; F171-R254 HydrophobicContact CE2-CB 3.83Å; F171-R254 HydrophobicContact CZ-CB 3.94Å; F171-K256 HydrophobicContact CE2-CG 4.13Å |
| 172 | Y | 70.8 | Confident | 73.7 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 32 | -175.8 | -71.5 | -93.3 | 0 | 0 | 0 | 113.9 | L147 Y149 A166 D167 F168 Q170 Y206 E232 | L147-Y172 HydrophobicContact CD1-CD1 4.43Å; L147-Y172 HydrophobicContact CD1-CD2 3.84Å; L147-Y172 HydrophobicContact CD1-CE2 4.36Å; L147-Y172 HydrophobicContact CD1-CG 3.87Å; Y149-Y172 HydrophobicContact CD2-CE1 4.16Å; A166-Y172 HydrophobicContact CB-CD1 3.9Å; D167-Y172 VanDerWaalsContact O-CA 3.28Å; D167-Y172 WeakPolarHBondContact O-CA 3.44Å; D167-Y172 PolarHBondContact O-N 2.75Å; F168-Y172 AromaticContact CD2-CE2 3.61Å; F168-Y172 HydrophobicContact CD2-CE2 3.61Å; F168-Y172 AromaticContact CD2-CZ 3.69Å; F168-Y172 WeakPolarHBondContact CD2-OH 3.37Å; F168-Y172 HydrophobicContact CE2-CE2 4.04Å; F168-Y172 HydrophobicContact CG-CE2 4.44Å; Q170-Y172 VanDerWaalsContact C-N 3.31Å; Q170-Y172 PolarHBondContact O-N 2.8Å; Y172-Y206 HydrophobicContact CD2-CE2 4.08Å; Y172-Y206 HydrophobicContact CE2-CD2 4.01Å; Y172-Y206 AromaticContact CE2-CE2 3.57Å; Y172-Y206 HydrophobicContact CE2-CE2 3.57Å; Y172-E232 PolarHBondContact OH-OE1 2.79Å; Y172-E232 PolarHBondContact OH-OE2 2.81Å |
| 173 | T | 69.4 | Low | 73.2 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 134.7 | 170.3 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | D167 Q170 F171 V175 | D167-T173 PolarHBondContact N-O 2.97Å; Q170-T173 VanDerWaalsContact O-CB 3.23Å; Q170-T173 WeakPolarHBondContact O-CB 3.48Å; Q170-T173 PolarHBondContact O-N 3.45Å; Q170-T173 PolarHBondContact O-OG1 3.41Å; F171-T173 VanDerWaalsContact C-N 3.27Å; F171-T173 PolarHBondContact O-N 3.49Å; T173-V175 PolarHBondContact O-N 3.15Å |
| 174 | F | 74.2 | Confident | 72.5 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | trans | -80.4 | 95.8 | 171.1 | -71.4 | -80 | 0 | 0 | 0 | 111.1 | E148 R151 V164 A166 Q176 | E148-F174 HydrophobicContact CB-CE2 4.03Å; E148-F174 HydrophobicContact CB-CZ 3.88Å; E148-F174 VanDerWaalsContact O-CZ 3.28Å; E148-F174 WeakPolarHBondContact O-CZ 3.32Å; R151-F174 HydrophobicContact CB-CD1 3.79Å; R151-F174 HydrophobicContact CB-CE1 3.38Å; R151-F174 HydrophobicContact CB-CZ 3.78Å; R151-F174 VanDerWaalsContact NH1-CD2 3.32Å; V164-F174 HydrophobicContact CG1-CD1 4.3Å; A166-F174 HydrophobicContact CB-CD1 4.09Å; A166-F174 HydrophobicContact CB-CE1 3.83Å; A166-F174 HydrophobicContact CB-CE2 4.35Å; A166-F174 HydrophobicContact CB-CG 4.46Å; A166-F174 HydrophobicContact CB-CZ 3.99Å; F174-Q176 PolarHBondContact O-N 3.48Å | ||
| 175 | V | 68.4 | Low | 72 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.376 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 121.1 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | V164 D167 T173 | V164-V175 WeakPolarHBondContact CG1-O 3.45Å; D167-V175 WeakPolarHBondContact OD2-CG2 3.45Å; T173-V175 PolarHBondContact O-N 3.15Å |
| 176 | Q | 70.3 | Confident | 71.7 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 132.8 | 176.8 | -63.4 | -178.2 | 37.7 | 0 | 0 | 110 | Y153 F174 | Y153-Q176 HydrophobicContact CE1-CG 4.18Å; F174-Q176 PolarHBondContact O-N 3.48Å |
| 177 | P | 73.4 | Confident | 71.5 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 142 | -177 | 26.7 | -34.2 | 0 | 0 | 0 | 111.8 | F162 V164 G179 F191 | F162-P177 HydrophobicContact CD2-CG 4.41Å; F162-P177 HydrophobicContact CE2-CG 3.47Å; F162-P177 VanDerWaalsContact CE2-CG 3.47Å; F162-P177 HydrophobicContact CZ-CG 3.87Å; V164-P177 HydrophobicContact CG2-CG 4.45Å; P177-G179 PolarHBondContact O-N 3.14Å; P177-G179 VanDerWaalsContact O-N 3.1Å; P177-F191 VanDerWaalsContact O-CE2 3.27Å; P177-F191 WeakPolarHBondContact O-CE2 3.39Å |
| 178 | V | 72.8 | Confident | 71.6 | Confident | 134 Ų | 134 | 57.4 Ų | 57.4 | 81% | 0.812 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -69.7 | -7.6 | -175.1 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | F189 | V178-F189 WeakPolarHBondContact O-CD1 3.2Å; V178-F189 VanDerWaalsContact O-CE1 3.25Å; V178-F189 WeakPolarHBondContact O-CE1 3.33Å |
| 179 | G | 75.1 | Confident | 71.6 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -156.5 | 164.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P177 | P177-G179 PolarHBondContact O-N 3.14Å; P177-G179 VanDerWaalsContact O-N 3.1Å |
| 180 | C | 75.6 | Confident | 71.5 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | trans | -79.1 | 124.5 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | C155 N182 C186 S188 F191 | C155-C180 VanDerWaalsContact CB-SG 3.55Å; C155-C180 VanDerWaalsContact SG-SG 3.7Å; C180-N182 PolarHBondContact O-N 2.88Å; C180-C186 HydrophobicContact CB-CB 4.31Å; C180-C186 WeakPolarHBondContact CB-O 3.48Å; C180-S188 PolarHBondContact N-O 3.08Å; C180-F191 HydrophobicContact CB-CE1 3.87Å; C180-F191 HydrophobicContact CB-CZ 4.31Å | ||
| 181 | P | 74.2 | Confident | 72 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | trans | -75.2 | 16.5 | -177.8 | 32.6 | -37.8 | 0 | 0 | 0 | 114.3 | F162 | F162-P181 HydrophobicContact CB-CG 3.71Å; F162-P181 HydrophobicContact CD1-CG 3.88Å; F162-P181 HydrophobicContact CD2-CG 4Å; F162-P181 HydrophobicContact CG-CG 3.58Å | ||
| 182 | N | 73.5 | Confident | 72.3 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | trans | -71.3 | 123.5 | -177.8 | -179.3 | -9.7 | 0 | 0 | 0 | 110.6 | C158 H160 C180 A184 A185 C186 | C158-N182 PolarHBondContact SG-ND2 2.91Å; H160-N182 HydrophobicContact CB-CB 3.98Å; C180-N182 PolarHBondContact O-N 2.88Å; N182-A184 PolarHBondContact O-N 3.09Å; N182-A184 WeakPolarHBondContact OD1-CB 3.14Å; N182-A184 PolarHBondContact OD1-N 3.12Å; N182-A185 PolarHBondContact O-N 3.34Å; N182-C186 HydrophobicContact CB-CB 4.2Å | ||
| 183 | P | 69.1 | Low | 72.3 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 81% | 0.805 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.3 | 178.5 | 23.6 | -34.4 | 0 | 0 | 0 | 114.2 | A185 | P183-A185 PolarHBondContact O-N 2.95Å; P183-A185 VanDerWaalsContact O-N 3.08Å |
| 184 | A | 64.3 | Low | 72.3 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 62% | 0.62 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 33.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N182 C186 | N182-A184 PolarHBondContact O-N 3.09Å; N182-A184 WeakPolarHBondContact OD1-CB 3.14Å; N182-A184 PolarHBondContact OD1-N 3.12Å; A184-C186 PolarHBondContact O-N 3.36Å |
| 185 | A | 66.8 | Low | 71.5 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 74% | 0.736 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 53.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N182 P183 N187 | N182-A185 PolarHBondContact O-N 3.34Å; P183-A185 PolarHBondContact O-N 2.95Å; P183-A185 VanDerWaalsContact O-N 3.08Å; A185-N187 PolarHBondContact O-N 2.91Å |
| 186 | C | 71.2 | Confident | 70.8 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 16% | 0.155 | 44% | 0.436 | C | S | . | . | trans | -93 | 99.9 | -172.9 | -165.4 | 0 | 0 | 0 | 0 | 114.1 | C158 C180 N182 A184 S188 | C158-C186 HydrophobicContact CB-CB 4.36Å; C158-C186 VanDerWaalsContact SG-SG 3.64Å; C180-C186 HydrophobicContact CB-CB 4.31Å; C180-C186 WeakPolarHBondContact CB-O 3.48Å; N182-C186 HydrophobicContact CB-CB 4.2Å; A184-C186 PolarHBondContact O-N 3.36Å; C186-S188 VanDerWaalsContact C-N 3.27Å; C186-S188 PolarHBondContact O-N 3.27Å | ||
| 187 | N | 71.1 | Confident | 69.8 | Low | 135 Ų | 135 | 69.3 Ų | 69.3 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | trans | -72.9 | 76.4 | 173.2 | -67.2 | -5.8 | 0 | 0 | 0 | 111.7 | K157 A185 | K157-N187 PolarHBondContact NZ-O 3.13Å; A185-N187 PolarHBondContact O-N 2.91Å | ||
| 188 | S | 73.2 | Confident | 68.8 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | -125.9 | 134.5 | 174.8 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | C155 K157 C180 C186 F191 | C155-S188 WeakPolarHBondContact SG-CB 3.42Å; K157-S188 WeakPolarHBondContact CG-OG 3.48Å; C180-S188 PolarHBondContact N-O 3.08Å; C186-S188 VanDerWaalsContact C-N 3.27Å; C186-S188 PolarHBondContact O-N 3.27Å; S188-F191 VanDerWaalsContact O-CZ 3.26Å; S188-F191 WeakPolarHBondContact O-CZ 3.2Å | ||
| 189 | F | 73.6 | Confident | 68 | Low | 152 Ų | 152 | 73 Ų | 73 | 67% | 0.667 | 46% | 0.464 | S | S | * | . | trans | -111.8 | 10.6 | 178.1 | -51.4 | -75.9 | 0 | 0 | 0 | 112.1 | V178 | V178-F189 WeakPolarHBondContact O-CD1 3.2Å; V178-F189 VanDerWaalsContact O-CE1 3.25Å; V178-F189 WeakPolarHBondContact O-CE1 3.33Å | ||
| 190 | K | 74.8 | Confident | 67.2 | Low | 156 Ų | 156 | 73.2 Ų | 73.2 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | trans | -119.5 | 122.7 | -179.1 | -69.6 | -166.6 | 176.4 | -170.2 | 0 | 110.1 | T156 | T156-K190 HydrophobicContact CG2-CB 4.43Å; T156-K190 PolarHBondContact N-O 3.32Å; T156-K190 WeakPolarHBondContact OG1-CB 3.41Å; T156-K190 PolarHBondContact OG1-O 2.7Å | ||
| 191 | F | 79.8 | Confident | 66.4 | Low | 28 Ų | 28 | 75.7 Ų | 75.7 | 12% | 0.123 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.5 | -177.1 | -49.1 | -71.4 | 0 | 0 | 0 | 109.4 | Y153 M154 C155 F162 P177 C180 S188 | Y153-F191 HydrophobicContact CD1-CB 4.12Å; M154-F191 WeakPolarHBondContact O-CA 3.35Å; C155-F191 HydrophobicContact CB-CD1 4.19Å; C155-F191 HydrophobicContact CB-CE1 4.33Å; F162-F191 AromaticContact CE1-CD1 3.54Å; F162-F191 HydrophobicContact CE1-CD1 3.54Å; F162-F191 AromaticContact CE1-CE1 3.78Å; F162-F191 HydrophobicContact CE1-CE1 3.78Å; F162-F191 HydrophobicContact CE1-CG 4.42Å; F162-F191 HydrophobicContact CZ-CB 4.47Å; F162-F191 AromaticContact CZ-CD1 3.44Å; F162-F191 HydrophobicContact CZ-CD1 3.44Å; F162-F191 VanDerWaalsContact CZ-CD1 3.44Å; F162-F191 AromaticContact CZ-CE1 3.74Å; F162-F191 HydrophobicContact CZ-CE1 3.74Å; F162-F191 AromaticContact CZ-CG 3.93Å; F162-F191 HydrophobicContact CZ-CG 3.93Å; F162-F191 HydrophobicContact CZ-CZ 4.46Å; P177-F191 VanDerWaalsContact O-CE2 3.27Å; P177-F191 WeakPolarHBondContact O-CE2 3.39Å; C180-F191 HydrophobicContact CB-CE1 3.87Å; C180-F191 HydrophobicContact CB-CZ 4.31Å; S188-F191 VanDerWaalsContact O-CZ 3.26Å; S188-F191 WeakPolarHBondContact O-CZ 3.2Å |
| 192 | S | 77.3 | Confident | 66.2 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 26% | 0.259 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.7 | 171.7 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | M154 L194 | M154-S192 PolarHBondContact N-O 3.44Å; M154-S192 PolarHBondContact O-N 2.89Å; M154-S192 PolarHBondContact O-OG 2.89Å; S192-L194 PolarHBondContact O-N 2.76Å |
| 193 | C | 70.8 | Confident | 66.4 | Low | 52 Ų | 52 | 74.3 Ų | 74.3 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 130.6 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | Y153 S195 | Y153-C193 HydrophobicContact CD1-CB 4.36Å; Y153-C193 HydrophobicContact CE1-CB 4.14Å; C193-S195 PolarHBondContact SG-N 3.3Å; C193-S195 VanDerWaalsContact SG-N 3.41Å |
| 194 | L | 68.9 | Low | 67 | Low | 78 Ų | 78 | 71 Ų | 71 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -82.2 | -29.9 | 175.2 | -67.7 | 176.6 | 0 | 0 | 0 | 112 | D152 M154 V161 S192 G196 | D152-L194 HydrophobicContact CB-CB 4.35Å; D152-L194 HydrophobicContact CB-CD1 4.29Å; D152-L194 PolarHBondContact O-N 3.29Å; M154-L194 HydrophobicContact CB-CD1 4.19Å; M154-L194 HydrophobicContact CB-CD2 3.95Å; M154-L194 HydrophobicContact CB-CG 4Å; M154-L194 HydrophobicContact CE-CD2 3.92Å; M154-L194 HydrophobicContact SD-CD2 4.3Å; V161-L194 HydrophobicContact CG1-CD1 3.79Å; V161-L194 HydrophobicContact CG2-CD1 3.92Å; S192-L194 PolarHBondContact O-N 2.76Å; L194-G196 PolarHBondContact O-N 2.76Å |
| 195 | S | 57.7 | Low | 68.1 | Low | 19 Ų | 19 | 70.1 Ų | 70.1 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | trans | -71.8 | 4.9 | -172.8 | -44.4 | 0 | 0 | 0 | 0 | 115.3 | C193 G197 | C193-S195 PolarHBondContact SG-N 3.3Å; C193-S195 VanDerWaalsContact SG-N 3.41Å; S195-G197 PolarHBondContact O-N 2.77Å | ||
| 196 | G | 52.8 | Low | 69.1 | Low | 79 Ų | 79 | 66.3 Ų | 66.3 | 81% | 0.814 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -70 | 2.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L194 | L194-G196 PolarHBondContact O-N 2.76Š|
| 197 | G | 50.9 | Low | 70 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 84% | 0.835 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -162.9 | 10.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | S195 | S195-G197 PolarHBondContact O-N 2.77Š|
| 198 | S | 52.2 | Low | 70.8 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -109 | 169.2 | 169.8 | 69 | 0 | 0 | 0 | 0 | 109.8 | ||
| 199 | E | 54.4 | Low | 71.7 | Confident | 180 Ų | 180 | 61 Ų | 61 | 84% | 0.841 | 37% | 0.368 | S | S | * | . | trans | -62.1 | 139.5 | 161.6 | -64.9 | 178.4 | 155.7 | 0 | 0 | 108.8 | ||||
| 200 | P | 58.3 | Low | 72.5 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | trans | -68.2 | 137.9 | -178.1 | 25.5 | -33.6 | 0 | 0 | 0 | 111.6 | E148 A202 C203 C904 | E148-P200 HydrophobicContact CG-CB 3.75Å; E148-P200 HydrophobicContact CG-CG 4.15Å; P200-A202 VanDerWaalsContact C-N 3.33Å; P200-A202 PolarHBondContact O-N 3.03Å; P200-C203 WeakPolarHBondContact CG-SG 3.35Å; P200-C904 HydrophobicContact CG-CB 4.44Å | ||
| 201 | A | 60.2 | Low | 73.2 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 55% | 0.554 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -73 | -20.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 202 | A | 69.1 | Low | 73.6 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 114.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y149 E150 P200 | Y149-A202 PolarHBondContact N-O 3.17Å; E150-A202 HydrophobicContact CB-CB 4.13Å; E150-A202 HydrophobicContact CG-CB 4.37Å; P200-A202 VanDerWaalsContact C-N 3.33Å; P200-A202 PolarHBondContact O-N 3.03Å |
| 203 | C | 77.3 | Confident | 74 | Confident | 44 Ų | 44 | 48 Ų | 48 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 158.4 | 168.5 | -83.9 | 0 | 0 | 0 | 0 | 111.1 | V146 L147 P200 | V146-C203 HydrophobicContact CG1-CB 3.66Å; L147-C203 CarbonylContact O-C 3.55Å; L147-C203 WeakPolarHBondContact O-CA 3.49Å; L147-C203 WeakPolarHBondContact O-CB 3.44Å; L147-C203 PolarHBondContact O-SG 3.35Å; L147-C203 VanDerWaalsContact O-SG 3.41Å; P200-C203 WeakPolarHBondContact CG-SG 3.35Å |
| 204 | R | 81.9 | Confident | 74.3 | Confident | 55 Ų | 55 | 47 Ų | 47 | 21% | 0.208 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 145 | 165 | -68.2 | -166.8 | -174.5 | 168.2 | 4.3 | 109.7 | L147 Y149 E232 D233 | L147-R204 PolarHBondContact N-O 2.68Å; L147-R204 PolarHBondContact O-N 3.49Å; Y149-R204 VanDerWaalsContact CE1-NH2 3.27Å; R204-E232 IonicContact NH1-OE2 2.69Å; R204-E232 PolarHBondContact NH1-OE2 3.34Å; R204-D233 VanDerWaalsContact CB-OD1 3.28Å; R204-D233 WeakPolarHBondContact CB-OD1 3.47Å; R204-D233 WeakPolarHBondContact CD-OD1 3.46Å; R204-D233 VanDerWaalsContact CG-OD1 3.22Å; R204-D233 WeakPolarHBondContact CG-OD1 3.42Å |
| 205 | D | 87.9 | Confident | 74.3 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141.9 | 163.4 | -85.4 | -65.6 | 0 | 0 | 0 | 109 | V146 E232 D233 V236 R902 | V146-D205 WeakPolarHBondContact CG2-OD1 3.48Å; D205-E232 WeakPolarHBondContact O-CA 3.5Å; D205-D233 PolarHBondContact O-N 2.8Å; D205-V236 HydrophobicContact CB-CG2 4.14Å; D205-R902 IonicContact OD1-CZ 2.73Å; D205-R902 IonicContact OD1-NH1 3.85Å; D205-R902 PolarHBondContact OD1-NH1 3.19Å; D205-R902 IonicContact OD2-NH1 2.71Å |
| 206 | Y | 88.4 | Confident | 74.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 131.7 | -167.9 | 178.4 | -95.3 | 0 | 0 | 0 | 110.8 | K145 L147 Y172 E208 V230 R254 | K145-Y206 HydrophobicContact CB-CD1 4.38Å; K145-Y206 HydrophobicContact CD-CD1 4.35Å; K145-Y206 PolarHBondContact N-O 3.03Å; K145-Y206 PolarHBondContact O-N 3.29Å; L147-Y206 HydrophobicContact CD1-CD1 3.78Å; L147-Y206 HydrophobicContact CD1-CD2 3.65Å; L147-Y206 HydrophobicContact CD1-CE1 4.25Å; L147-Y206 HydrophobicContact CD1-CE2 4.13Å; L147-Y206 HydrophobicContact CD1-CG 3.44Å; L147-Y206 VanDerWaalsContact CD1-CG 3.44Å; L147-Y206 HydrophobicContact CG-CD1 4.31Å; L147-Y206 HydrophobicContact CG-CG 4.02Å; Y172-Y206 HydrophobicContact CD2-CE2 4.08Å; Y172-Y206 HydrophobicContact CE2-CD2 4.01Å; Y172-Y206 AromaticContact CE2-CE2 3.57Å; Y172-Y206 HydrophobicContact CE2-CE2 3.57Å; Y206-E208 HydrophobicContact CE1-CG 3.75Å; Y206-E208 WeakPolarHBondContact CE1-OE1 3.37Å; Y206-E208 VanDerWaalsContact OH-CD 3.3Å; Y206-E208 WeakPolarHBondContact OH-CG 3.36Å; Y206-E208 PolarHBondContact OH-OE1 2.95Å; Y206-V230 HydrophobicContact CD2-CG1 4.11Å; Y206-V230 HydrophobicContact CE2-CG1 3.43Å; Y206-V230 VanDerWaalsContact CE2-CG1 3.43Å; Y206-V230 HydrophobicContact CE2-CG2 4.45Å; Y206-R254 PolarHBondContact OH-NH1 3.39Å; Y206-R254 PolarHBondContact OH-NH2 2.77Å |
| 207 | Q | 88.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 135.4 | 176.9 | -167.4 | 175.5 | 29.5 | 0 | 0 | 111.7 | T141 S142 I209 L231 V236 | T141-Q207 VanDerWaalsContact CG2-NE2 3.31Å; S142-Q207 PolarHBondContact O-NE2 3.22Å; Q207-I209 HydrophobicContact CG-CG2 4.42Å; Q207-L231 HydrophobicContact CB-CB 4.31Å; Q207-L231 PolarHBondContact N-O 2.63Å; Q207-L231 PolarHBondContact O-N 2.97Å; Q207-V236 HydrophobicContact CB-CG1 4.11Å; Q207-V236 HydrophobicContact CB-CG2 4.04Å |
| 208 | E | 89.3 | Confident | 76.3 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.5 | 170 | -72.9 | 154.5 | 163.6 | 0 | 0 | 109.6 | S142 K145 Y206 V230 R254 | S142-E208 VanDerWaalsContact CB-O 3.22Å; S142-E208 WeakPolarHBondContact CB-O 3.5Å; S142-E208 PolarHBondContact N-O 3.5Å; S142-E208 WeakPolarHBondContact OG-CA 3.49Å; S142-E208 PolarHBondContact OG-N 2.8Å; S142-E208 PolarHBondContact OG-O 3Å; K145-E208 IonicContact NZ-OE2 2.85Å; Y206-E208 HydrophobicContact CE1-CG 3.75Å; Y206-E208 WeakPolarHBondContact CE1-OE1 3.37Å; Y206-E208 VanDerWaalsContact OH-CD 3.3Å; Y206-E208 WeakPolarHBondContact OH-CG 3.36Å; Y206-E208 PolarHBondContact OH-OE1 2.95Å; E208-V230 HydrophobicContact CG-CG2 4.27Å; E208-R254 IonicContact OE1-NH1 3.79Å; E208-R254 PolarHBondContact OE1-NH1 3.04Å |
| 209 | I | 90.9 | Very high | 77.1 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.2 | 169.7 | 70.4 | 172.8 | 0 | 0 | 0 | 109.3 | V138 R140 T141 Q207 I211 V229 L231 I245 | V138-I209 HydrophobicContact CG1-CB 4.35Å; V138-I209 HydrophobicContact CG2-CD1 4.35Å; R140-I209 CarbonylContact O-C 3.58Å; R140-I209 WeakPolarHBondContact O-CA 3.46Å; T141-I209 HydrophobicContact CG2-CG2 4.25Å; Q207-I209 HydrophobicContact CG-CG2 4.42Å; I209-I211 HydrophobicContact CD1-CG2 4.19Å; I209-I211 HydrophobicContact CG1-CG2 4.5Å; I209-V229 HydrophobicContact CD1-CB 4.24Å; I209-V229 HydrophobicContact CG1-CB 3.72Å; I209-V229 HydrophobicContact CG1-CG1 4.47Å; I209-V229 HydrophobicContact CG1-CG2 4.41Å; I209-V229 PolarHBondContact N-O 2.96Å; I209-V229 PolarHBondContact O-N 3.05Å; I209-L231 HydrophobicContact CD1-CD1 4.27Å; I209-L231 HydrophobicContact CD1-CD2 4Å; I209-L231 HydrophobicContact CD1-CG 4.48Å; I209-L231 HydrophobicContact CG1-CD2 4.21Å; I209-L231 HydrophobicContact CG2-CD1 3.93Å; I209-L231 HydrophobicContact CG2-CG 4.33Å; I209-I245 HydrophobicContact CD1-CD1 3.7Å |
| 210 | K | 90.3 | Very high | 77.7 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.1 | 177.2 | -161.5 | 161.2 | -173.2 | 150.6 | 0 | 109.7 | I139 R140 S226 L227 V228 | I139-K210 PolarHBondContact N-O 3.4Å; R140-K210 HydrophobicContact CB-CB 3.98Å; R140-K210 HydrophobicContact CG-CB 4.43Å; R140-K210 PolarHBondContact N-O 3.17Å; R140-K210 PolarHBondContact O-N 2.88Å; K210-S226 WeakPolarHBondContact CE-OG 3.47Å; K210-L227 WeakPolarHBondContact CA-O 3.31Å; K210-V228 HydrophobicContact CD-CG2 4.18Å; K210-V228 HydrophobicContact CG-CG2 4.26Å |
| 211 | I | 90.6 | Very high | 78.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 155.2 | 179.6 | 67.5 | 172.3 | 0 | 0 | 0 | 111.1 | V134 T137 V138 I209 S226 L227 V229 I245 | V134-I211 HydrophobicContact CB-CD1 4.44Å; V134-I211 HydrophobicContact CG1-CD1 3.8Å; T137-I211 CarbonylContact O-C 3.57Å; T137-I211 WeakPolarHBondContact O-CA 3.28Å; V138-I211 HydrophobicContact CG2-CG2 4.36Å; I209-I211 HydrophobicContact CD1-CG2 4.19Å; I209-I211 HydrophobicContact CG1-CG2 4.5Å; I211-S226 CarbonylContact O-C 3.38Å; I211-S226 WeakPolarHBondContact O-CA 3.3Å; I211-S226 WeakPolarHBondContact O-CB 3.49Å; I211-L227 HydrophobicContact CD1-CB 4.49Å; I211-L227 HydrophobicContact CD1-CD2 4.44Å; I211-L227 HydrophobicContact CG1-CB 3.99Å; I211-L227 PolarHBondContact N-O 3.38Å; I211-L227 PolarHBondContact O-N 3.01Å; I211-V229 HydrophobicContact CD1-CG2 3.81Å; I211-V229 HydrophobicContact CG1-CG2 3.84Å; I211-V229 HydrophobicContact CG2-CG2 3.96Å; I211-I245 HydrophobicContact CG2-CD1 3.9Å; I211-I245 HydrophobicContact CG2-CG1 4.24Å |
| 212 | Q | 87.7 | Confident | 78.9 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152 | 174.4 | -142.2 | 169.3 | 6.5 | 0 | 0 | 112.1 | G136 T137 I139 Q214 P224 R225 | G136-Q212 CarbonylContact C-O 3.58Å; G136-Q212 WeakPolarHBondContact CA-O 3.46Å; T137-Q212 PolarHBondContact N-O 3.24Å; T137-Q212 PolarHBondContact O-N 3.2Å; I139-Q212 HydrophobicContact CD1-CB 3.68Å; I139-Q212 HydrophobicContact CD1-CG 3.73Å; I139-Q212 HydrophobicContact CG1-CB 3.68Å; I139-Q212 HydrophobicContact CG1-CG 4.25Å; Q212-Q214 PolarHBondContact O-N 2.78Å; Q212-P224 HydrophobicContact CG-CB 4.07Å; Q212-P224 PolarHBondContact NE2-O 2.94Å; Q212-R225 WeakPolarHBondContact CG-O 3.34Å |
| 213 | E | 85.9 | Confident | 79.4 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | trans | -58.7 | 131.4 | 163.4 | -69.6 | 161.2 | 166.1 | 0 | 0 | 110.1 | T121 I122 V215 L218 R225 | T121-E213 VanDerWaalsContact CG2-OE1 3.31Å; T121-E213 WeakPolarHBondContact CG2-OE1 3.46Å; I122-E213 HydrophobicContact CB-CG 4.39Å; I122-E213 WeakPolarHBondContact CB-OE1 3.44Å; I122-E213 HydrophobicContact CD1-CG 3.78Å; I122-E213 HydrophobicContact CG1-CG 3.82Å; I122-E213 PolarHBondContact N-OE1 2.87Å; E213-V215 PolarHBondContact O-N 2.93Å; E213-V215 VanDerWaalsContact O-N 3.15Å; E213-L218 HydrophobicContact CB-CD1 4.1Å; E213-L218 HydrophobicContact CB-CD2 4.2Å; E213-L218 HydrophobicContact CB-CG 4.41Å; E213-R225 PolarHBondContact N-O 3.17Å; E213-R225 IonicContact OE1-CZ 2.71Å; E213-R225 IonicContact OE1-NE 3.77Å; E213-R225 PolarHBondContact OE1-NE 3.36Å; E213-R225 IonicContact OE1-NH2 2.66Å; E213-R225 PolarHBondContact OE1-NH2 3.43Å; E213-R225 WeakPolarHBondContact OE2-CB 3.35Å; E213-R225 PolarHBondContact OE2-N 3.11Å; E213-R225 IonicContact OE2-NE 3.28Å | ||
| 214 | Q | 76.4 | Confident | 79.5 | Confident | 31 Ų | 31 | 61 Ų | 61 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | trans | -63.9 | 114.7 | -178.8 | -75.3 | -179.2 | -25.1 | 0 | 0 | 111.2 | Q212 Q216 R217 D244 | Q212-Q214 PolarHBondContact O-N 2.78Å; Q214-Q216 PolarHBondContact O-N 2.72Å; Q214-R217 PolarHBondContact O-N 3.39Å; Q214-D244 PolarHBondContact NE2-OD1 3.05Å | ||
| 215 | V | 69.9 | Low | 79.7 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 62% | 0.618 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -54.8 | -30.9 | -175.6 | -176.5 | 0 | 0 | 0 | 0 | 113 | E213 R217 L218 | E213-V215 PolarHBondContact O-N 2.93Å; E213-V215 VanDerWaalsContact O-N 3.15Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 3.32Å; V215-L218 PolarHBondContact O-N 3.27Å |
| 216 | Q | 65.9 | Low | 79.7 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -66.7 | -21.2 | 177.8 | -61.2 | -175.7 | 14.6 | 0 | 0 | 114.4 | Q214 S377 | Q214-Q216 PolarHBondContact O-N 2.72Å; Q216-S377 PolarHBondContact NE2-O 3.01Å |
| 217 | R | 67 | Low | 79.7 | Confident | 152 Ų | 152 | 63 Ų | 63 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -100.5 | -6 | -178.9 | -65.7 | -176 | 175.5 | -145.4 | -4.6 | 113.4 | H120 Q214 V215 | H120-R217 PolarHBondContact CE1-NH1 3Å; H120-R217 PolarHBondContact ND1-NH1 3.07Å; Q214-R217 PolarHBondContact O-N 3.39Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 3.32Å |
| 218 | L | 69.8 | Low | 79.8 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -85.5 | 148.4 | -177.2 | -71.8 | 177.5 | 0 | 0 | 0 | 112.3 | E213 V215 P224 | E213-L218 HydrophobicContact CB-CD1 4.1Å; E213-L218 HydrophobicContact CB-CD2 4.2Å; E213-L218 HydrophobicContact CB-CG 4.41Å; V215-L218 PolarHBondContact O-N 3.27Å; L218-P224 HydrophobicContact CD1-CB 3.5Å; L218-P224 HydrophobicContact CD1-CG 4.49Å |
| 219 | S | 68.7 | Low | 80 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 63% | 0.629 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 141 | 173.9 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | G221 S222 | S219-G221 PolarHBondContact O-N 2.97Å; S219-G221 VanDerWaalsContact O-N 3.14Å; S219-S222 WeakPolarHBondContact O-CB 3.47Å; S219-S222 PolarHBondContact O-N 3.33Å; S219-S222 PolarHBondContact O-OG 3.21Å; S219-S222 PolarHBondContact OG-OG 3Å |
| 220 | V | 67 | Low | 80 | Confident | 160 Ų | 160 | 61.7 Ų | 61.7 | 97% | 0.97 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 118.6 | -174.5 | -178 | 0 | 0 | 0 | 0 | 110.5 | ||
| 221 | G | 69 | Low | 80.1 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -6.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S219 | S219-G221 PolarHBondContact O-N 2.97Å; S219-G221 VanDerWaalsContact O-N 3.14Å |
| 222 | S | 76.2 | Confident | 80 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 145.3 | 169.2 | 62 | 0 | 0 | 0 | 0 | 111.7 | S219 | S219-S222 WeakPolarHBondContact O-CB 3.47Å; S219-S222 PolarHBondContact O-N 3.33Å; S219-S222 PolarHBondContact O-OG 3.21Å; S219-S222 PolarHBondContact OG-OG 3Å |
| 223 | I | 78.9 | Confident | 80 | Confident | 149 Ų | 149 | 58.6 Ų | 58.6 | 76% | 0.764 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 121.6 | 178.1 | -61.4 | 176.3 | 0 | 0 | 0 | 108.7 | R225 | I223-R225 PolarHBondContact O-N 2.92Š|
| 224 | P | 79.3 | Confident | 80 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 118.2 | -179.9 | 25.8 | -34.5 | 0 | 0 | 0 | 111.3 | Q212 L218 | Q212-P224 HydrophobicContact CG-CB 4.07Å; Q212-P224 PolarHBondContact NE2-O 2.94Å; L218-P224 HydrophobicContact CD1-CB 3.5Å; L218-P224 HydrophobicContact CD1-CG 4.49Å |
| 225 | R | 85.3 | Confident | 80.5 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 165.4 | 179.2 | -58.8 | -177.5 | -60.2 | 151.6 | 15.9 | 110.8 | I122 Q212 E213 I223 | I122-R225 HydrophobicContact CD1-CB 4.1Å; I122-R225 VanDerWaalsContact CD1-O 3.25Å; I122-R225 WeakPolarHBondContact CD1-O 3.37Å; I122-R225 PolarHBondContact O-NH2 2.69Å; Q212-R225 WeakPolarHBondContact CG-O 3.34Å; E213-R225 PolarHBondContact N-O 3.17Å; E213-R225 IonicContact OE1-CZ 2.71Å; E213-R225 IonicContact OE1-NE 3.77Å; E213-R225 PolarHBondContact OE1-NE 3.36Å; E213-R225 IonicContact OE1-NH2 2.66Å; E213-R225 PolarHBondContact OE1-NH2 3.43Å; E213-R225 WeakPolarHBondContact OE2-CB 3.35Å; E213-R225 PolarHBondContact OE2-N 3.11Å; E213-R225 IonicContact OE2-NE 3.28Å; I223-R225 PolarHBondContact O-N 2.92Å |
| 226 | S | 87.7 | Confident | 81.4 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.1 | -178 | 68.4 | 0 | 0 | 0 | 0 | 112 | K210 I211 | K210-S226 WeakPolarHBondContact CE-OG 3.47Å; I211-S226 CarbonylContact O-C 3.38Å; I211-S226 WeakPolarHBondContact O-CA 3.3Å; I211-S226 WeakPolarHBondContact O-CB 3.49Å |
| 227 | L | 90.1 | Very high | 82.3 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.9 | -177.9 | 179.4 | 64.5 | 0 | 0 | 0 | 109.5 | I122 P123 V134 K210 I211 M251 L268 L270 | I122-L227 HydrophobicContact CD1-CB 3.86Å; I122-L227 HydrophobicContact CG1-CB 4.02Å; I122-L227 HydrophobicContact CG2-CB 4.05Å; I122-L227 HydrophobicContact CG2-CD1 4.38Å; I122-L227 HydrophobicContact CG2-CD2 4.42Å; P123-L227 HydrophobicContact CG-CD2 4.28Å; V134-L227 HydrophobicContact CG1-CD2 4.42Å; K210-L227 WeakPolarHBondContact CA-O 3.31Å; I211-L227 HydrophobicContact CD1-CB 4.49Å; I211-L227 HydrophobicContact CD1-CD2 4.44Å; I211-L227 HydrophobicContact CG1-CB 3.99Å; I211-L227 PolarHBondContact N-O 3.38Å; I211-L227 PolarHBondContact O-N 3.01Å; L227-M251 HydrophobicContact CD1-CE 4.31Å; L227-L268 HydrophobicContact CD1-CD2 4.28Å; L227-L268 HydrophobicContact CD1-CG 4.19Å; L227-L268 WeakPolarHBondContact CD1-O 3.44Å; L227-L270 HydrophobicContact CD2-CB 4Å; L227-L270 HydrophobicContact CD2-CD2 4.31Å; L227-L270 HydrophobicContact CG-CB 4.49Å |
| 228 | V | 90.6 | Very high | 83.1 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.1 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 109 | K210 E267 V269 L270 | K210-V228 HydrophobicContact CD-CG2 4.18Å; K210-V228 HydrophobicContact CG-CG2 4.26Å; V228-E267 WeakPolarHBondContact CG2-OE1 3.11Å; V228-V269 HydrophobicContact CB-CG2 4.43Å; V228-V269 HydrophobicContact CG1-CG1 4.49Å; V228-V269 WeakPolarHBondContact O-CA 3.21Å; V228-L270 PolarHBondContact O-N 3.4Å |
| 229 | V | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.5 | 178.5 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | I209 I211 L231 V247 L270 A272 | I209-V229 HydrophobicContact CD1-CB 4.24Å; I209-V229 HydrophobicContact CG1-CB 3.72Å; I209-V229 HydrophobicContact CG1-CG1 4.47Å; I209-V229 HydrophobicContact CG1-CG2 4.41Å; I209-V229 PolarHBondContact N-O 2.96Å; I209-V229 PolarHBondContact O-N 3.05Å; I211-V229 HydrophobicContact CD1-CG2 3.81Å; I211-V229 HydrophobicContact CG1-CG2 3.84Å; I211-V229 HydrophobicContact CG2-CG2 3.96Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å; V229-V247 HydrophobicContact CG1-CG1 3.76Å; V229-V247 HydrophobicContact CG1-CG2 4.28Å; V229-L270 CarbonylContact C-O 3.52Å; V229-L270 VanDerWaalsContact CA-O 3.28Å; V229-L270 WeakPolarHBondContact CA-O 3.44Å; V229-L270 HydrophobicContact CG1-CB 4.27Å; V229-L270 HydrophobicContact CG1-CD2 4.23Å; V229-L270 HydrophobicContact CG1-CG 4.21Å; V229-L270 WeakPolarHBondContact CG1-O 3.37Å; V229-L270 HydrophobicContact CG2-CB 4.24Å; V229-L270 HydrophobicContact CG2-CD2 4.18Å; V229-A272 HydrophobicContact CG1-CB 4.05Å |
| 230 | V | 92.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.6 | -179.1 | 169.2 | 0 | 0 | 0 | 0 | 109.7 | F168 Y206 E208 E232 V269 L270 A272 | F168-V230 HydrophobicContact CE2-CB 4.4Å; F168-V230 HydrophobicContact CE2-CG1 3.88Å; F168-V230 HydrophobicContact CZ-CB 4.22Å; F168-V230 HydrophobicContact CZ-CG1 4.19Å; F168-V230 HydrophobicContact CZ-CG2 4.27Å; Y206-V230 HydrophobicContact CD2-CG1 4.11Å; Y206-V230 HydrophobicContact CE2-CG1 3.43Å; Y206-V230 VanDerWaalsContact CE2-CG1 3.43Å; Y206-V230 HydrophobicContact CE2-CG2 4.45Å; E208-V230 HydrophobicContact CG-CG2 4.27Å; V230-E232 HydrophobicContact CG1-CG 4.35Å; V230-V269 HydrophobicContact CB-CG1 4.36Å; V230-V269 HydrophobicContact CG2-CG1 3.51Å; V230-L270 PolarHBondContact N-O 3.22Å; V230-A272 WeakPolarHBondContact O-CB 3.39Å; V230-A272 PolarHBondContact O-N 3.21Å |
| 231 | L | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.3 | 176.8 | -36.9 | -171.1 | 0 | 0 | 0 | 108.6 | Q207 I209 V229 L235 V236 A272 I275 | Q207-L231 HydrophobicContact CB-CB 4.31Å; Q207-L231 PolarHBondContact N-O 2.63Å; Q207-L231 PolarHBondContact O-N 2.97Å; I209-L231 HydrophobicContact CD1-CD1 4.27Å; I209-L231 HydrophobicContact CD1-CD2 4Å; I209-L231 HydrophobicContact CD1-CG 4.48Å; I209-L231 HydrophobicContact CG1-CD2 4.21Å; I209-L231 HydrophobicContact CG2-CD1 3.93Å; I209-L231 HydrophobicContact CG2-CG 4.33Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å; L231-L235 HydrophobicContact CB-CB 4.05Å; L231-L235 WeakPolarHBondContact CD1-O 3.48Å; L231-V236 HydrophobicContact CB-CG2 4.39Å; L231-A272 HydrophobicContact CD2-CB 3.93Å; L231-I275 HydrophobicContact CD1-CD1 3.74Å; L231-I275 HydrophobicContact CD2-CD1 3.51Å; L231-I275 HydrophobicContact CD2-CG1 4.41Å; L231-I275 HydrophobicContact CG-CD1 4.2Å |
| 232 | E | 88.8 | Confident | 85.7 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.5 | -179.6 | -72.8 | 171.1 | -137.6 | 0 | 0 | 109.7 | Y172 R204 D205 V230 D234 L235 R271 | Y172-E232 PolarHBondContact OH-OE1 2.79Å; Y172-E232 PolarHBondContact OH-OE2 2.81Å; R204-E232 IonicContact NH1-OE2 2.69Å; R204-E232 PolarHBondContact NH1-OE2 3.34Å; D205-E232 WeakPolarHBondContact O-CA 3.5Å; V230-E232 HydrophobicContact CG1-CG 4.35Å; E232-D234 PolarHBondContact O-N 3.44Å; E232-L235 PolarHBondContact O-N 2.66Å; E232-R271 IonicContact OE1-CZ 2.68Å; E232-R271 IonicContact OE1-NE 3.26Å; E232-R271 PolarHBondContact OE1-NE 3.26Å; E232-R271 IonicContact OE1-NH2 3.39Å; E232-R271 PolarHBondContact OE1-NH2 3.38Å; E232-R271 IonicContact OE2-CZ 3.1Å; E232-R271 IonicContact OE2-NE 2.78Å; E232-R271 IonicContact OE2-NH2 2.66Å; E232-R271 PolarHBondContact OE2-NH2 3.23Å |
| 233 | D | 86.8 | Confident | 85.9 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | 51.7 | -117.8 | 174 | -57.6 | -15.6 | 0 | 0 | 0 | 113.5 | H39 H105 R204 D205 L235 V236 | H39-D233 IonicContact CE1-OD1 3.87Å; H39-D233 IonicContact CE1-OD2 3.29Å; H39-D233 PolarHBondContact CE1-OD2 2.94Å; H39-D233 IonicContact ND1-OD2 3.61Å; H39-D233 PolarHBondContact ND1-OD2 2.72Å; H105-D233 IonicContact CD2-OD2 2.78Å; H105-D233 IonicContact CE1-OD2 3.76Å; H105-D233 PolarHBondContact CE1-OD2 2.71Å; H105-D233 IonicContact NE2-OD2 3.36Å; H105-D233 PolarHBondContact NE2-OD2 3.49Å; R204-D233 VanDerWaalsContact CB-OD1 3.28Å; R204-D233 WeakPolarHBondContact CB-OD1 3.47Å; R204-D233 WeakPolarHBondContact CD-OD1 3.46Å; R204-D233 VanDerWaalsContact CG-OD1 3.22Å; R204-D233 WeakPolarHBondContact CG-OD1 3.42Å; D205-D233 PolarHBondContact O-N 2.8Å; D233-L235 VanDerWaalsContact C-N 3.25Å; D233-L235 PolarHBondContact O-N 2.82Å; D233-V236 WeakPolarHBondContact O-CB 3.42Å; D233-V236 PolarHBondContact O-N 2.89Å |
| 234 | D | 86.5 | Confident | 86.1 | Confident | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -67.5 | -15.6 | -176.9 | 60.2 | -53.1 | 0 | 0 | 0 | 114.7 | H39 S41 H105 R107 E232 V236 | H39-D234 HydrophobicContact CB-CB 4.22Å; S41-D234 VanDerWaalsContact CB-OD2 3.23Å; S41-D234 WeakPolarHBondContact CB-OD2 3.36Å; S41-D234 PolarHBondContact OG-OD2 2.91Å; H105-D234 IonicContact CD2-OD1 2.69Å; H105-D234 PolarHBondContact CD2-OD1 3.06Å; R107-D234 IonicContact CZ-OD1 3.53Å; R107-D234 IonicContact CZ-OD2 3.35Å; R107-D234 IonicContact NE-OD1 3.45Å; R107-D234 IonicContact NE-OD2 3.75Å; R107-D234 PolarHBondContact NE-OD2 2.78Å; R107-D234 IonicContact NH2-OD1 2.75Å; R107-D234 PolarHBondContact NH2-OD1 3.4Å; R107-D234 IonicContact NH2-OD2 2.73Å; E232-D234 PolarHBondContact O-N 3.44Å; D234-V236 VanDerWaalsContact C-N 3.27Å; D234-V236 PolarHBondContact O-N 2.61Å |
| 235 | L | 87.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -79 | -9 | 178.1 | -62.3 | 179.5 | 0 | 0 | 0 | 113.1 | L231 E232 D233 S238 A272 I275 | L231-L235 HydrophobicContact CB-CB 4.05Å; L231-L235 WeakPolarHBondContact CD1-O 3.48Å; E232-L235 PolarHBondContact O-N 2.66Å; D233-L235 VanDerWaalsContact C-N 3.25Å; D233-L235 PolarHBondContact O-N 2.82Å; L235-S238 WeakPolarHBondContact O-CB 3.31Å; L235-S238 PolarHBondContact O-OG 3.36Å; L235-A272 HydrophobicContact CD1-CB 4.04Å; L235-I275 HydrophobicContact CB-CD1 4.39Å; L235-I275 HydrophobicContact CD2-CG1 4.45Å |
| 236 | V | 87.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 16% | 0.158 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 138.1 | -176.8 | 174 | 0 | 0 | 0 | 0 | 111.8 | A144 D205 Q207 L231 D233 D234 S238 | A144-V236 HydrophobicContact CB-CG1 3.52Å; D205-V236 HydrophobicContact CB-CG2 4.14Å; Q207-V236 HydrophobicContact CB-CG1 4.11Å; Q207-V236 HydrophobicContact CB-CG2 4.04Å; L231-V236 HydrophobicContact CB-CG2 4.39Å; D233-V236 WeakPolarHBondContact O-CB 3.42Å; D233-V236 PolarHBondContact O-N 2.89Å; D234-V236 VanDerWaalsContact C-N 3.27Å; D234-V236 PolarHBondContact O-N 2.61Å; V236-S238 PolarHBondContact O-N 2.84Å |
| 237 | D | 85.9 | Confident | 86.8 | Confident | 113 Ų | 113 | 24.1 Ų | 24.1 | 60% | 0.604 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 10.4 | -175.6 | -146.6 | 36 | 0 | 0 | 0 | 115.5 | ||
| 238 | S | 83.8 | Confident | 86.8 | Confident | 61 Ų | 61 | 24.8 Ų | 24.8 | 43% | 0.427 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -69.3 | -34.1 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | L235 V236 | L235-S238 WeakPolarHBondContact O-CB 3.31Å; L235-S238 PolarHBondContact O-OG 3.36Å; V236-S238 PolarHBondContact O-N 2.84Å |
| 239 | C | 83.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -118 | 149.6 | -178.4 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | V138 I245 | V138-C239 HydrophobicContact CG2-CB 4.4Å; C239-I245 HydrophobicContact CB-CG2 4.21Å |
| 240 | K | 82.3 | Confident | 86.7 | Confident | 127 Ų | 127 | 24.3 Ų | 24.3 | 55% | 0.552 | 13% | 0.13 | S | C | * | . | trans | -115.3 | 152.9 | 177.6 | -70 | 148 | -171 | 155 | 0 | 111.5 | G242 D243 | K240-G242 PolarHBondContact O-N 2.85Å; K240-G242 VanDerWaalsContact O-N 3.13Å; K240-D243 PolarHBondContact N-OD2 2.91Å; K240-D243 VanDerWaalsContact N-OD2 3.15Å; K240-D243 WeakPolarHBondContact O-CB 3.42Å; K240-D243 PolarHBondContact O-N 2.84Å | ||
| 241 | S | 82.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 119.4 | 172.7 | -59 | 0 | 0 | 0 | 0 | 110 | V138 T141 V411 | V138-S241 CarbonylContact O-C 3.49Å; V138-S241 WeakPolarHBondContact O-CA 3.42Å; T141-S241 WeakPolarHBondContact CB-OG 3.3Å; T141-S241 PolarHBondContact N-OG 3.28Å; T141-S241 PolarHBondContact OG1-N 3.16Å; T141-S241 PolarHBondContact OG1-OG 2.9Å; S241-V411 WeakPolarHBondContact O-CG1 3.3Å |
| 242 | G | 78.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.2 | -12.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V138 K240 R378 | V138-G242 PolarHBondContact O-N 3.08Å; K240-G242 PolarHBondContact O-N 2.85Å; K240-G242 VanDerWaalsContact O-N 3.13Å; G242-R378 VanDerWaalsContact C-NH2 3.28Å; G242-R378 PolarHBondContact O-NH2 3.16Å |
| 243 | D | 80.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 26.9 Ų | 26.9 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | trans | -79.1 | 141.7 | 176.5 | -65.5 | -32 | 0 | 0 | 0 | 112.2 | T137 V138 K240 I245 R378 | T137-D243 WeakPolarHBondContact CA-O 2.94Å; V138-D243 PolarHBondContact N-O 3.16Å; K240-D243 PolarHBondContact N-OD2 2.91Å; K240-D243 VanDerWaalsContact N-OD2 3.15Å; K240-D243 WeakPolarHBondContact O-CB 3.42Å; K240-D243 PolarHBondContact O-N 2.84Å; D243-I245 HydrophobicContact CB-CG2 4.32Å; D243-R378 IonicContact OD1-CZ 3.15Å; D243-R378 IonicContact OD1-NH1 2.7Å; D243-R378 IonicContact OD1-NH2 3.89Å; D243-R378 PolarHBondContact OD1-NH2 3.4Å | ||
| 244 | D | 82.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 26.2 Ų | 26.2 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.2 | 168.5 | -84.3 | -44.3 | 0 | 0 | 0 | 109.2 | T137 Q214 N278 Q280 | T137-D244 WeakPolarHBondContact CB-OD1 3.45Å; T137-D244 PolarHBondContact OG1-OD1 3.28Å; Q214-D244 PolarHBondContact NE2-OD1 3.05Å; D244-N278 CarbonylContact O-C 3.56Å; D244-N278 WeakPolarHBondContact O-CA 3.4Å; D244-N278 PolarHBondContact O-N 3.29Å; D244-Q280 PolarHBondContact OD2-NE2 2.71Å |
| 245 | I | 87.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146 | -175.8 | 68 | 172 | 0 | 0 | 0 | 112.5 | G136 V138 I209 I211 C239 D243 V247 I275 E276 | G136-I245 PolarHBondContact N-O 3.48Å; G136-I245 PolarHBondContact O-N 3.34Å; G136-I245 VanDerWaalsContact O-O 3.1Å; V138-I245 HydrophobicContact CG2-CD1 3.53Å; V138-I245 HydrophobicContact CG2-CG1 3.91Å; V138-I245 HydrophobicContact CG2-CG2 4.12Å; I209-I245 HydrophobicContact CD1-CD1 3.7Å; I211-I245 HydrophobicContact CG2-CD1 3.9Å; I211-I245 HydrophobicContact CG2-CG1 4.24Å; C239-I245 HydrophobicContact CB-CG2 4.21Å; D243-I245 HydrophobicContact CB-CG2 4.32Å; I245-V247 HydrophobicContact CD1-CG2 3.53Å; I245-V247 HydrophobicContact CG1-CG2 3.96Å; I245-I275 HydrophobicContact CB-CG2 3.92Å; I245-I275 HydrophobicContact CD1-CG2 3.91Å; I245-I275 HydrophobicContact CG1-CG2 4.45Å; I245-I275 HydrophobicContact CG2-CG2 4.17Å; I245-E276 CarbonylContact C-O 3.57Å; I245-E276 WeakPolarHBondContact CA-O 3.38Å |
| 246 | T | 88.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.3 | 162 | -46 | 0 | 0 | 0 | 0 | 107.4 | S133 T135 Y248 I275 E276 | S133-T246 WeakPolarHBondContact OG-CG2 3.49Å; T135-T246 HydrophobicContact CG2-CG2 4Å; T246-Y248 HydrophobicContact CG2-CD2 4.3Å; T246-Y248 HydrophobicContact CG2-CE1 4.45Å; T246-Y248 HydrophobicContact CG2-CE2 3.63Å; T246-I275 WeakPolarHBondContact O-CA 3.43Å; T246-E276 PolarHBondContact N-O 3.22Å; T246-E276 PolarHBondContact O-N 3.36Å |
| 247 | V | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.1 | 173.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | S133 V134 V229 I245 L270 A272 | S133-V247 CarbonylContact C-O 3.58Å; S133-V247 WeakPolarHBondContact CA-O 3.31Å; V134-V247 PolarHBondContact N-O 3.26Å; V134-V247 PolarHBondContact O-N 3.39Å; V229-V247 HydrophobicContact CG1-CG1 3.76Å; V229-V247 HydrophobicContact CG1-CG2 4.28Å; I245-V247 HydrophobicContact CD1-CG2 3.53Å; I245-V247 HydrophobicContact CG1-CG2 3.96Å; V247-L270 HydrophobicContact CB-CD2 3.82Å; V247-L270 HydrophobicContact CG1-CD2 3.54Å; V247-L270 HydrophobicContact CG1-CG 4.15Å; V247-A272 HydrophobicContact CG1-CB 3.7Å |
| 248 | Y | 91 | Very high | 84.2 | Confident | 19 Ų | 19 | 34.6 Ų | 34.6 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.1 | 168.2 | -62.5 | -87.2 | 0 | 0 | 0 | 108.4 | L111 F131 L132 T246 N273 N274 E276 | L111-Y248 HydrophobicContact CB-CE1 4.2Å; L111-Y248 HydrophobicContact CD1-CD1 3.89Å; L111-Y248 HydrophobicContact CD1-CE1 4.2Å; L111-Y248 HydrophobicContact CG-CD1 3.87Å; L111-Y248 HydrophobicContact CG-CE1 3.91Å; F131-Y248 HydrophobicContact CE1-CD1 4.36Å; L132-Y248 WeakPolarHBondContact O-CA 3.4Å; T246-Y248 HydrophobicContact CG2-CD2 4.3Å; T246-Y248 HydrophobicContact CG2-CE1 4.45Å; T246-Y248 HydrophobicContact CG2-CE2 3.63Å; Y248-N273 PolarHBondContact O-N 2.64Å; Y248-N274 PolarHBondContact N-O 2.69Å; Y248-N274 PolarHBondContact O-N 3.27Å; Y248-E276 HydrophobicContact CE2-CG 3.98Å |
| 249 | G | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F131 L132 L270 R271 | F131-G249 CarbonylContact C-O 3.58Å; F131-G249 WeakPolarHBondContact CA-O 3.36Å; L132-G249 PolarHBondContact N-O 2.83Å; L132-G249 PolarHBondContact O-N 2.84Å; G249-L270 VanDerWaalsContact C-CD1 3.49Å; G249-R271 CarbonylContact C-O 3.45Å; G249-R271 WeakPolarHBondContact CA-O 3.46Å |
| 250 | V | 90.4 | Very high | 83 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.3 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | P64 K65 H130 F131 Y252 R271 | P64-V250 HydrophobicContact CB-CG2 3.95Å; P64-V250 HydrophobicContact CG-CG2 3.92Å; K65-V250 HydrophobicContact CG-CG1 4.26Å; H130-V250 WeakPolarHBondContact O-CA 3.41Å; F131-V250 HydrophobicContact CB-CG2 4.44Å; F131-V250 HydrophobicContact CD2-CG2 3.74Å; V250-Y252 HydrophobicContact CB-CD2 4.39Å; V250-Y252 HydrophobicContact CB-CE2 3.9Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE2 3.79Å; V250-Y252 WeakPolarHBondContact O-CD2 3.18Å; V250-R271 PolarHBondContact N-O 2.87Å; V250-R271 PolarHBondContact O-N 2.89Å |
| 251 | M | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133 | 175.7 | -69.9 | -60 | -58.4 | 0 | 0 | 112.2 | P123 D127 G129 H130 L132 L227 L268 L270 | P123-M251 HydrophobicContact CB-CE 4.19Å; P123-M251 HydrophobicContact CB-SD 4.36Å; P123-M251 HydrophobicContact CG-CE 3.57Å; P123-M251 HydrophobicContact CG-CG 4.32Å; P123-M251 HydrophobicContact CG-SD 3.53Å; P123-M251 VanDerWaalsContact CG-SD 3.53Å; D127-M251 WeakPolarHBondContact O-CB 3.49Å; G129-M251 PolarHBondContact N-O 2.78Å; H130-M251 PolarHBondContact O-N 2.88Å; H130-M251 VanDerWaalsContact O-N 3.12Å; L132-M251 HydrophobicContact CD1-CG 3.43Å; L132-M251 VanDerWaalsContact CD1-CG 3.43Å; L132-M251 HydrophobicContact CD1-SD 4.17Å; L132-M251 HydrophobicContact CG-CG 4.14Å; L227-M251 HydrophobicContact CD1-CE 4.31Å; M251-L268 HydrophobicContact CE-CD1 3.5Å; M251-L268 HydrophobicContact CE-CD2 3.77Å; M251-L268 HydrophobicContact CE-CG 3.45Å; M251-L268 VanDerWaalsContact CE-CG 3.45Å; M251-L270 HydrophobicContact CG-CD1 4.45Å; M251-L270 HydrophobicContact SD-CB 3.98Å; M251-L270 HydrophobicContact SD-CD1 3.69Å; M251-L270 HydrophobicContact SD-CG 4.38Å |
| 252 | Y | 88.8 | Confident | 82.4 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 157.2 | 177.3 | -75.1 | -108.2 | 0 | 0 | 0 | 111 | K65 F168 D169 V250 V269 R271 | K65-Y252 VanDerWaalsContact CE-CZ 3.43Å; K65-Y252 WeakPolarHBondContact CE-OH 3.14Å; K65-Y252 VanDerWaalsContact NZ-CE1 3.26Å; F168-Y252 AromaticContact CD1-CD1 3.53Å; F168-Y252 HydrophobicContact CD1-CD1 3.53Å; F168-Y252 AromaticContact CD1-CE1 3.74Å; F168-Y252 HydrophobicContact CD1-CE1 3.74Å; F168-Y252 AromaticContact CD1-CG 3.96Å; F168-Y252 HydrophobicContact CD1-CG 3.96Å; F168-Y252 AromaticContact CE1-CD1 3.78Å; F168-Y252 HydrophobicContact CE1-CD1 3.78Å; F168-Y252 HydrophobicContact CE1-CD2 4.09Å; F168-Y252 HydrophobicContact CE1-CE1 4.21Å; F168-Y252 AromaticContact CE1-CG 3.68Å; F168-Y252 HydrophobicContact CE1-CG 3.68Å; F168-Y252 HydrophobicContact CG-CD1 4.5Å; F168-Y252 HydrophobicContact CG-CE1 4.3Å; D169-Y252 VanDerWaalsContact OD1-CD1 3.24Å; D169-Y252 WeakPolarHBondContact OD1-CD1 3.32Å; V250-Y252 HydrophobicContact CB-CD2 4.39Å; V250-Y252 HydrophobicContact CB-CE2 3.9Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE2 3.79Å; V250-Y252 WeakPolarHBondContact O-CD2 3.18Å; Y252-V269 PolarHBondContact N-O 2.68Å; Y252-V269 PolarHBondContact O-N 3.13Å; Y252-V269 VanDerWaalsContact O-O 3.14Å; Y252-R271 HydrophobicContact CD2-CB 3.7Å; Y252-R271 HydrophobicContact CE2-CB 3.54Å; Y252-R271 HydrophobicContact CE2-CG 4.21Å; Y252-R271 PolarHBondContact OH-NH1 2.99Å |
| 253 | L | 88.3 | Confident | 82.2 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134 | 158.9 | -63.3 | 171.9 | 0 | 0 | 0 | 107.4 | V128 W255 V266 E267 L268 | V128-L253 HydrophobicContact CG1-CG 4.2Å; V128-L253 HydrophobicContact CG2-CD1 4.2Å; V128-L253 HydrophobicContact CG2-CD2 3.96Å; V128-L253 HydrophobicContact CG2-CG 3.73Å; L253-W255 WeakPolarHBondContact O-CZ3 3.27Å; L253-V266 HydrophobicContact CB-CG1 3.9Å; L253-V266 HydrophobicContact CD1-CG1 4.39Å; L253-V266 HydrophobicContact CD2-CG1 3.93Å; L253-V266 HydrophobicContact CG-CG1 4.28Å; L253-E267 WeakPolarHBondContact CA-O 3.38Å; L253-L268 HydrophobicContact CD2-CB 4.47Å; L253-L268 HydrophobicContact CD2-CD1 3.64Å |
| 254 | R | 85 | Confident | 81.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.6 | 167.2 | -74.1 | -170.9 | 173.5 | 166.2 | -8.2 | 110.1 | F168 D169 F171 Y206 E208 V266 E267 V269 | F168-R254 HydrophobicContact CE1-CG 4.39Å; F168-R254 PolarHBondContact O-NE 3.21Å; D169-R254 VanDerWaalsContact O-CA 3.24Å; D169-R254 WeakPolarHBondContact O-CA 3.49Å; F171-R254 HydrophobicContact CD2-CB 4.4Å; F171-R254 HydrophobicContact CE2-CB 3.83Å; F171-R254 HydrophobicContact CZ-CB 3.94Å; Y206-R254 PolarHBondContact OH-NH1 3.39Å; Y206-R254 PolarHBondContact OH-NH2 2.77Å; E208-R254 IonicContact OE1-NH1 3.79Å; E208-R254 PolarHBondContact OE1-NH1 3.04Å; R254-V266 CarbonylContact O-C 3.58Å; R254-V266 WeakPolarHBondContact O-CA 3.29Å; R254-E267 PolarHBondContact N-O 3.35Å; R254-E267 PolarHBondContact O-N 3.38Å; R254-V269 HydrophobicContact CB-CG2 4.44Å; R254-V269 HydrophobicContact CG-CB 4.5Å; R254-V269 HydrophobicContact CG-CG2 4.19Å |
| 255 | W | 84.2 | Confident | 81.6 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.7 | 172.7 | 56.3 | 90.7 | 0 | 0 | 0 | 110.7 | D169 L253 D265 V266 | D169-W255 HydrophobicContact CB-CE3 4.43Å; D169-W255 HydrophobicContact CB-CH2 3.55Å; D169-W255 HydrophobicContact CB-CZ2 4.01Å; D169-W255 HydrophobicContact CB-CZ3 3.79Å; D169-W255 PolarHBondContact O-N 3.42Å; L253-W255 WeakPolarHBondContact O-CZ3 3.27Å; W255-D265 WeakPolarHBondContact CA-O 3.43Å; W255-V266 HydrophobicContact CB-CG2 4.45Å |
| 256 | K | 76.4 | Confident | 81.4 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 47% | 0.47 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 152.8 | 170.5 | -65.1 | 168.9 | -165.8 | 163.2 | 0 | 108.8 | F171 L258 D265 | F171-K256 HydrophobicContact CE2-CG 4.13Å; K256-L258 PolarHBondContact O-N 3.27Å; K256-D265 HydrophobicContact CD-CB 4.1Å; K256-D265 IonicContact NZ-OD2 2.66Å; K256-D265 PolarHBondContact NZ-OD2 2.95Å |
| 257 | P | 71.4 | Confident | 81.2 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -55 | 132.9 | 172.2 | 23.2 | -33.8 | 0 | 0 | 0 | 110.1 | Y259 | P257-Y259 HydrophobicContact CG-CE2 4.34Å; P257-Y259 WeakPolarHBondContact O-CD2 3.49Å; P257-Y259 WeakPolarHBondContact O-CE2 3.42Å |
| 258 | L | 69 | Low | 81.1 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 66% | 0.66 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 134 | -174.4 | -68.3 | 164.2 | 0 | 0 | 0 | 111 | K256 C264 | K256-L258 PolarHBondContact O-N 3.27Å; L258-C264 HydrophobicContact CD2-CB 3.96Å |
| 259 | Y | 74.6 | Confident | 81.1 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | trans | -118.1 | 134.4 | 169.6 | -57.6 | -87.2 | 0 | 0 | 0 | 109.5 | P257 G261 S262 | P257-Y259 HydrophobicContact CG-CE2 4.34Å; P257-Y259 WeakPolarHBondContact O-CD2 3.49Å; P257-Y259 WeakPolarHBondContact O-CE2 3.42Å; Y259-G261 PolarHBondContact O-N 2.67Å; Y259-S262 PolarHBondContact O-N 2.78Å; Y259-S262 PolarHBondContact O-OG 3.42Å | ||
| 260 | D | 68.6 | Low | 81.1 | Confident | 182 Ų | 182 | 65.8 Ų | 65.8 | 97% | 0.973 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 124.6 | -179 | -69.5 | -41.6 | 0 | 0 | 0 | 111.7 | ||
| 261 | G | 73.8 | Confident | 81.1 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 95% | 0.948 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 1.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | Y259 | Y259-G261 PolarHBondContact O-N 2.67Š|
| 262 | S | 78.4 | Confident | 81.3 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -97.2 | 145.9 | 170.4 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | Y259 | Y259-S262 PolarHBondContact O-N 2.78Å; Y259-S262 PolarHBondContact O-OG 3.42Å |
| 263 | P | 75.2 | Confident | 81.4 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 71% | 0.708 | 39% | 0.385 | S | S | * | . | trans | -68.3 | 148.5 | 169.6 | 30.6 | -34.6 | 0 | 0 | 0 | 110.5 | D265 | P263-D265 PolarHBondContact O-N 3Š| ||
| 264 | C | 73.4 | Confident | 81.5 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | trans | -78.8 | 101.6 | 177.5 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | L258 V266 | L258-C264 HydrophobicContact CD2-CB 3.96Å; C264-V266 HydrophobicContact CB-CG2 4.4Å; C264-V266 PolarHBondContact O-N 3.42Å; C264-V266 VanDerWaalsContact SG-CG2 3.57Å | ||
| 265 | D | 77.1 | Confident | 81.7 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | trans | -65.6 | 98.4 | 166.4 | -80.1 | -7.1 | 0 | 0 | 0 | 109.5 | W255 K256 P263 | W255-D265 WeakPolarHBondContact CA-O 3.43Å; K256-D265 HydrophobicContact CD-CB 4.1Å; K256-D265 IonicContact NZ-OD2 2.66Å; K256-D265 PolarHBondContact NZ-OD2 2.95Å; P263-D265 PolarHBondContact O-N 3Å | ||
| 266 | V | 83.4 | Confident | 81.8 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.5 | 171.9 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | L253 R254 W255 C264 | L253-V266 HydrophobicContact CB-CG1 3.9Å; L253-V266 HydrophobicContact CD1-CG1 4.39Å; L253-V266 HydrophobicContact CD2-CG1 3.93Å; L253-V266 HydrophobicContact CG-CG1 4.28Å; R254-V266 CarbonylContact O-C 3.58Å; R254-V266 WeakPolarHBondContact O-CA 3.29Å; W255-V266 HydrophobicContact CB-CG2 4.45Å; C264-V266 HydrophobicContact CB-CG2 4.4Å; C264-V266 PolarHBondContact O-N 3.42Å; C264-V266 VanDerWaalsContact SG-CG2 3.57Å |
| 267 | E | 84.4 | Confident | 82 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.9 | 178.3 | -172.4 | 169.7 | -152.5 | 0 | 0 | 110.9 | V228 L253 R254 V269 | V228-E267 WeakPolarHBondContact CG2-OE1 3.11Å; L253-E267 WeakPolarHBondContact CA-O 3.38Å; R254-E267 PolarHBondContact N-O 3.35Å; R254-E267 PolarHBondContact O-N 3.38Å; E267-V269 HydrophobicContact CB-CG2 4.43Å; E267-V269 HydrophobicContact CG-CG2 3.95Å |
| 268 | L | 87.9 | Confident | 81.8 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.9 | 176.1 | -173.8 | 71.6 | 0 | 0 | 0 | 109.5 | P123 V128 L227 M251 L253 | P123-L268 WeakPolarHBondContact O-CD2 3.3Å; V128-L268 HydrophobicContact CG2-CD1 3.83Å; L227-L268 HydrophobicContact CD1-CD2 4.28Å; L227-L268 HydrophobicContact CD1-CG 4.19Å; L227-L268 WeakPolarHBondContact CD1-O 3.44Å; M251-L268 HydrophobicContact CE-CD1 3.5Å; M251-L268 HydrophobicContact CE-CD2 3.77Å; M251-L268 HydrophobicContact CE-CG 3.45Å; M251-L268 VanDerWaalsContact CE-CG 3.45Å; L253-L268 HydrophobicContact CD2-CB 4.47Å; L253-L268 HydrophobicContact CD2-CD1 3.64Å |
| 269 | V | 90.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.1 | -171.6 | -179.8 | 0 | 0 | 0 | 0 | 111 | V228 V230 Y252 R254 E267 | V228-V269 HydrophobicContact CB-CG2 4.43Å; V228-V269 HydrophobicContact CG1-CG1 4.49Å; V228-V269 WeakPolarHBondContact O-CA 3.21Å; V230-V269 HydrophobicContact CB-CG1 4.36Å; V230-V269 HydrophobicContact CG2-CG1 3.51Å; Y252-V269 PolarHBondContact N-O 2.68Å; Y252-V269 PolarHBondContact O-N 3.13Å; Y252-V269 VanDerWaalsContact O-O 3.14Å; R254-V269 HydrophobicContact CB-CG2 4.44Å; R254-V269 HydrophobicContact CG-CB 4.5Å; R254-V269 HydrophobicContact CG-CG2 4.19Å; E267-V269 HydrophobicContact CB-CG2 4.43Å; E267-V269 HydrophobicContact CG-CG2 3.95Å |
| 270 | L | 91.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.5 | 172.8 | 177.3 | 64.4 | 0 | 0 | 0 | 109.5 | V134 L227 V228 V229 V230 V247 G249 M251 | V134-L270 HydrophobicContact CB-CD2 4.11Å; V134-L270 HydrophobicContact CG2-CD2 3.98Å; L227-L270 HydrophobicContact CD2-CB 4Å; L227-L270 HydrophobicContact CD2-CD2 4.31Å; L227-L270 HydrophobicContact CG-CB 4.49Å; V228-L270 PolarHBondContact O-N 3.4Å; V229-L270 CarbonylContact C-O 3.52Å; V229-L270 VanDerWaalsContact CA-O 3.28Å; V229-L270 WeakPolarHBondContact CA-O 3.44Å; V229-L270 HydrophobicContact CG1-CB 4.27Å; V229-L270 HydrophobicContact CG1-CD2 4.23Å; V229-L270 HydrophobicContact CG1-CG 4.21Å; V229-L270 WeakPolarHBondContact CG1-O 3.37Å; V229-L270 HydrophobicContact CG2-CB 4.24Å; V229-L270 HydrophobicContact CG2-CD2 4.18Å; V230-L270 PolarHBondContact N-O 3.22Å; V247-L270 HydrophobicContact CB-CD2 3.82Å; V247-L270 HydrophobicContact CG1-CD2 3.54Å; V247-L270 HydrophobicContact CG1-CG 4.15Å; G249-L270 VanDerWaalsContact C-CD1 3.49Å; M251-L270 HydrophobicContact CG-CD1 4.45Å; M251-L270 HydrophobicContact SD-CB 3.98Å; M251-L270 HydrophobicContact SD-CD1 3.69Å; M251-L270 HydrophobicContact SD-CG 4.38Å |
| 271 | R | 91.9 | Very high | 79.6 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 108.4 | 172 | -170.4 | 178.4 | -178.9 | -125.9 | -12.1 | 108.1 | F168 E232 G249 V250 Y252 N273 | F168-R271 HydrophobicContact CE1-CB 4.46Å; F168-R271 HydrophobicContact CE2-CB 4.23Å; F168-R271 VanDerWaalsContact CE2-CD 3.46Å; F168-R271 HydrophobicContact CE2-CG 3.7Å; F168-R271 HydrophobicContact CZ-CB 3.79Å; F168-R271 HydrophobicContact CZ-CG 3.81Å; E232-R271 IonicContact OE1-CZ 2.68Å; E232-R271 IonicContact OE1-NE 3.26Å; E232-R271 PolarHBondContact OE1-NE 3.26Å; E232-R271 IonicContact OE1-NH2 3.39Å; E232-R271 PolarHBondContact OE1-NH2 3.38Å; E232-R271 IonicContact OE2-CZ 3.1Å; E232-R271 IonicContact OE2-NE 2.78Å; E232-R271 IonicContact OE2-NH2 2.66Å; E232-R271 PolarHBondContact OE2-NH2 3.23Å; G249-R271 CarbonylContact C-O 3.45Å; G249-R271 WeakPolarHBondContact CA-O 3.46Å; V250-R271 PolarHBondContact N-O 2.87Å; V250-R271 PolarHBondContact O-N 2.89Å; Y252-R271 HydrophobicContact CD2-CB 3.7Å; Y252-R271 HydrophobicContact CE2-CB 3.54Å; Y252-R271 HydrophobicContact CE2-CG 4.21Å; Y252-R271 PolarHBondContact OH-NH1 2.99Å; R271-N273 PolarHBondContact O-N 2.85Å |
| 272 | A | 92.6 | Very high | 78.2 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V229 V230 L231 L235 V247 I275 | V229-A272 HydrophobicContact CG1-CB 4.05Å; V230-A272 WeakPolarHBondContact O-CB 3.39Å; V230-A272 PolarHBondContact O-N 3.21Å; L231-A272 HydrophobicContact CD2-CB 3.93Å; L235-A272 HydrophobicContact CD1-CB 4.04Å; V247-A272 HydrophobicContact CG1-CB 3.7Å; A272-I275 HydrophobicContact CB-CG1 4.36Å |
| 273 | N | 92.1 | Very high | 76.5 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -30.1 | 159.2 | -172.9 | 42.8 | 0 | 0 | 0 | 111.3 | L68 T106 R107 I108 F131 Y248 R271 | L68-N273 HydrophobicContact CD1-CB 4.34Å; L68-N273 WeakPolarHBondContact CD2-ND2 3.39Å; T106-N273 PolarHBondContact O-ND2 2.79Å; T106-N273 PolarHBondContact O-OD1 2.59Å; R107-N273 WeakPolarHBondContact CD-O 3.44Å; R107-N273 PolarHBondContact NE-O 3.25Å; R107-N273 PolarHBondContact NH1-O 2.66Å; R107-N273 PolarHBondContact NH1-OD1 3.24Å; I108-N273 PolarHBondContact N-ND2 3.12Å; F131-N273 HydrophobicContact CE2-CB 3.78Å; F131-N273 HydrophobicContact CZ-CB 4.21Å; Y248-N273 PolarHBondContact O-N 2.64Å; R271-N273 PolarHBondContact O-N 2.85Å |
| 274 | N | 91 | Very high | 75 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.2 | 175.5 | -170.5 | 31.3 | 0 | 0 | 0 | 111.7 | R107 I108 T109 Y248 | R107-N274 HydrophobicContact CB-CB 4.2Å; I108-N274 WeakPolarHBondContact O-CB 3.31Å; I108-N274 PolarHBondContact O-ND2 3.46Å; T109-N274 WeakPolarHBondContact CG2-ND2 3.19Å; Y248-N274 PolarHBondContact N-O 2.69Å; Y248-N274 PolarHBondContact O-N 3.27Å |
| 275 | I | 89.3 | Confident | 73.7 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 118.9 | 175.7 | -48.7 | 172.6 | 0 | 0 | 0 | 108.6 | L231 L235 I245 T246 A272 | L231-I275 HydrophobicContact CD1-CD1 3.74Å; L231-I275 HydrophobicContact CD2-CD1 3.51Å; L231-I275 HydrophobicContact CD2-CG1 4.41Å; L231-I275 HydrophobicContact CG-CD1 4.2Å; L235-I275 HydrophobicContact CB-CD1 4.39Å; L235-I275 HydrophobicContact CD2-CG1 4.45Å; I245-I275 HydrophobicContact CB-CG2 3.92Å; I245-I275 HydrophobicContact CD1-CG2 3.91Å; I245-I275 HydrophobicContact CG1-CG2 4.45Å; I245-I275 HydrophobicContact CG2-CG2 4.17Å; T246-I275 WeakPolarHBondContact O-CA 3.43Å; A272-I275 HydrophobicContact CB-CG1 4.36Å |
| 276 | E | 86.1 | Confident | 72.5 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.6 | 165.1 | -66.8 | 178.2 | 173 | 0 | 0 | 108.6 | T109 I245 T246 Y248 N278 | T109-E276 VanDerWaalsContact CB-OE1 3.29Å; T109-E276 WeakPolarHBondContact CB-OE1 3.33Å; T109-E276 HydrophobicContact CG2-CG 4.33Å; T109-E276 WeakPolarHBondContact CG2-OE1 3.18Å; I245-E276 CarbonylContact C-O 3.57Å; I245-E276 WeakPolarHBondContact CA-O 3.38Å; T246-E276 PolarHBondContact N-O 3.22Å; T246-E276 PolarHBondContact O-N 3.36Å; Y248-E276 HydrophobicContact CE2-CG 3.98Å; E276-N278 PolarHBondContact O-N 3.29Å |
| 277 | A | 79.1 | Confident | 71 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 93.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | N279 | A277-N279 PolarHBondContact O-N 3.15Å |
| 278 | N | 68.9 | Low | 69.7 | Low | 58 Ų | 58 | 51 Ų | 51 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | trans | -76 | 51.3 | 177.5 | -163.2 | -5.7 | 0 | 0 | 0 | 111.5 | D244 E276 Q280 A283 | D244-N278 CarbonylContact O-C 3.56Å; D244-N278 WeakPolarHBondContact O-CA 3.4Å; D244-N278 PolarHBondContact O-N 3.29Å; E276-N278 PolarHBondContact O-N 3.29Å; N278-Q280 PolarHBondContact O-N 3Å; N278-A283 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 279 | N | 61.4 | Low | 68.6 | Low | 52 Ų | 52 | 55.9 Ų | 55.9 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | trans | -60.6 | 103 | 160.6 | -81.6 | -46.6 | 0 | 0 | 0 | 106.9 | A277 Q281 A282 | A277-N279 PolarHBondContact O-N 3.15Å; N279-Q281 PolarHBondContact O-N 3.19Å; N279-A282 PolarHBondContact O-N 3.16Å | ||
| 280 | Q | 54 | Low | 67.5 | Low | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.3 | -21.4 | -164.6 | -64.9 | 149.7 | 1.9 | 0 | 0 | 114.2 | D244 N278 A282 A284 S377 | D244-Q280 PolarHBondContact OD2-NE2 2.71Å; N278-Q280 PolarHBondContact O-N 3Å; Q280-A282 VanDerWaalsContact C-N 3.27Å; Q280-A282 PolarHBondContact O-N 2.71Å; Q280-A284 WeakPolarHBondContact O-CB 3.14Å; Q280-A284 PolarHBondContact O-N 3.2Å; Q280-S377 PolarHBondContact OE1-OG 3.01Å |
| 281 | Q | 50.1 | Low | 66.7 | Low | 123 Ų | 123 | 63.1 Ų | 63.1 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.6 | -37 | 170.5 | -64.1 | 176.2 | -8.6 | 0 | 0 | 113.4 | N279 Q540 | N279-Q281 PolarHBondContact O-N 3.19Å; Q281-Q540 PolarHBondContact O-NE2 3.19Å |
| 282 | A | 44.5 | Very low | 65.9 | Low | 64 Ų | 64 | 61.8 Ų | 61.8 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -83.8 | -45.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N279 Q280 A284 A285 | N279-A282 PolarHBondContact O-N 3.16Å; Q280-A282 VanDerWaalsContact C-N 3.27Å; Q280-A282 PolarHBondContact O-N 2.71Å; A282-A284 VanDerWaalsContact C-N 3.31Å; A282-A284 PolarHBondContact O-N 3Å; A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.08Å |
| 283 | A | 41.6 | Very low | 65.3 | Low | 49 Ų | 49 | 66 Ų | 66 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N278 | N278-A283 WeakPolarHBondContact OD1-CB 3.37Å |
| 284 | A | 45.1 | Very low | 65 | Low | 24 Ų | 24 | 69.4 Ų | 69.4 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q280 A282 L286 M287 V288 | Q280-A284 WeakPolarHBondContact O-CB 3.14Å; Q280-A284 PolarHBondContact O-N 3.2Å; A282-A284 VanDerWaalsContact C-N 3.31Å; A282-A284 PolarHBondContact O-N 3Å; A284-L286 PolarHBondContact O-N 2.75Å; A284-M287 PolarHBondContact O-N 3.16Å; A284-M287 VanDerWaalsContact O-N 3.08Å; A284-V288 HydrophobicContact CB-CG2 4.21Å; A284-V288 WeakPolarHBondContact O-CB 3.36Å; A284-V288 WeakPolarHBondContact O-CG2 3.24Å; A284-V288 PolarHBondContact O-N 3.25Å |
| 285 | A | 46.2 | Very low | 64.7 | Low | 38 Ų | 38 | 68.7 Ų | 68.7 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -26.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A282 | A282-A285 WeakPolarHBondContact O-CB 3.29Å; A282-A285 PolarHBondContact O-N 3.08Å |
| 286 | L | 51 | Low | 64.5 | Low | 147 Ų | 147 | 71.6 Ų | 71.6 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -82.2 | -43.5 | 176.7 | -71.5 | 169.8 | 0 | 0 | 0 | 112.9 | A284 V288 | A284-L286 PolarHBondContact O-N 2.75Å; L286-V288 PolarHBondContact O-N 3.33Å |
| 287 | M | 51.2 | Low | 64.5 | Low | 162 Ų | 162 | 74.9 Ų | 74.9 | 80% | 0.798 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.5 | -19.4 | 175.5 | -73.4 | -73.2 | 165 | 0 | 0 | 112.9 | A284 K289 | A284-M287 PolarHBondContact O-N 3.16Å; A284-M287 VanDerWaalsContact O-N 3.08Å; M287-K289 PolarHBondContact O-N 3.31Å |
| 288 | V | 58.4 | Low | 64.8 | Low | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.8 | -16.2 | -170.6 | 149.4 | 0 | 0 | 0 | 0 | 114.1 | A284 L286 D290 V291 Q292 V537 | A284-V288 HydrophobicContact CB-CG2 4.21Å; A284-V288 WeakPolarHBondContact O-CB 3.36Å; A284-V288 WeakPolarHBondContact O-CG2 3.24Å; A284-V288 PolarHBondContact O-N 3.25Å; L286-V288 PolarHBondContact O-N 3.33Å; V288-D290 VanDerWaalsContact C-N 3.31Å; V288-D290 PolarHBondContact O-N 3.44Å; V288-D290 VanDerWaalsContact O-N 3.15Å; V288-V291 CarbonylContact O-C 3.54Å; V288-V291 PolarHBondContact O-N 3.09Å; V288-Q292 HydrophobicContact CG1-CB 4.3Å; V288-Q292 HydrophobicContact CG1-CG 3.54Å; V288-Q292 WeakPolarHBondContact O-CB 3.42Å; V288-Q292 PolarHBondContact O-N 3.23Å; V288-V537 HydrophobicContact CB-CG2 4.41Å; V288-V537 HydrophobicContact CG1-CG1 4.46Å; V288-V537 HydrophobicContact CG1-CG2 3.61Å; V288-V537 HydrophobicContact CG2-CG2 3.82Å |
| 289 | K | 63.4 | Low | 65.7 | Low | 140 Ų | 140 | 71.8 Ų | 71.8 | 61% | 0.609 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.7 | -32.7 | -172.6 | -77.4 | -170.4 | 176.2 | -178.8 | 0 | 116 | M287 K293 | M287-K289 PolarHBondContact O-N 3.31Å; K289-K293 WeakPolarHBondContact O-CE 3.36Å |
| 290 | D | 69.1 | Low | 66.9 | Low | 112 Ų | 112 | 73.4 Ų | 73.4 | 60% | 0.599 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -89 | -27.8 | 176.7 | -64.9 | -45.4 | 0 | 0 | 0 | 112 | V288 K293 E294 | V288-D290 VanDerWaalsContact C-N 3.31Å; V288-D290 PolarHBondContact O-N 3.44Å; V288-D290 VanDerWaalsContact O-N 3.15Å; D290-K293 PolarHBondContact O-N 2.92Å; D290-K293 IonicContact OD1-NZ 3.22Å; D290-K293 PolarHBondContact OD1-NZ 2.68Å; D290-E294 PolarHBondContact O-N 3.47Å |
| 291 | V | 73 | Confident | 68.3 | Low | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.5 | -29.5 | 173.3 | -160.1 | 0 | 0 | 0 | 0 | 111.6 | V288 K293 E294 F295 | V288-V291 CarbonylContact O-C 3.54Å; V288-V291 PolarHBondContact O-N 3.09Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-E294 WeakPolarHBondContact O-CB 3.42Å; V291-E294 PolarHBondContact O-N 3.15Å; V291-F295 HydrophobicContact CB-CE2 4.44Å; V291-F295 HydrophobicContact CG1-CD2 4.16Å; V291-F295 HydrophobicContact CG1-CE2 3.55Å; V291-F295 HydrophobicContact CG1-CZ 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 3.28Å; V291-F295 WeakPolarHBondContact O-CG 3.39Å; V291-F295 PolarHBondContact O-N 3.08Å |
| 292 | Q | 75.1 | Confident | 69.9 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 170.3 | -104.5 | 164.7 | -16.3 | 0 | 0 | 110.5 | V288 E294 F295 E296 V537 | V288-Q292 HydrophobicContact CG1-CB 4.3Å; V288-Q292 HydrophobicContact CG1-CG 3.54Å; V288-Q292 WeakPolarHBondContact O-CB 3.42Å; V288-Q292 PolarHBondContact O-N 3.23Å; Q292-E294 VanDerWaalsContact C-N 3.34Å; Q292-E294 PolarHBondContact O-N 3.3Å; Q292-F295 CarbonylContact O-C 3.47Å; Q292-F295 PolarHBondContact O-N 3.33Å; Q292-F295 VanDerWaalsContact O-N 3.16Å; Q292-E296 WeakPolarHBondContact O-CB 3.44Å; Q292-E296 WeakPolarHBondContact O-CG 3.49Å; Q292-E296 PolarHBondContact O-N 3.08Å; Q292-V537 HydrophobicContact CG-CG1 4.05Å |
| 293 | K | 81.4 | Confident | 71.4 | Confident | 100 Ų | 100 | 76 Ų | 76 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 174.7 | -60.4 | 167.1 | -165.6 | 162.6 | 0 | 111.4 | K289 D290 V291 F295 E296 E297 | K289-K293 WeakPolarHBondContact O-CE 3.36Å; D290-K293 PolarHBondContact O-N 2.92Å; D290-K293 IonicContact OD1-NZ 3.22Å; D290-K293 PolarHBondContact OD1-NZ 2.68Å; V291-K293 VanDerWaalsContact C-N 3.34Å; K293-F295 VanDerWaalsContact C-N 3.29Å; K293-F295 PolarHBondContact O-N 3.38Å; K293-E296 PolarHBondContact O-N 3.33Å; K293-E297 VanDerWaalsContact O-CB 3.3Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 VanDerWaalsContact O-CG 3.28Å; K293-E297 WeakPolarHBondContact O-CG 3.24Å; K293-E297 PolarHBondContact O-N 3.36Å |
| 294 | E | 84.1 | Confident | 72.8 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 175.6 | -161.9 | -160.7 | 149.3 | 0 | 0 | 112.3 | D290 V291 Q292 F298 K530 | D290-E294 PolarHBondContact O-N 3.47Å; V291-E294 WeakPolarHBondContact O-CB 3.42Å; V291-E294 PolarHBondContact O-N 3.15Å; Q292-E294 VanDerWaalsContact C-N 3.34Å; Q292-E294 PolarHBondContact O-N 3.3Å; E294-F298 WeakPolarHBondContact O-CB 3.35Å; E294-F298 PolarHBondContact O-N 3.39Å; E294-F298 VanDerWaalsContact O-N 3.08Å; E294-K530 VanDerWaalsContact OE1-CE 3.31Å; E294-K530 WeakPolarHBondContact OE1-CE 3.27Å; E294-K530 IonicContact OE1-NZ 2.64Å; E294-K530 PolarHBondContact OE1-NZ 2.9Å |
| 295 | F | 85.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -75.3 | -35.2 | 174.8 | -64.5 | -48.9 | 0 | 0 | 0 | 113.1 | V291 Q292 K293 F298 W299 W526 K530 Y534 V537 | V291-F295 HydrophobicContact CB-CE2 4.44Å; V291-F295 HydrophobicContact CG1-CD2 4.16Å; V291-F295 HydrophobicContact CG1-CE2 3.55Å; V291-F295 HydrophobicContact CG1-CZ 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 3.28Å; V291-F295 WeakPolarHBondContact O-CG 3.39Å; V291-F295 PolarHBondContact O-N 3.08Å; Q292-F295 CarbonylContact O-C 3.47Å; Q292-F295 PolarHBondContact O-N 3.33Å; Q292-F295 VanDerWaalsContact O-N 3.16Å; K293-F295 VanDerWaalsContact C-N 3.29Å; K293-F295 PolarHBondContact O-N 3.38Å; F295-F298 PolarHBondContact O-N 3Å; F295-W299 VanDerWaalsContact O-CD1 3.22Å; F295-W299 PolarHBondContact O-N 2.98Å; F295-W526 HydrophobicContact CD1-CH2 4.09Å; F295-W526 HydrophobicContact CD1-CZ3 4.37Å; F295-W526 HydrophobicContact CE1-CH2 4.08Å; F295-W526 AromaticContact CE1-CZ3 3.91Å; F295-W526 HydrophobicContact CE1-CZ3 3.91Å; F295-K530 HydrophobicContact CE1-CD 4.35Å; F295-K530 HydrophobicContact CE1-CG 3.78Å; F295-K530 HydrophobicContact CZ-CG 4.14Å; F295-Y534 HydrophobicContact CB-CD2 4.49Å; F295-Y534 HydrophobicContact CB-CE2 4.49Å; F295-Y534 AromaticContact CD1-CD2 3.54Å; F295-Y534 HydrophobicContact CD1-CD2 3.54Å; F295-Y534 HydrophobicContact CD1-CE2 4.14Å; F295-Y534 HydrophobicContact CD1-CG 4.46Å; F295-Y534 HydrophobicContact CD2-CD2 4.03Å; F295-Y534 AromaticContact CE1-CD2 3.6Å; F295-Y534 HydrophobicContact CE1-CD2 3.6Å; F295-Y534 HydrophobicContact CE1-CG 4.11Å; F295-Y534 HydrophobicContact CE2-CD2 4.08Å; F295-Y534 AromaticContact CG-CD2 3.78Å; F295-Y534 HydrophobicContact CG-CD2 3.78Å; F295-Y534 HydrophobicContact CG-CE2 4.24Å; F295-Y534 AromaticContact CZ-CD2 3.89Å; F295-Y534 HydrophobicContact CZ-CD2 3.89Å; F295-Y534 HydrophobicContact CZ-CG 4.26Å; F295-V537 HydrophobicContact CD2-CG2 4.44Å; F295-V537 HydrophobicContact CE2-CG2 4.21Å |
| 296 | E | 84.6 | Confident | 76 | Confident | 84 Ų | 84 | 79.8 Ų | 79.8 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | 174.3 | -76.4 | 162.6 | -160.2 | 0 | 0 | 110.6 | Q292 K293 F298 W299 D300 Y591 | Q292-E296 WeakPolarHBondContact O-CB 3.44Å; Q292-E296 WeakPolarHBondContact O-CG 3.49Å; Q292-E296 PolarHBondContact O-N 3.08Å; K293-E296 PolarHBondContact O-N 3.33Å; E296-F298 VanDerWaalsContact C-N 3.31Å; E296-F298 PolarHBondContact O-N 3.17Å; E296-W299 PolarHBondContact O-N 3.03Å; E296-D300 VanDerWaalsContact O-CB 3.27Å; E296-D300 WeakPolarHBondContact O-CB 3.23Å; E296-D300 PolarHBondContact O-N 3.32Å; E296-Y591 HydrophobicContact CG-CE1 3.65Å; E296-Y591 PolarHBondContact OE1-OH 2.86Å |
| 297 | E | 86 | Confident | 77.5 | Confident | 139 Ų | 139 | 72.8 Ų | 72.8 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.7 | -40 | 173.1 | -73.4 | 173.6 | -163.3 | 0 | 0 | 112.1 | K293 D300 S301 | K293-E297 VanDerWaalsContact O-CB 3.3Å; K293-E297 WeakPolarHBondContact O-CB 3.39Å; K293-E297 VanDerWaalsContact O-CG 3.28Å; K293-E297 WeakPolarHBondContact O-CG 3.24Å; K293-E297 PolarHBondContact O-N 3.36Å; E297-D300 PolarHBondContact O-N 2.78Å; E297-S301 PolarHBondContact O-N 2.94Å |
| 298 | F | 86.9 | Confident | 79 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -54.5 | 172.2 | 174.7 | -93.1 | 0 | 0 | 0 | 111.5 | E294 F295 E296 D300 S301 Y302 E312 I313 W526 | E294-F298 WeakPolarHBondContact O-CB 3.35Å; E294-F298 PolarHBondContact O-N 3.39Å; E294-F298 VanDerWaalsContact O-N 3.08Å; F295-F298 PolarHBondContact O-N 3Å; E296-F298 VanDerWaalsContact C-N 3.31Å; E296-F298 PolarHBondContact O-N 3.17Å; F298-D300 VanDerWaalsContact C-N 3.29Å; F298-D300 PolarHBondContact O-N 3.2Å; F298-S301 PolarHBondContact O-N 3.31Å; F298-S301 VanDerWaalsContact O-N 3.17Å; F298-S301 PolarHBondContact O-OG 3.2Å; F298-Y302 HydrophobicContact CD1-CD2 4.41Å; F298-Y302 HydrophobicContact CD2-CD2 4.18Å; F298-Y302 HydrophobicContact CD2-CE2 4.04Å; F298-Y302 HydrophobicContact CE1-CD2 4.02Å; F298-Y302 HydrophobicContact CE1-CE2 4.47Å; F298-Y302 AromaticContact CE2-CD2 3.78Å; F298-Y302 HydrophobicContact CE2-CD2 3.78Å; F298-Y302 AromaticContact CE2-CE2 3.44Å; F298-Y302 HydrophobicContact CE2-CE2 3.44Å; F298-Y302 VanDerWaalsContact CE2-CE2 3.44Å; F298-Y302 HydrophobicContact CG-CD2 4.48Å; F298-Y302 AromaticContact CZ-CD2 3.68Å; F298-Y302 HydrophobicContact CZ-CD2 3.68Å; F298-Y302 AromaticContact CZ-CE2 3.69Å; F298-Y302 HydrophobicContact CZ-CE2 3.69Å; F298-Y302 WeakPolarHBondContact O-CD2 3.35Å; F298-Y302 PolarHBondContact O-N 3.19Å; F298-E312 WeakPolarHBondContact CE2-OE1 3.49Å; F298-I313 HydrophobicContact CE1-CD1 4.26Å; F298-W526 HydrophobicContact CD1-CH2 4.36Å; F298-W526 AromaticContact CD1-CZ2 3.88Å; F298-W526 HydrophobicContact CD1-CZ2 3.88Å; F298-W526 HydrophobicContact CD2-CZ2 4.02Å; F298-W526 HydrophobicContact CE1-CH2 4.29Å; F298-W526 AromaticContact CE1-CZ2 3.68Å; F298-W526 HydrophobicContact CE1-CZ2 3.68Å; F298-W526 AromaticContact CE2-CZ2 3.81Å; F298-W526 HydrophobicContact CE2-CZ2 3.81Å; F298-W526 AromaticContact CE2-NE1 3.98Å; F298-W526 HydrophobicContact CG-CZ2 4.05Å; F298-W526 AromaticContact CZ-CZ2 3.64Å; F298-W526 HydrophobicContact CZ-CZ2 3.64Å |
| 299 | W | 87.1 | Confident | 80.2 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -29.6 | -179.5 | -77.9 | 113.8 | 0 | 0 | 0 | 113 | F295 E296 Y302 K303 I313 Y534 L589 M590 Y591 | F295-W299 VanDerWaalsContact O-CD1 3.22Å; F295-W299 PolarHBondContact O-N 2.98Å; E296-W299 PolarHBondContact O-N 3.03Å; W299-Y302 CarbonylContact O-C 3.54Å; W299-Y302 PolarHBondContact O-N 3Å; W299-K303 PolarHBondContact O-N 2.89Å; W299-I313 HydrophobicContact CH2-CD1 4.25Å; W299-I313 HydrophobicContact CZ2-CD1 3.63Å; W299-Y534 WeakPolarHBondContact CZ2-OH 3.32Å; W299-Y534 AromaticContact NE1-CE2 3.81Å; W299-Y534 AromaticContact NE1-CZ 3.73Å; W299-Y534 PolarHBondContact NE1-OH 2.95Å; W299-L589 WeakPolarHBondContact CZ2-O 3.46Å; W299-M590 HydrophobicContact CH2-CE 3.99Å; W299-M590 HydrophobicContact CH2-SD 3.97Å; W299-M590 HydrophobicContact CZ3-CE 3.94Å; W299-Y591 VanDerWaalsContact CD1-CB 3.48Å; W299-Y591 AromaticContact CD1-CG 3.97Å |
| 300 | D | 85.6 | Confident | 81.4 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 170.6 | -98.1 | 50.7 | 0 | 0 | 0 | 111.9 | E296 E297 F298 Y302 K303 | E296-D300 VanDerWaalsContact O-CB 3.27Å; E296-D300 WeakPolarHBondContact O-CB 3.23Å; E296-D300 PolarHBondContact O-N 3.32Å; E297-D300 PolarHBondContact O-N 2.78Å; F298-D300 VanDerWaalsContact C-N 3.29Å; F298-D300 PolarHBondContact O-N 3.2Å; D300-Y302 VanDerWaalsContact C-N 3.25Å; D300-Y302 PolarHBondContact O-N 3.02Å; D300-K303 HydrophobicContact CB-CD 4.47Å; D300-K303 VanDerWaalsContact CG-CE 3.44Å; D300-K303 WeakPolarHBondContact O-CB 3.43Å; D300-K303 PolarHBondContact O-N 3.39Å; D300-K303 WeakPolarHBondContact OD1-CE 3.47Å; D300-K303 IonicContact OD1-NZ 2.84Å; D300-K303 PolarHBondContact OD1-NZ 3.42Å; D300-K303 IonicContact OD2-NZ 3.2Å; D300-K303 PolarHBondContact OD2-NZ 2.91Å |
| 301 | S | 85.3 | Confident | 82.3 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.7 | -31.3 | 174.7 | 79 | 0 | 0 | 0 | 0 | 112.8 | E297 F298 | E297-S301 PolarHBondContact O-N 2.94Å; F298-S301 PolarHBondContact O-N 3.31Å; F298-S301 VanDerWaalsContact O-N 3.17Å; F298-S301 PolarHBondContact O-OG 3.2Å |
| 302 | Y | 82.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.6 | 178.3 | -74.9 | -73.7 | 0 | 0 | 0 | 114.8 | F298 W299 D300 Q304 N305 P306 A308 E312 | F298-Y302 HydrophobicContact CD1-CD2 4.41Å; F298-Y302 HydrophobicContact CD2-CD2 4.18Å; F298-Y302 HydrophobicContact CD2-CE2 4.04Å; F298-Y302 HydrophobicContact CE1-CD2 4.02Å; F298-Y302 HydrophobicContact CE1-CE2 4.47Å; F298-Y302 AromaticContact CE2-CD2 3.78Å; F298-Y302 HydrophobicContact CE2-CD2 3.78Å; F298-Y302 AromaticContact CE2-CE2 3.44Å; F298-Y302 HydrophobicContact CE2-CE2 3.44Å; F298-Y302 VanDerWaalsContact CE2-CE2 3.44Å; F298-Y302 HydrophobicContact CG-CD2 4.48Å; F298-Y302 AromaticContact CZ-CD2 3.68Å; F298-Y302 HydrophobicContact CZ-CD2 3.68Å; F298-Y302 AromaticContact CZ-CE2 3.69Å; F298-Y302 HydrophobicContact CZ-CE2 3.69Å; F298-Y302 WeakPolarHBondContact O-CD2 3.35Å; F298-Y302 PolarHBondContact O-N 3.19Å; W299-Y302 CarbonylContact O-C 3.54Å; W299-Y302 PolarHBondContact O-N 3Å; D300-Y302 VanDerWaalsContact C-N 3.25Å; D300-Y302 PolarHBondContact O-N 3.02Å; Y302-Q304 PolarHBondContact O-N 3.46Å; Y302-Q304 VanDerWaalsContact O-N 3.07Å; Y302-N305 CarbonylContact O-C 3.19Å; Y302-N305 PolarHBondContact O-N 3.28Å; Y302-P306 VanDerWaalsContact O-N 3.17Å; Y302-A308 HydrophobicContact CD1-CB 4.12Å; Y302-A308 HydrophobicContact CE1-CB 4.13Å; Y302-E312 PolarHBondContact OH-OE2 2.91Å |
| 303 | K | 77.3 | Confident | 83.6 | Confident | 135 Ų | 135 | 53.6 Ų | 53.6 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -52.1 | -34.2 | -177 | -93.2 | 172.3 | -179.5 | 168.4 | 0 | 115.2 | W299 D300 | W299-K303 PolarHBondContact O-N 2.89Å; D300-K303 HydrophobicContact CB-CD 4.47Å; D300-K303 VanDerWaalsContact CG-CE 3.44Å; D300-K303 WeakPolarHBondContact O-CB 3.43Å; D300-K303 PolarHBondContact O-N 3.39Å; D300-K303 WeakPolarHBondContact OD1-CE 3.47Å; D300-K303 IonicContact OD1-NZ 2.84Å; D300-K303 PolarHBondContact OD1-NZ 3.42Å; D300-K303 IonicContact OD2-NZ 3.2Å; D300-K303 PolarHBondContact OD2-NZ 2.91Å |
| 304 | Q | 69.9 | Low | 83.9 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -76.9 | -37.9 | 177.8 | -62.6 | -172.3 | 2.9 | 0 | 0 | 112.4 | Y302 P306 | Y302-Q304 PolarHBondContact O-N 3.46Å; Y302-Q304 VanDerWaalsContact O-N 3.07Å; Q304-P306 VanDerWaalsContact C-CD 3.48Å; Q304-P306 WeakPolarHBondContact O-CD 3.39Å |
| 305 | N | 78.4 | Confident | 84 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | trans | -127 | 63.5 | -171.4 | -66.4 | -15.2 | 0 | 0 | 0 | 110.9 | Y302 L307 A308 L632 | Y302-N305 CarbonylContact O-C 3.19Å; Y302-N305 PolarHBondContact O-N 3.28Å; N305-L307 PolarHBondContact O-N 3.09Å; N305-L307 VanDerWaalsContact O-N 3.15Å; N305-A308 HydrophobicContact CB-CB 4.22Å; N305-A308 WeakPolarHBondContact O-CB 3.46Å; N305-A308 PolarHBondContact O-N 3.32Å; N305-L632 HydrophobicContact CB-CD1 4.33Å; N305-L632 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 306 | P | 81.2 | Confident | 84 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -32.1 | -170.6 | 24.1 | -35.1 | 0 | 0 | 0 | 112.9 | Y302 Q304 A308 G309 R310 M590 | Y302-P306 VanDerWaalsContact O-N 3.17Å; Q304-P306 VanDerWaalsContact C-CD 3.48Å; Q304-P306 WeakPolarHBondContact O-CD 3.39Å; P306-A308 PolarHBondContact O-N 3.02Å; P306-G309 PolarHBondContact O-N 3.12Å; P306-R310 PolarHBondContact O-N 3Å; P306-M590 HydrophobicContact CB-CE 3.68Å; P306-M590 WeakPolarHBondContact O-CE 3.47Å |
| 307 | L | 82.2 | Confident | 84.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -21.9 | 176.4 | -57.8 | 177.9 | 0 | 0 | 0 | 113.6 | N305 N311 P631 L632 Y635 | N305-L307 PolarHBondContact O-N 3.09Å; N305-L307 VanDerWaalsContact O-N 3.15Å; L307-N311 PolarHBondContact O-N 3.32Å; L307-N311 PolarHBondContact O-OD1 3.08Å; L307-P631 HydrophobicContact CB-CB 3.82Å; L307-L632 HydrophobicContact CD1-CD2 4.35Å; L307-Y635 VanDerWaalsContact CD1-CB 3.48Å; L307-Y635 HydrophobicContact CD1-CD1 4.14Å; L307-Y635 HydrophobicContact CD1-CD2 4.25Å; L307-Y635 HydrophobicContact CD1-CG 3.69Å |
| 308 | A | 82.1 | Confident | 84 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 28% | 0.281 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.4 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y302 N305 P306 R310 N311 E312 | Y302-A308 HydrophobicContact CD1-CB 4.12Å; Y302-A308 HydrophobicContact CE1-CB 4.13Å; N305-A308 HydrophobicContact CB-CB 4.22Å; N305-A308 WeakPolarHBondContact O-CB 3.46Å; N305-A308 PolarHBondContact O-N 3.32Å; P306-A308 PolarHBondContact O-N 3.02Å; A308-R310 VanDerWaalsContact C-N 3.3Å; A308-R310 PolarHBondContact O-N 2.92Å; A308-N311 WeakPolarHBondContact O-CA 3.31Å; A308-N311 PolarHBondContact O-N 3.46Å; A308-E312 PolarHBondContact O-N 2.69Å |
| 309 | G | 83.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P306 N311 E312 I313 | P306-G309 PolarHBondContact O-N 3.12Å; G309-N311 VanDerWaalsContact C-N 3.31Å; G309-N311 PolarHBondContact O-N 2.86Å; G309-E312 PolarHBondContact O-N 3.15Å; G309-I313 WeakPolarHBondContact O-CG1 3.13Å; G309-I313 PolarHBondContact O-N 3.05Å |
| 310 | R | 88.3 | Confident | 83.4 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.4 | -48 | 168.5 | -172.2 | -177.7 | 72.6 | -173.5 | 0.6 | 111.8 | P306 A308 I313 L314 Y325 H586 M590 T602 | P306-R310 PolarHBondContact O-N 3Å; A308-R310 VanDerWaalsContact C-N 3.3Å; A308-R310 PolarHBondContact O-N 2.92Å; R310-I313 PolarHBondContact O-N 3.26Å; R310-L314 HydrophobicContact CG-CD1 4.1Å; R310-L314 VanDerWaalsContact O-CG 3.3Å; R310-L314 WeakPolarHBondContact O-CG 3.32Å; R310-L314 PolarHBondContact O-N 3.42Å; R310-Y325 PolarHBondContact NH2-OH 2.93Å; R310-H586 WeakPolarHBondContact CD-NE2 3.39Å; R310-H586 PolarHBondContact NH1-CE1 3.35Å; R310-H586 PolarHBondContact NH1-NE2 3.46Å; R310-M590 HydrophobicContact CB-CE 4.15Å; R310-M590 HydrophobicContact CB-SD 3.67Å; R310-M590 HydrophobicContact CG-SD 3.76Å; R310-T602 PolarHBondContact NH1-OG1 2.92Å; R310-T602 VanDerWaalsContact NH1-OG1 3.17Å |
| 311 | N | 87.6 | Confident | 83.2 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -30.5 | -175.5 | -73.9 | 1.9 | 0 | 0 | 0 | 112.7 | L307 A308 G309 L314 L315 Y325 P631 | L307-N311 PolarHBondContact O-N 3.32Å; L307-N311 PolarHBondContact O-OD1 3.08Å; A308-N311 WeakPolarHBondContact O-CA 3.31Å; A308-N311 PolarHBondContact O-N 3.46Å; G309-N311 VanDerWaalsContact C-N 3.31Å; G309-N311 PolarHBondContact O-N 2.86Å; N311-L314 PolarHBondContact O-N 3.1Å; N311-L315 VanDerWaalsContact O-CG 3.3Å; N311-L315 WeakPolarHBondContact O-CG 3.4Å; N311-L315 PolarHBondContact O-N 3.03Å; N311-Y325 WeakPolarHBondContact OD1-CE2 3.17Å; N311-Y325 PolarHBondContact OD1-OH 3.42Å; N311-P631 WeakPolarHBondContact ND2-CG 3.37Å |
| 312 | E | 86.5 | Confident | 83 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 169.8 | -171.8 | -171.1 | 127.5 | 0 | 0 | 111.5 | F298 Y302 A308 G309 L314 L315 S316 W526 | F298-E312 WeakPolarHBondContact CE2-OE1 3.49Å; Y302-E312 PolarHBondContact OH-OE2 2.91Å; A308-E312 PolarHBondContact O-N 2.69Å; G309-E312 PolarHBondContact O-N 3.15Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 3.29Å; E312-L315 WeakPolarHBondContact O-CB 3.43Å; E312-L315 PolarHBondContact O-N 3.22Å; E312-L315 VanDerWaalsContact O-N 3.09Å; E312-S316 PolarHBondContact O-N 2.75Å; E312-W526 PolarHBondContact OE1-NE1 3.18Å |
| 313 | I | 88.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 175.7 | -62.2 | 168.9 | 0 | 0 | 0 | 110 | F298 W299 G309 R310 L315 S316 L317 W526 Y534 | F298-I313 HydrophobicContact CE1-CD1 4.26Å; W299-I313 HydrophobicContact CH2-CD1 4.25Å; W299-I313 HydrophobicContact CZ2-CD1 3.63Å; G309-I313 WeakPolarHBondContact O-CG1 3.13Å; G309-I313 PolarHBondContact O-N 3.05Å; R310-I313 PolarHBondContact O-N 3.26Å; I313-L315 PolarHBondContact O-N 2.75Å; I313-S316 PolarHBondContact O-N 2.95Å; I313-S316 PolarHBondContact O-OG 3.13Å; I313-L317 PolarHBondContact O-N 2.75Å; I313-L317 VanDerWaalsContact O-N 3.16Å; I313-W526 HydrophobicContact CD1-CH2 3.72Å; I313-W526 HydrophobicContact CD1-CZ2 4.1Å; I313-W526 HydrophobicContact CD1-CZ3 4.25Å; I313-W526 HydrophobicContact CG1-CD2 4.47Å; I313-W526 HydrophobicContact CG1-CE3 4.41Å; I313-W526 HydrophobicContact CG1-CH2 3.71Å; I313-W526 HydrophobicContact CG1-CZ2 3.75Å; I313-W526 HydrophobicContact CG1-CZ3 4.04Å; I313-Y534 HydrophobicContact CD1-CE1 4.03Å |
| 314 | L | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -28.5 | 177.1 | -65.1 | 175 | 0 | 0 | 0 | 114.2 | R310 N311 E312 L317 Y325 K328 L329 A332 F627 | R310-L314 HydrophobicContact CG-CD1 4.1Å; R310-L314 VanDerWaalsContact O-CG 3.3Å; R310-L314 WeakPolarHBondContact O-CG 3.32Å; R310-L314 PolarHBondContact O-N 3.42Å; N311-L314 PolarHBondContact O-N 3.1Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 3.29Å; L314-L317 PolarHBondContact O-N 3.27Å; L314-Y325 HydrophobicContact CD1-CD2 4.41Å; L314-Y325 HydrophobicContact CD1-CE2 3.66Å; L314-K328 HydrophobicContact CD2-CB 4.41Å; L314-K328 WeakPolarHBondContact O-CD 3.1Å; L314-L329 HydrophobicContact CD1-CB 4.09Å; L314-L329 HydrophobicContact CD1-CD1 4.1Å; L314-L329 HydrophobicContact CD2-CB 4.41Å; L314-A332 HydrophobicContact CD2-CB 3.62Å; L314-F627 HydrophobicContact CB-CE1 3.93Å; L314-F627 HydrophobicContact CB-CZ 4.39Å |
| 315 | L | 85.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 28.9 Ų | 28.9 | 44% | 0.44 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 172 | -76 | 166.2 | 0 | 0 | 0 | 111.1 | N311 E312 I313 L317 L525 F627 | N311-L315 VanDerWaalsContact O-CG 3.3Å; N311-L315 WeakPolarHBondContact O-CG 3.4Å; N311-L315 PolarHBondContact O-N 3.03Å; E312-L315 WeakPolarHBondContact O-CB 3.43Å; E312-L315 PolarHBondContact O-N 3.22Å; E312-L315 VanDerWaalsContact O-N 3.09Å; I313-L315 PolarHBondContact O-N 2.75Å; L315-L317 PolarHBondContact O-N 2.9Å; L315-L525 HydrophobicContact CB-CD2 4.25Å; L315-F627 HydrophobicContact CB-CE1 4.47Å; L315-F627 HydrophobicContact CD2-CD1 3.76Å; L315-F627 HydrophobicContact CD2-CD2 4.07Å; L315-F627 HydrophobicContact CD2-CE1 3.59Å; L315-F627 HydrophobicContact CD2-CE2 3.92Å; L315-F627 HydrophobicContact CD2-CG 4Å; L315-F627 HydrophobicContact CD2-CZ 3.68Å; L315-F627 HydrophobicContact CG-CD1 3.91Å; L315-F627 HydrophobicContact CG-CE1 3.59Å; L315-F627 HydrophobicContact CG-CZ 4.06Å |
| 316 | S | 87.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -22 | 174.3 | 78.1 | 0 | 0 | 0 | 0 | 113.6 | E312 I313 P319 Y371 M531 | E312-S316 PolarHBondContact O-N 2.75Å; I313-S316 PolarHBondContact O-N 2.95Å; I313-S316 PolarHBondContact O-OG 3.13Å; S316-P319 WeakPolarHBondContact O-CD 3.5Å; S316-Y371 PolarHBondContact O-OH 3.09Å; S316-M531 WeakPolarHBondContact OG-CE 3.19Å |
| 317 | L | 85.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -79 | 123.7 | 178.1 | -166 | 154.3 | 0 | 0 | 0 | 111.2 | I313 L314 L315 K328 V331 A332 Y371 M531 | I313-L317 PolarHBondContact O-N 2.75Å; I313-L317 VanDerWaalsContact O-N 3.16Å; L314-L317 PolarHBondContact O-N 3.27Å; L315-L317 PolarHBondContact O-N 2.9Å; L317-K328 HydrophobicContact CD2-CB 4.19Å; L317-K328 HydrophobicContact CD2-CG 4.13Å; L317-K328 WeakPolarHBondContact O-CD 3.29Å; L317-K328 WeakPolarHBondContact O-CE 3.03Å; L317-K328 PolarHBondContact O-NZ 2.8Å; L317-V331 HydrophobicContact CD2-CG1 4.36Å; L317-A332 HydrophobicContact CD1-CB 3.88Å; L317-Y371 HydrophobicContact CG-CE1 4Å; L317-M531 HydrophobicContact CB-CE 4.32Å |
| 318 | C | 83.7 | Confident | 85.1 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 46.5 | 65.3 | -174.1 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | Q320 V321 K328 F368 Y371 | C318-Q320 PolarHBondContact O-N 3.05Å; C318-Q320 VanDerWaalsContact O-N 3.14Å; C318-V321 HydrophobicContact CB-CB 4.48Å; C318-V321 PolarHBondContact O-N 3.33Å; C318-K328 PolarHBondContact O-NZ 2.82Å; C318-F368 HydrophobicContact CB-CD1 4.24Å; C318-F368 HydrophobicContact CB-CE1 3.93Å; C318-F368 WeakPolarHBondContact SG-CD1 3.4Å; C318-Y371 VanDerWaalsContact N-CZ 3.32Å; C318-Y371 VanDerWaalsContact SG-CB 3.52Å; C318-Y371 VanDerWaalsContact SG-CD1 3.54Å |
| 319 | P | 81.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 24.5 Ų | 24.5 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -16.4 | -179.5 | 29.6 | -34.6 | 0 | 0 | 0 | 112.5 | S316 V321 F511 P519 L525 | S316-P319 WeakPolarHBondContact O-CD 3.5Å; P319-V321 PolarHBondContact O-N 2.96Å; P319-F511 WeakPolarHBondContact O-CZ 3.48Å; P319-P519 HydrophobicContact CB-CG 4.37Å; P319-P519 HydrophobicContact CG-CG 4.29Å; P319-L525 HydrophobicContact CB-CD1 4.47Å |
| 320 | Q | 79.7 | Confident | 85.9 | Confident | 144 Ų | 144 | 24.5 Ų | 24.5 | 67% | 0.673 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.8 | 172.7 | -62.7 | -179.7 | -11.8 | 0 | 0 | 114 | C318 | C318-Q320 PolarHBondContact O-N 3.05Å; C318-Q320 VanDerWaalsContact O-N 3.14Å |
| 321 | V | 82.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 24 Ų | 24 | 11% | 0.109 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -124.9 | 117.3 | -179.8 | -174.7 | 0 | 0 | 0 | 0 | 109 | C318 P319 M324 K328 F368 | C318-V321 HydrophobicContact CB-CB 4.48Å; C318-V321 PolarHBondContact O-N 3.33Å; P319-V321 PolarHBondContact O-N 2.96Å; V321-M324 HydrophobicContact CG1-CE 3.76Å; V321-M324 HydrophobicContact CG1-CG 4.23Å; V321-M324 HydrophobicContact CG1-SD 3.7Å; V321-K328 VanDerWaalsContact O-CE 3.25Å; V321-K328 WeakPolarHBondContact O-CE 3.47Å; V321-K328 PolarHBondContact O-NZ 2.61Å; V321-F368 HydrophobicContact CB-CE2 4.44Å; V321-F368 HydrophobicContact CB-CZ 4.11Å; V321-F368 HydrophobicContact CG1-CE2 4Å; V321-F368 HydrophobicContact CG1-CZ 3.82Å; V321-F368 HydrophobicContact CG2-CE2 4.24Å; V321-F368 HydrophobicContact CG2-CZ 4.3Å |
| 322 | F | 80.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 23.4 Ų | 23.4 | 36% | 0.364 | 12% | 0.118 | S | C | . | . | trans | -74.4 | 151 | 176.7 | -174.2 | -95.2 | 0 | 0 | 0 | 112 | W504 I507 F511 | F322-W504 HydrophobicContact CD1-CZ3 4.42Å; F322-W504 HydrophobicContact CE1-CZ3 4.3Å; F322-I507 HydrophobicContact CD1-CG2 3.98Å; F322-I507 HydrophobicContact CE1-CG2 3.4Å; F322-I507 HydrophobicContact CZ-CG2 3.74Å; F322-F511 HydrophobicContact CB-CD1 3.82Å; F322-F511 HydrophobicContact CB-CD2 4.11Å; F322-F511 HydrophobicContact CB-CE1 4.02Å; F322-F511 HydrophobicContact CB-CE2 4.29Å; F322-F511 HydrophobicContact CB-CG 3.87Å; F322-F511 HydrophobicContact CB-CZ 4.25Å; F322-F511 AromaticContact CD2-CD2 3.83Å; F322-F511 HydrophobicContact CD2-CD2 3.83Å; F322-F511 HydrophobicContact CD2-CE2 4.16Å; F322-F511 HydrophobicContact CD2-CG 4.27Å; F322-F511 HydrophobicContact CG-CD2 4.3Å; F322-F511 HydrophobicContact CG-CG 4.3Å | ||
| 323 | G | 78.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | trans | 60.2 | -134.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y325 K328 T625 | G323-Y325 VanDerWaalsContact C-N 3.29Å; G323-Y325 PolarHBondContact O-N 3.38Å; G323-K328 WeakPolarHBondContact O-CE 3.44Å; G323-T625 CarbonylContact C-O 3.45Å | ||
| 324 | M | 81.8 | Confident | 86.9 | Confident | 27 Ų | 27 | 21.4 Ų | 21.4 | 13% | 0.133 | 11% | 0.109 | C | C | . | . | trans | 57 | 36.5 | 177 | -61.4 | -160.9 | -162.9 | 0 | 0 | 114.1 | V321 V326 I327 K328 F368 L623 T625 | V321-M324 HydrophobicContact CG1-CE 3.76Å; V321-M324 HydrophobicContact CG1-CG 4.23Å; V321-M324 HydrophobicContact CG1-SD 3.7Å; M324-V326 PolarHBondContact O-N 2.95Å; M324-I327 HydrophobicContact CB-CB 4.27Å; M324-I327 HydrophobicContact CB-CD1 3.83Å; M324-I327 HydrophobicContact CG-CD1 3.97Å; M324-I327 WeakPolarHBondContact O-CB 3.29Å; M324-I327 PolarHBondContact O-N 2.86Å; M324-I327 HydrophobicContact SD-CD1 3.93Å; M324-K328 PolarHBondContact O-N 2.78Å; M324-F368 HydrophobicContact CB-CZ 4.34Å; M324-F368 HydrophobicContact SD-CE2 3.73Å; M324-F368 HydrophobicContact SD-CZ 3.84Å; M324-L623 HydrophobicContact CE-CD2 3.64Å; M324-L623 HydrophobicContact CG-CD2 4.36Å; M324-L623 HydrophobicContact SD-CD2 3.83Å; M324-T625 PolarHBondContact N-O 3.1Å; M324-T625 VanDerWaalsContact N-O 3.09Å | ||
| 325 | Y | 86.1 | Confident | 87.1 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -50.6 | -50.9 | -172.9 | -179.6 | -105.1 | 0 | 0 | 0 | 113.7 | R310 N311 L314 G323 I327 K328 L329 T625 T626 F627 | R310-Y325 PolarHBondContact NH2-OH 2.93Å; N311-Y325 WeakPolarHBondContact OD1-CE2 3.17Å; N311-Y325 PolarHBondContact OD1-OH 3.42Å; L314-Y325 HydrophobicContact CD1-CD2 4.41Å; L314-Y325 HydrophobicContact CD1-CE2 3.66Å; G323-Y325 VanDerWaalsContact C-N 3.29Å; G323-Y325 PolarHBondContact O-N 3.38Å; Y325-I327 VanDerWaalsContact C-N 3.27Å; Y325-I327 PolarHBondContact O-N 2.83Å; Y325-K328 PolarHBondContact O-N 3.03Å; Y325-L329 HydrophobicContact CE1-CD2 4.31Å; Y325-L329 WeakPolarHBondContact O-CB 3.26Å; Y325-L329 PolarHBondContact O-N 2.89Å; Y325-T625 PolarHBondContact N-O 2.84Å; Y325-T625 PolarHBondContact N-OG1 3.4Å; Y325-T625 VanDerWaalsContact N-OG1 3.08Å; Y325-T626 WeakPolarHBondContact CB-O 3.24Å; Y325-F627 AromaticContact CD2-CD1 3.53Å; Y325-F627 HydrophobicContact CD2-CD1 3.53Å; Y325-F627 HydrophobicContact CD2-CD2 4.37Å; Y325-F627 AromaticContact CD2-CE1 3.65Å; Y325-F627 HydrophobicContact CD2-CE1 3.65Å; Y325-F627 HydrophobicContact CD2-CE2 4.46Å; Y325-F627 AromaticContact CD2-CG 3.92Å; Y325-F627 HydrophobicContact CD2-CG 3.92Å; Y325-F627 HydrophobicContact CD2-CZ 4.13Å; Y325-F627 AromaticContact CE2-CD1 3.87Å; Y325-F627 HydrophobicContact CE2-CD1 3.87Å; Y325-F627 HydrophobicContact CE2-CE1 4.03Å |
| 326 | V | 87.5 | Confident | 87.4 | Confident | 16 Ų | 16 | 17.4 Ų | 17.4 | 10% | 0.097 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.3 | -33.1 | -178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | M324 A330 C609 T625 | M324-V326 PolarHBondContact O-N 2.95Å; V326-A330 VanDerWaalsContact O-CB 3.27Å; V326-A330 WeakPolarHBondContact O-CB 3.35Å; V326-A330 PolarHBondContact O-N 3.06Å; V326-C609 HydrophobicContact CG1-CB 3.86Å; V326-T625 HydrophobicContact CB-CG2 4.37Å; V326-T625 HydrophobicContact CG2-CG2 3.8Å; V326-T625 PolarHBondContact N-OG1 2.95Å |
| 327 | I | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.6 | -41.7 | 179.3 | -57.3 | 152.3 | 0 | 0 | 0 | 110 | M324 Y325 A330 V331 L357 F368 L494 L496 A622 L623 | M324-I327 HydrophobicContact CB-CB 4.27Å; M324-I327 HydrophobicContact CB-CD1 3.83Å; M324-I327 HydrophobicContact CG-CD1 3.97Å; M324-I327 WeakPolarHBondContact O-CB 3.29Å; M324-I327 PolarHBondContact O-N 2.86Å; M324-I327 HydrophobicContact SD-CD1 3.93Å; Y325-I327 VanDerWaalsContact C-N 3.27Å; Y325-I327 PolarHBondContact O-N 2.83Å; I327-A330 PolarHBondContact O-N 3.42Å; I327-V331 WeakPolarHBondContact O-CB 3.4Å; I327-V331 VanDerWaalsContact O-CG2 3.29Å; I327-V331 WeakPolarHBondContact O-CG2 3.39Å; I327-V331 PolarHBondContact O-N 3.3Å; I327-L357 HydrophobicContact CG2-CD2 4.27Å; I327-F368 HydrophobicContact CG2-CE1 4.32Å; I327-F368 HydrophobicContact CG2-CZ 4.25Å; I327-L494 HydrophobicContact CB-CD1 4.41Å; I327-L494 HydrophobicContact CG1-CD1 4.1Å; I327-L494 HydrophobicContact CG2-CD1 4.49Å; I327-L496 HydrophobicContact CD1-CD2 3.36Å; I327-L496 HydrophobicContact CG1-CD2 3.94Å; I327-A622 HydrophobicContact CD1-CB 4.32Å; I327-A622 HydrophobicContact CG1-CB 4.28Å; I327-L623 HydrophobicContact CD1-CD2 4.1Å |
| 328 | K | 91.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.7 | -69.4 | -173.6 | 179.3 | -153 | 0 | 111.5 | L314 L317 C318 V321 G323 M324 Y325 V331 A332 F368 F627 | L314-K328 HydrophobicContact CD2-CB 4.41Å; L314-K328 WeakPolarHBondContact O-CD 3.1Å; L317-K328 HydrophobicContact CD2-CB 4.19Å; L317-K328 HydrophobicContact CD2-CG 4.13Å; L317-K328 WeakPolarHBondContact O-CD 3.29Å; L317-K328 WeakPolarHBondContact O-CE 3.03Å; L317-K328 PolarHBondContact O-NZ 2.8Å; C318-K328 PolarHBondContact O-NZ 2.82Å; V321-K328 VanDerWaalsContact O-CE 3.25Å; V321-K328 WeakPolarHBondContact O-CE 3.47Å; V321-K328 PolarHBondContact O-NZ 2.61Å; G323-K328 WeakPolarHBondContact O-CE 3.44Å; M324-K328 PolarHBondContact O-N 2.78Å; Y325-K328 PolarHBondContact O-N 3.03Å; K328-V331 PolarHBondContact O-N 3.23Å; K328-A332 WeakPolarHBondContact O-CB 3.25Å; K328-A332 PolarHBondContact O-N 3.22Å; K328-F368 HydrophobicContact CG-CE1 4.07Å; K328-F627 HydrophobicContact CD-CE2 4.28Å; K328-F627 HydrophobicContact CD-CZ 3.91Å |
| 329 | L | 91.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -49.4 | 175.4 | 175.7 | 59.3 | 0 | 0 | 0 | 112 | L314 Y325 V331 A332 M333 L589 T602 V606 | L314-L329 HydrophobicContact CD1-CB 4.09Å; L314-L329 HydrophobicContact CD1-CD1 4.1Å; L314-L329 HydrophobicContact CD2-CB 4.41Å; Y325-L329 HydrophobicContact CE1-CD2 4.31Å; Y325-L329 WeakPolarHBondContact O-CB 3.26Å; Y325-L329 PolarHBondContact O-N 2.89Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.33Å; L329-A332 PolarHBondContact O-N 3.33Å; L329-M333 HydrophobicContact CD1-CG 4.21Å; L329-M333 HydrophobicContact CD1-SD 3.82Å; L329-M333 HydrophobicContact CG-SD 3.89Å; L329-M333 WeakPolarHBondContact O-CG 3.36Å; L329-M333 PolarHBondContact O-N 3.42Å; L329-L589 HydrophobicContact CD1-CD2 4.41Å; L329-T602 HydrophobicContact CD2-CG2 3.84Å; L329-V606 HydrophobicContact CD2-CG2 3.71Å; L329-V606 HydrophobicContact CG-CG2 4.09Å |
| 330 | A | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V326 I327 V334 L355 L492 L494 V606 | V326-A330 VanDerWaalsContact O-CB 3.27Å; V326-A330 WeakPolarHBondContact O-CB 3.35Å; V326-A330 PolarHBondContact O-N 3.06Å; I327-A330 PolarHBondContact O-N 3.42Å; A330-V334 WeakPolarHBondContact O-CB 3.47Å; A330-V334 WeakPolarHBondContact O-CG2 3.49Å; A330-V334 PolarHBondContact O-N 3.28Å; A330-L355 HydrophobicContact CB-CD2 4.45Å; A330-L492 HydrophobicContact CB-CD1 3.86Å; A330-L494 HydrophobicContact CB-CD1 3.69Å; A330-V606 HydrophobicContact CB-CG1 4.03Å |
| 331 | V | 93.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L317 I327 K328 L329 M333 V334 L335 L355 F368 | L317-V331 HydrophobicContact CD2-CG1 4.36Å; I327-V331 WeakPolarHBondContact O-CB 3.4Å; I327-V331 VanDerWaalsContact O-CG2 3.29Å; I327-V331 WeakPolarHBondContact O-CG2 3.39Å; I327-V331 PolarHBondContact O-N 3.3Å; K328-V331 PolarHBondContact O-N 3.23Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.33Å; V331-M333 PolarHBondContact O-N 3.08Å; V331-V334 PolarHBondContact O-N 3.33Å; V331-V334 VanDerWaalsContact O-N 3.15Å; V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.12Å; V331-L335 VanDerWaalsContact O-CG 3.26Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å; V331-L355 HydrophobicContact CG2-CD2 3.87Å; V331-F368 HydrophobicContact CG2-CD1 4.48Å |
| 332 | A | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L314 L317 K328 L329 L335 A336 F535 L589 | L314-A332 HydrophobicContact CD2-CB 3.62Å; L317-A332 HydrophobicContact CD1-CB 3.88Å; K328-A332 WeakPolarHBondContact O-CB 3.25Å; K328-A332 PolarHBondContact O-N 3.22Å; L329-A332 PolarHBondContact O-N 3.33Å; A332-L335 PolarHBondContact O-N 2.89Å; A332-A336 PolarHBondContact O-N 3.24Å; A332-F535 HydrophobicContact CB-CZ 4.49Å; A332-F535 WeakPolarHBondContact O-CE1 3.47Å; A332-L589 HydrophobicContact CB-CD1 4.02Å; A332-L589 HydrophobicContact CB-CD2 3.69Å |
| 333 | M | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.2 | -67.6 | 164.6 | 65.5 | 0 | 0 | 111.2 | L329 V331 L335 A336 G337 L582 A585 H586 L589 A603 V606 | L329-M333 HydrophobicContact CD1-CG 4.21Å; L329-M333 HydrophobicContact CD1-SD 3.82Å; L329-M333 HydrophobicContact CG-SD 3.89Å; L329-M333 WeakPolarHBondContact O-CG 3.36Å; L329-M333 PolarHBondContact O-N 3.42Å; V331-M333 PolarHBondContact O-N 3.08Å; M333-L335 VanDerWaalsContact C-N 3.32Å; M333-L335 PolarHBondContact O-N 3.11Å; M333-A336 PolarHBondContact O-N 3.06Å; M333-G337 PolarHBondContact O-N 2.89Å; M333-L582 HydrophobicContact CE-CB 3.87Å; M333-L582 HydrophobicContact CE-CD2 4.01Å; M333-L582 VanDerWaalsContact CE-O 3.28Å; M333-L582 WeakPolarHBondContact CE-O 3.41Å; M333-A585 HydrophobicContact CB-CB 4.34Å; M333-A585 WeakPolarHBondContact O-CB 3.39Å; M333-H586 HydrophobicContact CE-CB 4.19Å; M333-H586 HydrophobicContact CG-CB 4.48Å; M333-L589 HydrophobicContact CG-CD2 4.39Å; M333-A603 HydrophobicContact CE-CB 4.47Å; M333-V606 HydrophobicContact SD-CG2 4.3Å |
| 334 | V | 93.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.8 | -32.2 | 178.9 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | A330 V331 C353 L355 T459 L492 | A330-V334 WeakPolarHBondContact O-CB 3.47Å; A330-V334 WeakPolarHBondContact O-CG2 3.49Å; A330-V334 PolarHBondContact O-N 3.28Å; V331-V334 PolarHBondContact O-N 3.33Å; V331-V334 VanDerWaalsContact O-N 3.15Å; V334-C353 HydrophobicContact CG2-CB 4.09Å; V334-L355 HydrophobicContact CB-CB 4.48Å; V334-L355 HydrophobicContact CG1-CB 4.15Å; V334-L355 HydrophobicContact CG2-CB 3.83Å; V334-L355 HydrophobicContact CG2-CD2 4.22Å; V334-T459 HydrophobicContact CG1-CG2 3.54Å; V334-L492 HydrophobicContact CG2-CD1 4.48Å |
| 335 | L | 92.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.2 | -31.7 | 173.6 | -64.8 | 176.7 | 0 | 0 | 0 | 112.6 | V331 A332 M333 A372 V375 I376 L417 F535 K539 | V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.12Å; V331-L335 VanDerWaalsContact O-CG 3.26Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å; A332-L335 PolarHBondContact O-N 2.89Å; M333-L335 VanDerWaalsContact C-N 3.32Å; M333-L335 PolarHBondContact O-N 3.11Å; L335-A372 HydrophobicContact CD2-CB 4Å; L335-V375 HydrophobicContact CD1-CG1 4.39Å; L335-I376 HydrophobicContact CB-CD1 4.09Å; L335-I376 HydrophobicContact CD2-CD1 3.43Å; L335-I376 VanDerWaalsContact CD2-CD1 3.43Å; L335-I376 HydrophobicContact CD2-CG1 3.95Å; L335-I376 HydrophobicContact CG-CD1 4.34Å; L335-L417 HydrophobicContact CD2-CD1 4.46Å; L335-L417 HydrophobicContact CD2-CD2 3.87Å; L335-F535 HydrophobicContact CB-CD1 3.8Å; L335-F535 HydrophobicContact CB-CE1 3.49Å; L335-F535 VanDerWaalsContact CB-CE1 3.49Å; L335-F535 HydrophobicContact CB-CZ 4.08Å; L335-F535 HydrophobicContact CD1-CZ 4.34Å; L335-K539 WeakPolarHBondContact O-CE 3.42Å |
| 336 | A | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.1 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A332 M333 F535 I538 K539 R588 | A332-A336 PolarHBondContact O-N 3.24Å; M333-A336 PolarHBondContact O-N 3.06Å; A336-F535 HydrophobicContact CB-CE1 4.4Å; A336-I538 HydrophobicContact CB-CD1 3.67Å; A336-I538 HydrophobicContact CB-CG1 4.41Å; A336-K539 WeakPolarHBondContact O-CG 3.24Å; A336-R588 HydrophobicContact CB-CB 4.25Å |
| 337 | G | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | 72.4 | 163.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M333 A585 R588 | M333-G337 PolarHBondContact O-N 2.89Å; G337-A585 WeakPolarHBondContact O-CA 3.36Å; G337-A585 WeakPolarHBondContact O-CB 3.28Å; G337-R588 VanDerWaalsContact C-NH1 3.33Å; G337-R588 WeakPolarHBondContact O-CD 3.49Å; G337-R588 PolarHBondContact O-NH1 3.04Å | ||
| 338 | G | 88.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -91.8 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G351 R588 | G338-G351 CarbonylContact C-O 3.59Å; G338-G351 WeakPolarHBondContact CA-O 3.42Å; G338-G351 PolarHBondContact N-O 3.11Å; G338-R588 VanDerWaalsContact C-NH1 3.27Å; G338-R588 PolarHBondContact O-NH1 2.64Å | ||
| 339 | V | 89.2 | Confident | 87.6 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | trans | -86.8 | 124.7 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | R341 G351 Q542 P543 E584 | V339-R341 HydrophobicContact CG1-CG 4.14Å; V339-R341 PolarHBondContact O-N 3.45Å; V339-G351 WeakPolarHBondContact O-CA 3.21Å; V339-Q542 HydrophobicContact CG1-CB 4.25Å; V339-Q542 HydrophobicContact CG1-CG 4.38Å; V339-Q542 HydrophobicContact CG2-CB 4.48Å; V339-P543 HydrophobicContact CG2-CG 4.19Å; V339-E584 WeakPolarHBondContact CB-OE2 3.13Å; V339-E584 PolarHBondContact N-OE2 3.44Å | ||
| 340 | Q | 87.4 | Confident | 87.5 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -74.7 | 120 | 168.5 | 176.1 | 166.6 | 84.4 | 0 | 0 | 109 | ||||
| 341 | R | 84.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 44.4 Ų | 44.4 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 156.4 | 178.6 | -63.8 | -172 | -179.9 | 117.8 | 9.6 | 110.9 | V339 V349 P543 E584 | V339-R341 HydrophobicContact CG1-CG 4.14Å; V339-R341 PolarHBondContact O-N 3.45Å; R341-V349 HydrophobicContact CB-CB 4.42Å; R341-V349 PolarHBondContact N-O 3.02Å; R341-V349 PolarHBondContact O-N 3.34Å; R341-P543 PolarHBondContact NH2-O 3.49Å; R341-E584 IonicContact CZ-OE1 3.91Å; R341-E584 IonicContact NH1-OE1 3.72Å; R341-E584 PolarHBondContact NH1-OE1 3.16Å; R341-E584 IonicContact NH2-OE1 3.21Å; R341-E584 PolarHBondContact NH2-OE1 3.42Å; R341-E584 IonicContact NH2-OE2 2.83Å |
| 342 | I | 85.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 45.4 Ų | 45.4 | 56% | 0.564 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.7 | 173.3 | -50.4 | -177.7 | 0 | 0 | 0 | 106.9 | T347 K348 | I342-T347 WeakPolarHBondContact CA-O 3.49Å; I342-K348 HydrophobicContact CG1-CG 4.28Å |
| 343 | D | 83.4 | Confident | 87 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | trans | -73.8 | 163.4 | -178.9 | -51.3 | -49.8 | 0 | 0 | 0 | 111 | S345 G346 T347 V349 | D343-S345 WeakPolarHBondContact CB-OG 3.28Å; D343-S345 PolarHBondContact O-N 3.44Å; D343-S345 VanDerWaalsContact O-N 3.13Å; D343-G346 PolarHBondContact O-N 2.8Å; D343-T347 WeakPolarHBondContact CB-OG1 3.24Å; D343-T347 PolarHBondContact N-O 3.39Å; D343-T347 VanDerWaalsContact OD2-CB 3.3Å; D343-T347 WeakPolarHBondContact OD2-CB 3.37Å; D343-T347 PolarHBondContact OD2-OG1 3.43Å; D343-V349 WeakPolarHBondContact OD1-CG2 3.43Å; D343-V349 WeakPolarHBondContact OD2-CG2 3.42Å | ||
| 344 | S | 83.2 | Confident | 87.1 | Confident | 140 Ų | 140 | 45.5 Ų | 45.5 | 98% | 0.979 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.7 | 170.7 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | G346 | S344-G346 VanDerWaalsContact C-N 3.28Š|
| 345 | S | 80.6 | Confident | 87.1 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 64% | 0.643 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -1.9 | 169.5 | 38.4 | 0 | 0 | 0 | 0 | 114.6 | D343 T347 | D343-S345 WeakPolarHBondContact CB-OG 3.28Å; D343-S345 PolarHBondContact O-N 3.44Å; D343-S345 VanDerWaalsContact O-N 3.13Å; S345-T347 PolarHBondContact O-N 2.76Å; S345-T347 PolarHBondContact OG-OG1 3.3Å |
| 346 | G | 80.2 | Confident | 87.1 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 57% | 0.567 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 74.1 | 2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D343 S344 | D343-G346 PolarHBondContact O-N 2.8Å; S344-G346 VanDerWaalsContact C-N 3.28Å |
| 347 | T | 80.6 | Confident | 87.1 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | trans | -68.1 | 136 | 170.4 | 32.9 | 0 | 0 | 0 | 0 | 110 | I342 D343 S345 | I342-T347 WeakPolarHBondContact CA-O 3.49Å; D343-T347 WeakPolarHBondContact CB-OG1 3.24Å; D343-T347 PolarHBondContact N-O 3.39Å; D343-T347 VanDerWaalsContact OD2-CB 3.3Å; D343-T347 WeakPolarHBondContact OD2-CB 3.37Å; D343-T347 PolarHBondContact OD2-OG1 3.43Å; S345-T347 PolarHBondContact O-N 2.76Å; S345-T347 PolarHBondContact OG-OG1 3.3Å | ||
| 348 | K | 82.6 | Confident | 87.1 | Confident | 141 Ų | 141 | 45.4 Ų | 45.4 | 61% | 0.613 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.5 | 177.3 | -63.5 | -168.8 | 177.6 | -174.2 | 0 | 109.2 | I342 | I342-K348 HydrophobicContact CG1-CG 4.28Å |
| 349 | V | 84.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.9 | 172.7 | -178 | 0 | 0 | 0 | 0 | 108.3 | R341 D343 G351 | R341-V349 HydrophobicContact CB-CB 4.42Å; R341-V349 PolarHBondContact N-O 3.02Å; R341-V349 PolarHBondContact O-N 3.34Å; D343-V349 WeakPolarHBondContact OD1-CG2 3.43Å; D343-V349 WeakPolarHBondContact OD2-CG2 3.42Å; V349-G351 PolarHBondContact O-N 2.99Å |
| 350 | R | 88.4 | Confident | 86.9 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | trans | -58.1 | 130.9 | 175.5 | 163.8 | 174 | 159.7 | -141.2 | -25.9 | 110.5 | E352 H354 M438 Q441 R489 D491 R581 | R350-E352 VanDerWaalsContact CZ-O 3.31Å; R350-E352 PolarHBondContact NE-O 3.15Å; R350-E352 PolarHBondContact NH2-O 3.44Å; R350-H354 VanDerWaalsContact CZ-NE2 3.3Å; R350-H354 PolarHBondContact NH1-CD2 3.08Å; R350-H354 PolarHBondContact NH1-NE2 3.19Å; R350-H354 PolarHBondContact NH2-CD2 3.04Å; R350-H354 VanDerWaalsContact NH2-CD2 3.34Å; R350-H354 VanDerWaalsContact NH2-CG 3.3Å; R350-M438 WeakPolarHBondContact CD-O 3.49Å; R350-M438 PolarHBondContact NH1-O 3.37Å; R350-Q441 HydrophobicContact CB-CG 4.15Å; R350-Q441 HydrophobicContact CG-CG 4.14Å; R350-R489 PolarHBondContact NH1-O 3.47Å; R350-D491 IonicContact CZ-OD2 2.69Å; R350-D491 IonicContact NH2-OD1 2.75Å; R350-D491 IonicContact NH2-OD2 2.85Å; R350-D491 PolarHBondContact NH2-OD2 2.79Å; R350-R581 VanDerWaalsContact O-CZ 3.32Å; R350-R581 PolarHBondContact O-NE 3.39Å; R350-R581 PolarHBondContact O-NH2 3.06Å | ||
| 351 | G | 87.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -100 | -27.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G338 V339 V349 C353 | G338-G351 CarbonylContact C-O 3.59Å; G338-G351 WeakPolarHBondContact CA-O 3.42Å; G338-G351 PolarHBondContact N-O 3.11Å; V339-G351 WeakPolarHBondContact O-CA 3.21Å; V349-G351 PolarHBondContact O-N 2.99Å; G351-C353 PolarHBondContact O-N 2.77Å | ||
| 352 | E | 90.9 | Very high | 86.7 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | trans | -64.3 | 130.9 | -175.6 | -59.3 | -55.9 | 127.3 | 0 | 0 | 112.3 | R350 T459 | R350-E352 VanDerWaalsContact CZ-O 3.31Å; R350-E352 PolarHBondContact NE-O 3.15Å; R350-E352 PolarHBondContact NH2-O 3.44Å; E352-T459 PolarHBondContact OE2-OG1 3.45Å; E352-T459 VanDerWaalsContact OE2-OG1 3.12Å | ||
| 353 | C | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -83.7 | 149.6 | 172.7 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | V334 G351 T459 D491 | V334-C353 HydrophobicContact CG2-CB 4.09Å; G351-C353 PolarHBondContact O-N 2.77Å; C353-T459 WeakPolarHBondContact O-CB 3.37Å; C353-T459 VanDerWaalsContact O-CG2 3.31Å; C353-T459 WeakPolarHBondContact O-CG2 3.03Å; C353-T459 PolarHBondContact O-OG1 3.14Å; C353-D491 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 354 | H | 93.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | trans | -129.7 | 136 | 176.2 | -65.4 | -1.2 | 0 | 0 | 0 | 110.9 | R350 T458 I460 F490 D491 L492 | R350-H354 VanDerWaalsContact CZ-NE2 3.3Å; R350-H354 PolarHBondContact NH1-CD2 3.08Å; R350-H354 PolarHBondContact NH1-NE2 3.19Å; R350-H354 PolarHBondContact NH2-CD2 3.04Å; R350-H354 VanDerWaalsContact NH2-CD2 3.34Å; R350-H354 VanDerWaalsContact NH2-CG 3.3Å; H354-T458 PolarHBondContact CE1-O 3.37Å; H354-I460 WeakPolarHBondContact CA-O 2.99Å; H354-I460 PolarHBondContact ND1-N 3.08Å; H354-F490 HydrophobicContact CB-CD1 3.9Å; H354-D491 PolarHBondContact N-OD2 2.82Å; H354-D491 PolarHBondContact O-N 2.88Å; H354-L492 PolarHBondContact O-N 2.87Å; H354-L492 VanDerWaalsContact O-N 3.16Å | ||
| 355 | L | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.2 | -176 | 169 | 61.8 | 0 | 0 | 0 | 111.3 | A330 V331 V334 L357 I460 L461 A462 L492 L494 | A330-L355 HydrophobicContact CB-CD2 4.45Å; V331-L355 HydrophobicContact CG2-CD2 3.87Å; V334-L355 HydrophobicContact CB-CB 4.48Å; V334-L355 HydrophobicContact CG1-CB 4.15Å; V334-L355 HydrophobicContact CG2-CB 3.83Å; V334-L355 HydrophobicContact CG2-CD2 4.22Å; L355-L357 HydrophobicContact CD1-CD2 4.08Å; L355-L357 HydrophobicContact CD2-CD2 4.19Å; L355-L357 HydrophobicContact CG-CD2 4.16Å; L355-L357 HydrophobicContact CG-CG 4.45Å; L355-I460 PolarHBondContact N-O 2.81Å; L355-I460 VanDerWaalsContact N-O 3.13Å; L355-L461 HydrophobicContact CB-CD1 3.75Å; L355-L461 HydrophobicContact CD2-CD1 3.63Å; L355-L461 HydrophobicContact CG-CD1 3.7Å; L355-A462 PolarHBondContact O-N 3.06Å; L355-L492 WeakPolarHBondContact CA-O 3.13Å; L355-L492 HydrophobicContact CD1-CB 3.62Å; L355-L494 HydrophobicContact CD1-CD1 4.15Å; L355-L494 HydrophobicContact CD1-CG 4.03Å |
| 356 | L | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.7 | 172.2 | -178.4 | 65 | 0 | 0 | 0 | 110.1 | V358 A462 T464 L482 L487 F490 L492 V493 L494 | L356-V358 HydrophobicContact CD2-CG2 4.14Å; L356-V358 HydrophobicContact CG-CG2 4.03Å; L356-A462 CarbonylContact C-O 3.56Å; L356-A462 WeakPolarHBondContact CA-O 3.33Å; L356-A462 HydrophobicContact CD1-CB 3.56Å; L356-T464 HydrophobicContact CD1-CG2 3.71Å; L356-T464 HydrophobicContact CD2-CG2 4.4Å; L356-T464 HydrophobicContact CG-CG2 4.13Å; L356-L482 HydrophobicContact CD2-CD1 3.97Å; L356-L487 HydrophobicContact CD2-CD2 3.71Å; L356-F490 HydrophobicContact CB-CB 4.41Å; L356-F490 HydrophobicContact CB-CD1 3.82Å; L356-F490 HydrophobicContact CB-CD2 4.27Å; L356-F490 HydrophobicContact CB-CE1 4.1Å; L356-F490 HydrophobicContact CB-CG 3.91Å; L356-F490 HydrophobicContact CB-CZ 4.44Å; L356-F490 HydrophobicContact CD1-CZ 4.41Å; L356-F490 HydrophobicContact CD2-CD2 4.27Å; L356-F490 HydrophobicContact CD2-CE2 4.3Å; L356-L492 PolarHBondContact N-O 2.65Å; L356-V493 HydrophobicContact CB-CB 4.46Å; L356-V493 HydrophobicContact CB-CG1 4.1Å; L356-V493 HydrophobicContact CB-CG2 4.18Å; L356-V493 HydrophobicContact CD2-CG1 3.91Å; L356-V493 HydrophobicContact CD2-CG2 4.42Å; L356-V493 HydrophobicContact CG-CG1 4.17Å; L356-V493 CarbonylContact O-C 3.56Å; L356-V493 WeakPolarHBondContact O-CA 3.32Å; L356-L494 PolarHBondContact O-N 3.07Å |
| 357 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.9 | 173.1 | -61 | 179.9 | 0 | 0 | 0 | 109.8 | I327 L355 K365 F368 A462 A463 T464 L494 | I327-L357 HydrophobicContact CG2-CD2 4.27Å; L355-L357 HydrophobicContact CD1-CD2 4.08Å; L355-L357 HydrophobicContact CD2-CD2 4.19Å; L355-L357 HydrophobicContact CG-CD2 4.16Å; L355-L357 HydrophobicContact CG-CG 4.45Å; L357-K365 HydrophobicContact CB-CD 4.1Å; L357-K365 HydrophobicContact CB-CG 4.19Å; L357-F368 HydrophobicContact CD1-CB 4.33Å; L357-A462 PolarHBondContact N-O 2.93Å; L357-A463 WeakPolarHBondContact O-CA 3.38Å; L357-T464 PolarHBondContact O-N 3.38Å; L357-L494 HydrophobicContact CD2-CB 4.15Å; L357-L494 HydrophobicContact CD2-CD1 4.27Å |
| 358 | V | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | L356 T464 Y470 V480 V493 L494 V495 L496 | L356-V358 HydrophobicContact CD2-CG2 4.14Å; L356-V358 HydrophobicContact CG-CG2 4.03Å; V358-T464 WeakPolarHBondContact CA-O 3.5Å; V358-T464 HydrophobicContact CB-CG2 4.27Å; V358-T464 HydrophobicContact CG1-CG2 4.46Å; V358-T464 HydrophobicContact CG2-CG2 3.77Å; V358-Y470 HydrophobicContact CG1-CE2 4.28Å; V358-V480 HydrophobicContact CB-CG2 4.47Å; V358-V480 HydrophobicContact CG1-CG2 3.57Å; V358-V480 HydrophobicContact CG2-CG2 4Å; V358-V493 HydrophobicContact CG2-CG1 3.69Å; V358-L494 PolarHBondContact N-O 3.06Å; V358-V495 HydrophobicContact CB-CG2 4.38Å; V358-V495 HydrophobicContact CG1-CG1 4.4Å; V358-L496 WeakPolarHBondContact O-CB 3.25Å; V358-L496 WeakPolarHBondContact O-CG 3.44Å; V358-L496 PolarHBondContact O-N 3.45Å |
| 359 | G | 88.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -173.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K365 T464 N465 P466 L496 | G359-K365 VanDerWaalsContact O-CE 3.28Å; G359-K365 WeakPolarHBondContact O-CE 3.34Å; G359-K365 PolarHBondContact O-NZ 2.72Å; G359-T464 PolarHBondContact N-O 3.13Å; G359-T464 VanDerWaalsContact N-O 3.15Å; G359-N465 WeakPolarHBondContact O-CA 3.33Å; G359-N465 PolarHBondContact O-OD1 3.28Å; G359-P466 WeakPolarHBondContact O-CD 3.3Å; G359-L496 VanDerWaalsContact CA-O 3.31Å; G359-L496 WeakPolarHBondContact CA-O 3.44Å |
| 360 | D | 84.8 | Confident | 89 | Confident | 32 Ų | 32 | 26.2 Ų | 26.2 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | trans | -65.9 | 152.7 | -172.1 | -59.8 | -63.1 | 0 | 0 | 0 | 113.9 | G362 T363 K365 | D360-G362 PolarHBondContact O-N 2.92Å; D360-T363 WeakPolarHBondContact O-CG2 3.45Å; D360-K365 PolarHBondContact O-NZ 3.2Å | ||
| 361 | P | 85.1 | Confident | 89.1 | Confident | 107 Ų | 107 | 26.5 Ų | 26.5 | 70% | 0.695 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 133.1 | 177.9 | 26.9 | -34.7 | 0 | 0 | 0 | 111 | ||
| 362 | G | 81.9 | Confident | 89.3 | Confident | 80 Ų | 80 | 26.5 Ų | 26.5 | 83% | 0.825 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 113.3 | -21.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D360 G364 | D360-G362 PolarHBondContact O-N 2.92Å; G362-G364 PolarHBondContact O-N 3.33Å |
| 363 | T | 82.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -73.2 | 34.9 | -174.8 | 78.4 | 0 | 0 | 0 | 0 | 115.2 | D360 K365 L623 | D360-T363 WeakPolarHBondContact O-CG2 3.45Å; T363-K365 PolarHBondContact O-N 3.04Å; T363-K365 PolarHBondContact OG1-NZ 2.99Å; T363-L623 HydrophobicContact CG2-CD1 4.27Å |
| 364 | G | 84.6 | Confident | 89 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 25% | 0.247 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 70 | -5.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | G362 S366 Q367 F368 | G362-G364 PolarHBondContact O-N 3.33Å; G364-S366 PolarHBondContact O-N 3.4Å; G364-S366 VanDerWaalsContact O-N 3.16Å; G364-Q367 WeakPolarHBondContact O-CA 3.39Å; G364-Q367 WeakPolarHBondContact O-CB 3.31Å; G364-Q367 PolarHBondContact O-N 3.12Å; G364-F368 PolarHBondContact O-N 3.43Å |
| 365 | K | 89.7 | Confident | 88.7 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -42.3 | -53.8 | -173.9 | -77.1 | -176.1 | -76 | -72.6 | 0 | 114.7 | L357 G359 D360 T363 Q367 F368 L369 A463 N465 L496 | L357-K365 HydrophobicContact CB-CD 4.1Å; L357-K365 HydrophobicContact CB-CG 4.19Å; G359-K365 VanDerWaalsContact O-CE 3.28Å; G359-K365 WeakPolarHBondContact O-CE 3.34Å; G359-K365 PolarHBondContact O-NZ 2.72Å; D360-K365 PolarHBondContact O-NZ 3.2Å; T363-K365 PolarHBondContact O-N 3.04Å; T363-K365 PolarHBondContact OG1-NZ 2.99Å; K365-Q367 PolarHBondContact O-N 3.01Å; K365-F368 WeakPolarHBondContact O-CB 3.44Å; K365-F368 PolarHBondContact O-N 3.19Å; K365-F368 VanDerWaalsContact O-N 3.11Å; K365-L369 PolarHBondContact O-N 2.97Å; K365-A463 HydrophobicContact CB-CB 4.25Å; K365-N465 WeakPolarHBondContact CE-OD1 3.42Å; K365-L496 HydrophobicContact CD-CD1 4.11Å; K365-L496 HydrophobicContact CG-CD1 3.65Å |
| 366 | S | 90.2 | Very high | 88.3 | Confident | 42 Ų | 42 | 33.2 Ų | 33.2 | 29% | 0.294 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.8 | -20 | -178.5 | -48 | 0 | 0 | 0 | 0 | 114.1 | G364 K370 D421 | G364-S366 PolarHBondContact O-N 3.4Å; G364-S366 VanDerWaalsContact O-N 3.16Å; S366-K370 WeakPolarHBondContact O-CB 3.29Å; S366-K370 WeakPolarHBondContact O-CD 3.33Å; S366-K370 WeakPolarHBondContact O-CG 3.45Å; S366-K370 PolarHBondContact O-N 2.96Å; S366-K370 VanDerWaalsContact O-N 3.11Å; S366-D421 WeakPolarHBondContact CB-OD2 3.45Å; S366-D421 PolarHBondContact OG-OD2 3.28Å |
| 367 | Q | 89.2 | Confident | 87.4 | Confident | 88 Ų | 88 | 34.7 Ų | 34.7 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -76 | -37.2 | 173 | -57.5 | -67.7 | 40.7 | 0 | 0 | 111.3 | G364 K365 K370 Y371 | G364-Q367 WeakPolarHBondContact O-CA 3.39Å; G364-Q367 WeakPolarHBondContact O-CB 3.31Å; G364-Q367 PolarHBondContact O-N 3.12Å; K365-Q367 PolarHBondContact O-N 3.01Å; Q367-K370 PolarHBondContact O-N 2.98Å; Q367-Y371 WeakPolarHBondContact O-CB 3.49Å; Q367-Y371 PolarHBondContact O-N 3.4Å |
| 368 | F | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 170.3 | -71.6 | -82.9 | 0 | 0 | 0 | 111.2 | C318 V321 M324 I327 K328 V331 L357 G364 K365 K370 Y371 A372 | C318-F368 HydrophobicContact CB-CD1 4.24Å; C318-F368 HydrophobicContact CB-CE1 3.93Å; C318-F368 WeakPolarHBondContact SG-CD1 3.4Å; V321-F368 HydrophobicContact CB-CE2 4.44Å; V321-F368 HydrophobicContact CB-CZ 4.11Å; V321-F368 HydrophobicContact CG1-CE2 4Å; V321-F368 HydrophobicContact CG1-CZ 3.82Å; V321-F368 HydrophobicContact CG2-CE2 4.24Å; V321-F368 HydrophobicContact CG2-CZ 4.3Å; M324-F368 HydrophobicContact CB-CZ 4.34Å; M324-F368 HydrophobicContact SD-CE2 3.73Å; M324-F368 HydrophobicContact SD-CZ 3.84Å; I327-F368 HydrophobicContact CG2-CE1 4.32Å; I327-F368 HydrophobicContact CG2-CZ 4.25Å; K328-F368 HydrophobicContact CG-CE1 4.07Å; V331-F368 HydrophobicContact CG2-CD1 4.48Å; L357-F368 HydrophobicContact CD1-CB 4.33Å; G364-F368 PolarHBondContact O-N 3.43Å; K365-F368 WeakPolarHBondContact O-CB 3.44Å; K365-F368 PolarHBondContact O-N 3.19Å; K365-F368 VanDerWaalsContact O-N 3.11Å; F368-K370 PolarHBondContact O-N 2.92Å; F368-Y371 PolarHBondContact O-N 3.03Å; F368-A372 WeakPolarHBondContact O-CB 3.45Å; F368-A372 PolarHBondContact O-N 2.76Å |
| 369 | L | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 174.2 | -64.5 | -171.3 | 0 | 0 | 0 | 112.6 | K365 A373 L381 C419 D421 L461 A463 | K365-L369 PolarHBondContact O-N 2.97Å; L369-A373 WeakPolarHBondContact O-CB 3.31Å; L369-A373 PolarHBondContact O-N 2.87Å; L369-L381 HydrophobicContact CB-CD1 4.21Å; L369-C419 HydrophobicContact CB-CB 4.37Å; L369-C419 HydrophobicContact CD2-CB 4.36Å; L369-C419 PolarHBondContact O-SG 3.32Å; L369-C419 VanDerWaalsContact O-SG 3.38Å; L369-D421 HydrophobicContact CD1-CB 3.63Å; L369-L461 HydrophobicContact CD2-CB 4.41Å; L369-L461 HydrophobicContact CD2-CD2 3.78Å; L369-L461 HydrophobicContact CD2-CG 3.59Å; L369-A463 HydrophobicContact CD1-CB 3.7Å; L369-A463 HydrophobicContact CD2-CB 4.47Å; L369-A463 HydrophobicContact CG-CB 4.21Å |
| 370 | K | 90.5 | Very high | 86.8 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.7 | -32.7 | 180 | -73 | 166.1 | -173.8 | 174.4 | 0 | 113.2 | S366 Q367 F368 K374 L381 | S366-K370 WeakPolarHBondContact O-CB 3.29Å; S366-K370 WeakPolarHBondContact O-CD 3.33Å; S366-K370 WeakPolarHBondContact O-CG 3.45Å; S366-K370 PolarHBondContact O-N 2.96Å; S366-K370 VanDerWaalsContact O-N 3.11Å; Q367-K370 PolarHBondContact O-N 2.98Å; F368-K370 PolarHBondContact O-N 2.92Å; K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.35Å; K370-L381 HydrophobicContact CG-CD2 3.99Å |
| 371 | Y | 90.4 | Very high | 87.1 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 11% | 0.114 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.4 | -47 | 176.3 | -173.1 | -83.8 | 0 | 0 | 0 | 110.8 | S316 L317 C318 Q367 F368 A373 K374 V375 M528 M531 | S316-Y371 PolarHBondContact O-OH 3.09Å; L317-Y371 HydrophobicContact CG-CE1 4Å; C318-Y371 VanDerWaalsContact N-CZ 3.32Å; C318-Y371 VanDerWaalsContact SG-CB 3.52Å; C318-Y371 VanDerWaalsContact SG-CD1 3.54Å; Q367-Y371 WeakPolarHBondContact O-CB 3.49Å; Q367-Y371 PolarHBondContact O-N 3.4Å; F368-Y371 PolarHBondContact O-N 3.03Å; Y371-A373 VanDerWaalsContact C-N 3.3Å; Y371-A373 PolarHBondContact O-N 3.32Å; Y371-K374 WeakPolarHBondContact O-CA 3.34Å; Y371-K374 WeakPolarHBondContact O-CB 3.35Å; Y371-K374 PolarHBondContact O-N 2.94Å; Y371-V375 HydrophobicContact CD1-CG2 3.75Å; Y371-V375 HydrophobicContact CE1-CG2 3.39Å; Y371-V375 WeakPolarHBondContact O-CG2 3.49Å; Y371-V375 PolarHBondContact O-N 2.75Å; Y371-M528 HydrophobicContact CD2-CE 4.05Å; Y371-M528 HydrophobicContact CE1-CE 4.47Å; Y371-M528 HydrophobicContact CE2-CE 3.54Å; Y371-M531 HydrophobicContact CE1-SD 3.87Å; Y371-M531 VanDerWaalsContact OH-CE 3.29Å; Y371-M531 WeakPolarHBondContact OH-CE 3.34Å; Y371-M531 PolarHBondContact OH-SD 3.44Å; Y371-M531 VanDerWaalsContact OH-SD 3.33Å |
| 372 | A | 91.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.6 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L335 F368 K374 V375 I376 L417 L461 | L335-A372 HydrophobicContact CD2-CB 4Å; F368-A372 WeakPolarHBondContact O-CB 3.45Å; F368-A372 PolarHBondContact O-N 2.76Å; A372-K374 VanDerWaalsContact C-N 3.28Å; A372-K374 PolarHBondContact O-N 2.85Å; A372-V375 PolarHBondContact O-N 2.95Å; A372-I376 PolarHBondContact O-N 3.24Å; A372-L417 VanDerWaalsContact C-CD2 3.46Å; A372-L417 HydrophobicContact CB-CD2 3.81Å; A372-L417 WeakPolarHBondContact O-CD2 3.39Å; A372-L461 HydrophobicContact CB-CD2 3.64Å |
| 373 | A | 89.3 | Confident | 87.6 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -25.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L369 Y371 S379 | L369-A373 WeakPolarHBondContact O-CB 3.31Å; L369-A373 PolarHBondContact O-N 2.87Å; Y371-A373 VanDerWaalsContact C-N 3.3Å; Y371-A373 PolarHBondContact O-N 3.32Å; A373-S379 WeakPolarHBondContact CA-OG 3.41Å; A373-S379 PolarHBondContact O-OG 3.43Å |
| 374 | K | 86.9 | Confident | 87.5 | Confident | 135 Ų | 135 | 35.3 Ų | 35.3 | 59% | 0.587 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -79.9 | -33.3 | 172.7 | -74.2 | 172.7 | 179.6 | -173.7 | 0 | 112.5 | K370 Y371 A372 M528 K532 | K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.35Å; Y371-K374 WeakPolarHBondContact O-CA 3.34Å; Y371-K374 WeakPolarHBondContact O-CB 3.35Å; Y371-K374 PolarHBondContact O-N 2.94Å; A372-K374 VanDerWaalsContact C-N 3.28Å; A372-K374 PolarHBondContact O-N 2.85Å; K374-M528 HydrophobicContact CB-CE 4.24Å; K374-M528 HydrophobicContact CB-SD 4.22Å; K374-K532 VanDerWaalsContact O-CE 3.24Å; K374-K532 WeakPolarHBondContact O-CE 3.39Å; K374-K532 PolarHBondContact O-NZ 3.14Å |
| 375 | V | 86.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.3 | -50 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | L335 Y371 A372 M528 M531 K532 F535 | L335-V375 HydrophobicContact CD1-CG1 4.39Å; Y371-V375 HydrophobicContact CD1-CG2 3.75Å; Y371-V375 HydrophobicContact CE1-CG2 3.39Å; Y371-V375 WeakPolarHBondContact O-CG2 3.49Å; Y371-V375 PolarHBondContact O-N 2.75Å; A372-V375 PolarHBondContact O-N 2.95Å; V375-M528 HydrophobicContact CG2-CE 4.2Å; V375-M528 HydrophobicContact CG2-SD 3.86Å; V375-M531 HydrophobicContact CB-SD 4.48Å; V375-M531 HydrophobicContact CG1-CG 3.88Å; V375-M531 HydrophobicContact CG1-SD 4.04Å; V375-M531 HydrophobicContact CG2-CG 4.26Å; V375-M531 HydrophobicContact CG2-SD 3.54Å; V375-M531 VanDerWaalsContact CG2-SD 3.54Å; V375-K532 WeakPolarHBondContact O-CG 3.46Å; V375-F535 HydrophobicContact CG1-CB 4.37Å; V375-F535 HydrophobicContact CG1-CD2 3.44Å; V375-F535 VanDerWaalsContact CG1-CD2 3.44Å; V375-F535 HydrophobicContact CG1-CE2 3.96Å; V375-F535 HydrophobicContact CG1-CG 4.05Å |
| 376 | I | 86.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -80.9 | 123.7 | 176.6 | -70.8 | -176.6 | 0 | 0 | 0 | 109.8 | L335 A372 R378 S379 L417 | L335-I376 HydrophobicContact CB-CD1 4.09Å; L335-I376 HydrophobicContact CD2-CD1 3.43Å; L335-I376 VanDerWaalsContact CD2-CD1 3.43Å; L335-I376 HydrophobicContact CD2-CG1 3.95Å; L335-I376 HydrophobicContact CG-CD1 4.34Å; A372-I376 PolarHBondContact O-N 3.24Å; I376-R378 WeakPolarHBondContact CG2-O 3.31Å; I376-S379 WeakPolarHBondContact O-CB 3.18Å; I376-S379 PolarHBondContact O-OG 3.4Å; I376-L417 HydrophobicContact CB-CB 4.11Å; I376-L417 HydrophobicContact CB-CD2 4.23Å; I376-L417 HydrophobicContact CD1-CB 4.02Å; I376-L417 HydrophobicContact CD1-CD2 4.3Å; I376-L417 HydrophobicContact CG2-CB 3.89Å |
| 377 | S | 73.3 | Confident | 86.4 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 22% | 0.217 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -70.9 | -37.9 | -173.2 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | Q216 Q280 S379 | Q216-S377 PolarHBondContact NE2-O 3.01Å; Q280-S377 PolarHBondContact OE1-OG 3.01Å; S377-S379 PolarHBondContact O-N 3.43Å |
| 378 | R | 80.8 | Confident | 86.1 | Confident | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -93.6 | 85.5 | 167.8 | -162.5 | -172.5 | -165 | 157.5 | 17.8 | 109.5 | G242 D243 I376 L412 D414 G416 L417 | G242-R378 VanDerWaalsContact C-NH2 3.28Å; G242-R378 PolarHBondContact O-NH2 3.16Å; D243-R378 IonicContact OD1-CZ 3.15Å; D243-R378 IonicContact OD1-NH1 2.7Å; D243-R378 IonicContact OD1-NH2 3.89Å; D243-R378 PolarHBondContact OD1-NH2 3.4Å; I376-R378 WeakPolarHBondContact CG2-O 3.31Å; R378-L412 PolarHBondContact NE-O 3.33Å; R378-L412 VanDerWaalsContact NE-O 3.11Å; R378-D414 WeakPolarHBondContact CD-O 3.44Å; R378-D414 PolarHBondContact NE-O 3.19Å; R378-D414 PolarHBondContact NH1-O 3.04Å; R378-G416 VanDerWaalsContact O-CA 3.28Å; R378-G416 WeakPolarHBondContact O-CA 3.38Å; R378-L417 PolarHBondContact O-N 2.79Å |
| 379 | S | 87.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152.7 | 179.6 | 77.8 | 0 | 0 | 0 | 0 | 112.9 | A373 I376 S377 L417 | A373-S379 WeakPolarHBondContact CA-OG 3.41Å; A373-S379 PolarHBondContact O-OG 3.43Å; I376-S379 WeakPolarHBondContact O-CB 3.18Å; I376-S379 PolarHBondContact O-OG 3.4Å; S377-S379 PolarHBondContact O-N 3.43Å; S379-L417 CarbonylContact C-O 3.46Å; S379-L417 VanDerWaalsContact CA-O 3.23Å; S379-L417 WeakPolarHBondContact CA-O 3.41Å |
| 380 | V | 88.1 | Confident | 85 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.8 | 172.4 | -175 | 0 | 0 | 0 | 0 | 109 | T382 A409 L412 L417 C419 | V380-T382 HydrophobicContact CG1-CG2 4.09Å; V380-A409 HydrophobicContact CB-CB 4.34Å; V380-A409 HydrophobicContact CG1-CB 3.71Å; V380-L412 HydrophobicContact CG2-CB 4.04Å; V380-L417 PolarHBondContact N-O 2.72Å; V380-C419 PolarHBondContact O-N 2.71Å |
| 381 | L | 89.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 41.2 Ų | 41.2 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120 | 174.7 | 176.9 | 64.4 | 0 | 0 | 0 | 109.5 | L369 K370 C419 | L369-L381 HydrophobicContact CB-CD1 4.21Å; K370-L381 HydrophobicContact CG-CD2 3.99Å; L381-C419 WeakPolarHBondContact CA-O 3.49Å; L381-C419 HydrophobicContact CB-CB 4.39Å; L381-C419 HydrophobicContact CD1-CB 3.49Å; L381-C419 VanDerWaalsContact CD1-CB 3.49Å |
| 382 | T | 88.4 | Confident | 84.5 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.8 | 174 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | V380 A409 C419 I420 D421 | V380-T382 HydrophobicContact CG1-CG2 4.09Å; T382-A409 HydrophobicContact CG2-CB 3.67Å; T382-C419 PolarHBondContact N-O 2.78Å; T382-I420 WeakPolarHBondContact O-CA 3.41Å; T382-D421 PolarHBondContact O-N 3.41Å |
| 383 | A | 89.3 | Confident | 84.3 | Confident | 45 Ų | 45 | 40 Ų | 40 | 37% | 0.372 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I385 G386 S387 | A383-I385 VanDerWaalsContact C-N 3.29Å; A383-I385 PolarHBondContact O-N 3.3Å; A383-G386 PolarHBondContact O-N 3.5Å; A383-G386 VanDerWaalsContact O-N 3.11Å; A383-S387 WeakPolarHBondContact O-CB 3.44Å; A383-S387 PolarHBondContact O-N 2.82Å; A383-S387 PolarHBondContact O-OG 2.88Å |
| 384 | G | 81.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -35.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | S387 D421 S425 | G384-S387 PolarHBondContact O-N 2.84Å; G384-D421 PolarHBondContact N-O 3.37Å; G384-S425 VanDerWaalsContact CA-OG 3.27Å; G384-S425 WeakPolarHBondContact CA-OG 3.31Å |
| 385 | I | 83.3 | Confident | 84.1 | Confident | 125 Ų | 125 | 33.7 Ų | 33.7 | 64% | 0.641 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -39.1 | 176.8 | -58.8 | 179.3 | 0 | 0 | 0 | 111.8 | A383 E422 S425 | A383-I385 VanDerWaalsContact C-N 3.29Å; A383-I385 PolarHBondContact O-N 3.3Å; I385-E422 VanDerWaalsContact CD1-OE2 3.24Å; I385-E422 WeakPolarHBondContact CD1-OE2 3.32Å; I385-S425 PolarHBondContact N-OG 3.07Å; I385-S425 VanDerWaalsContact N-OG 3.14Å |
| 386 | G | 75.9 | Confident | 84.1 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | A383 T388 | A383-G386 PolarHBondContact O-N 3.5Å; A383-G386 VanDerWaalsContact O-N 3.11Å; G386-T388 PolarHBondContact O-N 2.94Å |
| 387 | S | 81 | Confident | 84.1 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | trans | -75.3 | 115.3 | -179 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | A383 G384 | A383-S387 WeakPolarHBondContact O-CB 3.44Å; A383-S387 PolarHBondContact O-N 2.82Å; A383-S387 PolarHBondContact O-OG 2.88Å; G384-S387 PolarHBondContact O-N 2.84Å | ||
| 388 | T | 83.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | trans | -104.8 | 155.4 | 169 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | G386 A390 G391 L392 | G386-T388 PolarHBondContact O-N 2.94Å; T388-A390 PolarHBondContact O-N 3.06Å; T388-A390 VanDerWaalsContact O-N 3.15Å; T388-G391 PolarHBondContact O-N 3.33Å; T388-G391 PolarHBondContact OG1-N 2.88Å; T388-G391 VanDerWaalsContact OG1-N 3.13Å; T388-L392 WeakPolarHBondContact O-CB 3.49Å; T388-L392 PolarHBondContact O-N 2.8Å | ||
| 389 | S | 79.3 | Confident | 84.5 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -50.7 | -40 | 173.1 | 35.3 | 0 | 0 | 0 | 0 | 112 | T393 H429 D430 | S389-T393 WeakPolarHBondContact O-CB 3.39Å; S389-T393 PolarHBondContact O-N 3.48Å; S389-T393 PolarHBondContact O-OG1 3.04Å; S389-H429 PolarHBondContact OG-NE2 3.41Å; S389-D430 WeakPolarHBondContact CA-OD1 3.35Å; S389-D430 WeakPolarHBondContact CB-OD1 3.5Å; S389-D430 PolarHBondContact N-OD1 2.74Å |
| 390 | A | 81.3 | Confident | 83.8 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -54.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T388 A395 | T388-A390 PolarHBondContact O-N 3.06Å; T388-A390 VanDerWaalsContact O-N 3.15Å; A390-A395 HydrophobicContact CB-CB 4.11Å |
| 391 | G | 83.9 | Confident | 83.2 | Confident | 43 Ų | 43 | 46 Ų | 46 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -76 | -19.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T388 G408 A409 | T388-G391 PolarHBondContact O-N 3.33Å; T388-G391 PolarHBondContact OG1-N 2.88Å; T388-G391 VanDerWaalsContact OG1-N 3.13Å; G391-G408 CarbonylContact O-C 3.57Å; G391-G408 WeakPolarHBondContact O-CA 3.36Å; G391-A409 PolarHBondContact O-N 2.91Å |
| 392 | L | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89.7 | -36.8 | 176.7 | -172.7 | 67.1 | 0 | 0 | 0 | 112.3 | T388 A409 L410 D430 I434 | T388-L392 WeakPolarHBondContact O-CB 3.49Å; T388-L392 PolarHBondContact O-N 2.8Å; L392-A409 HydrophobicContact CD1-CB 4.39Å; L392-A409 PolarHBondContact O-N 3.42Å; L392-L410 HydrophobicContact CD1-CD1 4.2Å; L392-L410 HydrophobicContact CD1-CG 3.94Å; L392-L410 HydrophobicContact CD2-CD1 4.39Å; L392-L410 HydrophobicContact CG-CD1 3.87Å; L392-L410 HydrophobicContact CG-CG 4.1Å; L392-L410 WeakPolarHBondContact O-CB 3.19Å; L392-L410 WeakPolarHBondContact O-CG 3.34Å; L392-L410 PolarHBondContact O-N 3.15Å; L392-D430 HydrophobicContact CD2-CB 4.4Å; L392-I434 HydrophobicContact CD2-CD1 3.78Å; L392-I434 HydrophobicContact CD2-CG1 3.75Å |
| 393 | T | 87.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -104.3 | -96.9 | -174.5 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | S389 G408 I443 | S389-T393 WeakPolarHBondContact O-CB 3.39Å; S389-T393 PolarHBondContact O-N 3.48Å; S389-T393 PolarHBondContact O-OG1 3.04Å; T393-G408 WeakPolarHBondContact O-CA 3.38Å; T393-G408 PolarHBondContact O-N 2.96Å; T393-I443 HydrophobicContact CG2-CD1 4.19Å |
| 394 | V | 84.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 134.6 | 175.8 | 174 | 0 | 0 | 0 | 0 | 108.9 | L405 E406 V411 V445 K447 L454 | V394-L405 HydrophobicContact CG1-CB 4.07Å; V394-L405 HydrophobicContact CG1-CD2 3.91Å; V394-L405 HydrophobicContact CG1-CG 4.49Å; V394-E406 CarbonylContact C-O 3.36Å; V394-E406 VanDerWaalsContact CA-O 3.32Å; V394-E406 WeakPolarHBondContact CA-O 3.36Å; V394-E406 WeakPolarHBondContact CG1-O 3.23Å; V394-V411 HydrophobicContact CG2-CG2 3.8Å; V394-V445 HydrophobicContact CB-CG1 4.44Å; V394-V445 HydrophobicContact CB-CG2 4.07Å; V394-V445 HydrophobicContact CG1-CG1 4.38Å; V394-V445 HydrophobicContact CG2-CG2 4.12Å; V394-K447 PolarHBondContact O-NZ 2.96Å; V394-L454 HydrophobicContact CG2-CD1 3.6Å |
| 395 | A | 87.1 | Confident | 82.4 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | A390 V397 E406 | A390-A395 HydrophobicContact CB-CB 4.11Å; A395-V397 HydrophobicContact CB-CG2 4.16Å; A395-E406 HydrophobicContact CB-CB 4.28Å; A395-E406 PolarHBondContact N-O 2.9Å; A395-E406 PolarHBondContact O-N 2.91Å |
| 396 | A | 87.4 | Confident | 82.5 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 22% | 0.223 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | W403 H404 L405 K447 A448 | A396-W403 HydrophobicContact CB-CE3 4.36Å; A396-H404 CarbonylContact C-O 3.45Å; A396-H404 WeakPolarHBondContact CA-O 3.31Å; A396-L405 HydrophobicContact CB-CD2 4.32Å; A396-K447 HydrophobicContact CB-CB 3.87Å; A396-A448 HydrophobicContact CB-CB 4.14Å |
| 397 | V | 86.1 | Confident | 82.9 | Confident | 40 Ų | 40 | 44 Ų | 44 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.8 | -175.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | A395 H404 E406 | A395-V397 HydrophobicContact CB-CG2 4.16Å; V397-H404 PolarHBondContact N-O 3.39Å; V397-H404 PolarHBondContact O-N 2.94Å; V397-E406 HydrophobicContact CG2-CB 4.1Å |
| 398 | K | 85.4 | Confident | 83.3 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 120 | 174.1 | -160.7 | -178.3 | -178 | -173.6 | 0 | 109.3 | G401 D402 W403 | K398-G401 WeakPolarHBondContact CE-O 3.49Å; K398-D402 CarbonylContact C-O 3.54Å; K398-D402 VanDerWaalsContact CA-O 3.31Å; K398-D402 WeakPolarHBondContact CA-O 3.45Å; K398-D402 WeakPolarHBondContact CG-O 3.29Å; K398-W403 HydrophobicContact CB-CD2 4.07Å; K398-W403 HydrophobicContact CB-CE3 3.76Å; K398-W403 HydrophobicContact CB-CH2 4.11Å; K398-W403 HydrophobicContact CB-CZ2 4.39Å; K398-W403 HydrophobicContact CB-CZ3 3.79Å; K398-W403 HydrophobicContact CD-CZ2 4.09Å; K398-W403 HydrophobicContact CG-CD2 4.13Å; K398-W403 HydrophobicContact CG-CE3 4.33Å; K398-W403 HydrophobicContact CG-CZ2 4.46Å |
| 399 | D | 77.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.3 | -176.6 | -152.8 | -15.4 | 0 | 0 | 0 | 109 | R140 G401 D402 H404 | R140-D399 IonicContact NH1-OD2 2.67Å; R140-D399 PolarHBondContact NH1-OD2 2.81Å; D399-G401 PolarHBondContact O-N 3.06Å; D399-D402 PolarHBondContact N-O 3.15Å; D399-D402 PolarHBondContact O-N 2.82Å; D399-D402 VanDerWaalsContact O-O 3.08Å; D399-H404 PolarHBondContact O-CE1 2.98Å |
| 400 | G | 72.1 | Confident | 84 | Confident | 90 Ų | 90 | 39 Ų | 39 | 93% | 0.928 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -10.5 | -172 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 401 | G | 77.1 | Confident | 84.3 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 120.6 | -22 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K398 D399 | K398-G401 WeakPolarHBondContact CE-O 3.49Å; D399-G401 PolarHBondContact O-N 3.06Å |
| 402 | D | 79.1 | Confident | 84.4 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 163.1 | 179.1 | -79.6 | -27.1 | 0 | 0 | 0 | 112.2 | K145 K398 D399 H404 | K145-D402 WeakPolarHBondContact CE-OD2 3.25Å; K145-D402 IonicContact NZ-OD2 3.26Å; K145-D402 PolarHBondContact NZ-OD2 2.88Å; K398-D402 CarbonylContact C-O 3.54Å; K398-D402 VanDerWaalsContact CA-O 3.31Å; K398-D402 WeakPolarHBondContact CA-O 3.45Å; K398-D402 WeakPolarHBondContact CG-O 3.29Å; D399-D402 PolarHBondContact N-O 3.15Å; D399-D402 PolarHBondContact O-N 2.82Å; D399-D402 VanDerWaalsContact O-O 3.08Å; D402-H404 PolarHBondContact O-ND1 3.13Å |
| 403 | W | 83.3 | Confident | 84.4 | Confident | 115 Ų | 115 | 37.8 Ų | 37.8 | 44% | 0.436 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.8 | 175.7 | -67.2 | 101.3 | 0 | 0 | 0 | 111.2 | A396 K398 A448 M450 | A396-W403 HydrophobicContact CB-CE3 4.36Å; K398-W403 HydrophobicContact CB-CD2 4.07Å; K398-W403 HydrophobicContact CB-CE3 3.76Å; K398-W403 HydrophobicContact CB-CH2 4.11Å; K398-W403 HydrophobicContact CB-CZ2 4.39Å; K398-W403 HydrophobicContact CB-CZ3 3.79Å; K398-W403 HydrophobicContact CD-CZ2 4.09Å; K398-W403 HydrophobicContact CG-CD2 4.13Å; K398-W403 HydrophobicContact CG-CE3 4.33Å; K398-W403 HydrophobicContact CG-CZ2 4.46Å; W403-A448 HydrophobicContact CB-CB 4.18Å; W403-A448 HydrophobicContact CD2-CB 3.4Å; W403-A448 HydrophobicContact CE3-CB 3.58Å; W403-A448 HydrophobicContact CG-CB 3.68Å; W403-A448 HydrophobicContact CH2-CB 4.38Å; W403-A448 HydrophobicContact CZ2-CB 4.23Å; W403-A448 HydrophobicContact CZ3-CB 4.07Å; W403-M450 HydrophobicContact CB-SD 3.97Å |
| 404 | H | 84.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 38.3 Ų | 38.3 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.6 | -178.6 | -60.5 | 91.5 | 0 | 0 | 0 | 110.2 | A396 V397 D399 D402 | A396-H404 CarbonylContact C-O 3.45Å; A396-H404 WeakPolarHBondContact CA-O 3.31Å; V397-H404 PolarHBondContact N-O 3.39Å; V397-H404 PolarHBondContact O-N 2.94Å; D399-H404 PolarHBondContact O-CE1 2.98Å; D402-H404 PolarHBondContact O-ND1 3.13Å |
| 405 | L | 84.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.8 | 173.9 | -64.5 | 174.7 | 0 | 0 | 0 | 110.3 | R140 V394 A396 M450 C452 | R140-L405 WeakPolarHBondContact CA-O 3.29Å; V394-L405 HydrophobicContact CG1-CB 4.07Å; V394-L405 HydrophobicContact CG1-CD2 3.91Å; V394-L405 HydrophobicContact CG1-CG 4.49Å; A396-L405 HydrophobicContact CB-CD2 4.32Å; L405-M450 HydrophobicContact CD1-CE 3.82Å; L405-M450 HydrophobicContact CD1-SD 4.37Å; L405-M450 HydrophobicContact CD2-CE 4.43Å; L405-M450 HydrophobicContact CD2-SD 3.94Å; L405-M450 HydrophobicContact CG-CE 3.65Å; L405-M450 HydrophobicContact CG-SD 3.79Å; L405-C452 WeakPolarHBondContact CD1-SG 3.09Å |
| 406 | E | 85.8 | Confident | 84.4 | Confident | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.2 | 178.5 | 173.4 | 159.1 | 143.3 | 0 | 0 | 109.2 | I139 R140 V394 A395 V397 | I139-E406 HydrophobicContact CG2-CG 3.86Å; R140-E406 HydrophobicContact CG-CB 4.15Å; R140-E406 IonicContact CZ-OE2 2.92Å; R140-E406 IonicContact NE-OE2 3.56Å; R140-E406 PolarHBondContact NE-OE2 3.14Å; R140-E406 IonicContact NH2-OE2 2.92Å; R140-E406 PolarHBondContact NH2-OE2 3.43Å; V394-E406 CarbonylContact C-O 3.36Å; V394-E406 VanDerWaalsContact CA-O 3.32Å; V394-E406 WeakPolarHBondContact CA-O 3.36Å; V394-E406 WeakPolarHBondContact CG1-O 3.23Å; A395-E406 HydrophobicContact CB-CB 4.28Å; A395-E406 PolarHBondContact N-O 2.9Å; A395-E406 PolarHBondContact O-N 2.91Å; V397-E406 HydrophobicContact CG2-CB 4.1Å |
| 407 | A | 84.8 | Confident | 84.6 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I139 V411 L412 | I139-A407 PolarHBondContact O-N 2.84Å; A407-V411 HydrophobicContact CB-CB 4Å; A407-V411 HydrophobicContact CB-CG1 3.89Å; A407-L412 HydrophobicContact CB-CD2 3.64Å; A407-L412 HydrophobicContact CB-CG 4.22Å |
| 408 | G | 88.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -90.4 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G391 T393 L410 V411 L412 | G391-G408 CarbonylContact O-C 3.57Å; G391-G408 WeakPolarHBondContact O-CA 3.36Å; T393-G408 WeakPolarHBondContact O-CA 3.38Å; T393-G408 PolarHBondContact O-N 2.96Å; G408-L410 VanDerWaalsContact C-N 3.29Å; G408-L410 PolarHBondContact O-N 2.86Å; G408-V411 PolarHBondContact O-N 2.88Å; G408-L412 WeakPolarHBondContact O-CG 3.45Å; G408-L412 PolarHBondContact O-N 2.81Å; G408-L412 VanDerWaalsContact O-N 3.07Å | ||
| 409 | A | 88.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.1 | -37.2 | -168 | 0 | 0 | 0 | 0 | 0 | 115.6 | V380 T382 G391 L392 V411 S413 | V380-A409 HydrophobicContact CB-CB 4.34Å; V380-A409 HydrophobicContact CG1-CB 3.71Å; T382-A409 HydrophobicContact CG2-CB 3.67Å; G391-A409 PolarHBondContact O-N 2.91Å; L392-A409 HydrophobicContact CD1-CB 4.39Å; L392-A409 PolarHBondContact O-N 3.42Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 2.82Å; A409-S413 PolarHBondContact O-N 2.87Å; A409-S413 PolarHBondContact O-OG 3.02Å |
| 410 | L | 89.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72 | -22.1 | 178.3 | -67.3 | 173.1 | 0 | 0 | 0 | 113.8 | L392 G408 C418 A437 I443 T456 T458 I460 | L392-L410 HydrophobicContact CD1-CD1 4.2Å; L392-L410 HydrophobicContact CD1-CG 3.94Å; L392-L410 HydrophobicContact CD2-CD1 4.39Å; L392-L410 HydrophobicContact CG-CD1 3.87Å; L392-L410 HydrophobicContact CG-CG 4.1Å; L392-L410 WeakPolarHBondContact O-CB 3.19Å; L392-L410 WeakPolarHBondContact O-CG 3.34Å; L392-L410 PolarHBondContact O-N 3.15Å; G408-L410 VanDerWaalsContact C-N 3.29Å; G408-L410 PolarHBondContact O-N 2.86Å; L410-C418 HydrophobicContact CD2-CB 4.1Å; L410-A437 HydrophobicContact CD1-CB 4.18Å; L410-I443 HydrophobicContact CB-CD1 4.15Å; L410-I443 HydrophobicContact CD1-CD1 4.05Å; L410-T456 HydrophobicContact CB-CG2 4.29Å; L410-T456 WeakPolarHBondContact O-CB 3.46Å; L410-T456 VanDerWaalsContact O-CG2 3.3Å; L410-T456 WeakPolarHBondContact O-CG2 3.37Å; L410-T458 WeakPolarHBondContact O-CG2 3.46Å; L410-I460 HydrophobicContact CD2-CD1 4.16Å |
| 411 | V | 88 | Confident | 87 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -90.3 | -40.1 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | S241 V394 A407 G408 A409 S413 D414 L454 T456 | S241-V411 WeakPolarHBondContact O-CG1 3.3Å; V394-V411 HydrophobicContact CG2-CG2 3.8Å; A407-V411 HydrophobicContact CB-CB 4Å; A407-V411 HydrophobicContact CB-CG1 3.89Å; G408-V411 PolarHBondContact O-N 2.88Å; A409-V411 VanDerWaalsContact C-N 3.32Å; A409-V411 PolarHBondContact O-N 2.82Å; V411-S413 PolarHBondContact O-N 2.99Å; V411-S413 VanDerWaalsContact O-N 3.15Å; V411-D414 PolarHBondContact O-N 3.4Å; V411-L454 HydrophobicContact CG2-CB 4.44Å; V411-T456 HydrophobicContact CG2-CG2 3.87Å |
| 412 | L | 85.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 24 Ų | 24 | 27% | 0.272 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59.2 | -25.2 | 175.7 | -60.2 | 178.8 | 0 | 0 | 0 | 113.3 | R378 V380 A407 G408 | R378-L412 PolarHBondContact NE-O 3.33Å; R378-L412 VanDerWaalsContact NE-O 3.11Å; V380-L412 HydrophobicContact CG2-CB 4.04Å; A407-L412 HydrophobicContact CB-CD2 3.64Å; A407-L412 HydrophobicContact CB-CG 4.22Å; G408-L412 WeakPolarHBondContact O-CG 3.45Å; G408-L412 PolarHBondContact O-N 2.81Å; G408-L412 VanDerWaalsContact O-N 3.07Å |
| 413 | S | 87.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 15.8 | -175.7 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | A409 V411 G415 G416 T458 | A409-S413 PolarHBondContact O-N 2.87Å; A409-S413 PolarHBondContact O-OG 3.02Å; V411-S413 PolarHBondContact O-N 2.99Å; V411-S413 VanDerWaalsContact O-N 3.15Å; S413-G415 PolarHBondContact O-N 3.44Å; S413-G416 CarbonylContact O-C 3.58Å; S413-G416 VanDerWaalsContact O-CA 3.24Å; S413-G416 WeakPolarHBondContact O-CA 3.45Å; S413-G416 PolarHBondContact O-N 2.88Å; S413-T458 WeakPolarHBondContact O-CG2 3.34Å; S413-T458 WeakPolarHBondContact OG-CG2 3.49Å |
| 414 | D | 87 | Confident | 88.3 | Confident | 16 Ų | 16 | 16.6 Ų | 16.6 | 9% | 0.086 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.5 | -178.9 | -177 | 56.9 | 0 | 0 | 0 | 113.6 | R378 V411 G416 R457 | R378-D414 WeakPolarHBondContact CD-O 3.44Å; R378-D414 PolarHBondContact NE-O 3.19Å; R378-D414 PolarHBondContact NH1-O 3.04Å; V411-D414 PolarHBondContact O-N 3.4Å; D414-G416 PolarHBondContact O-N 3.24Å; D414-R457 WeakPolarHBondContact OD1-CA 3.35Å; D414-R457 WeakPolarHBondContact OD1-CB 3.46Å; D414-R457 WeakPolarHBondContact OD1-CG 3.32Å; D414-R457 IonicContact OD1-CZ 3.79Å; D414-R457 PolarHBondContact OD1-N 3.06Å; D414-R457 IonicContact OD1-NE 3.46Å; D414-R457 PolarHBondContact OD1-NE 3.24Å; D414-R457 IonicContact OD1-NH2 2.73Å; D414-R457 IonicContact OD2-CZ 2.71Å; D414-R457 IonicContact OD2-NE 3.34Å; D414-R457 PolarHBondContact OD2-NE 2.97Å; D414-R457 IonicContact OD2-NH2 3.53Å; D414-R457 PolarHBondContact OD2-NH2 2.91Å |
| 415 | G | 83.1 | Confident | 88.4 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 16% | 0.155 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 5.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S413 R457 | S413-G415 PolarHBondContact O-N 3.44Å; G415-R457 VanDerWaalsContact CA-O 3.28Å; G415-R457 WeakPolarHBondContact CA-O 3.48Å; G415-R457 PolarHBondContact N-O 3.25Å |
| 416 | G | 88.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -127.6 | -144.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R378 S413 D414 T459 | R378-G416 VanDerWaalsContact O-CA 3.28Å; R378-G416 WeakPolarHBondContact O-CA 3.38Å; S413-G416 CarbonylContact O-C 3.58Å; S413-G416 VanDerWaalsContact O-CA 3.24Å; S413-G416 WeakPolarHBondContact O-CA 3.45Å; S413-G416 PolarHBondContact O-N 2.88Å; D414-G416 PolarHBondContact O-N 3.24Å; G416-T459 PolarHBondContact O-N 2.94Å |
| 417 | L | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | -168.8 | 176.2 | 67 | 0 | 0 | 0 | 112.4 | L335 A372 I376 R378 S379 V380 T459 L461 | L335-L417 HydrophobicContact CD2-CD1 4.46Å; L335-L417 HydrophobicContact CD2-CD2 3.87Å; A372-L417 VanDerWaalsContact C-CD2 3.46Å; A372-L417 HydrophobicContact CB-CD2 3.81Å; A372-L417 WeakPolarHBondContact O-CD2 3.39Å; I376-L417 HydrophobicContact CB-CB 4.11Å; I376-L417 HydrophobicContact CB-CD2 4.23Å; I376-L417 HydrophobicContact CD1-CB 4.02Å; I376-L417 HydrophobicContact CD1-CD2 4.3Å; I376-L417 HydrophobicContact CG2-CB 3.89Å; R378-L417 PolarHBondContact O-N 2.79Å; S379-L417 CarbonylContact C-O 3.46Å; S379-L417 VanDerWaalsContact CA-O 3.23Å; S379-L417 WeakPolarHBondContact CA-O 3.41Å; V380-L417 PolarHBondContact N-O 2.72Å; L417-T459 HydrophobicContact CD1-CG2 3.79Å; L417-L461 HydrophobicContact CD1-CB 3.75Å; L417-L461 HydrophobicContact CD1-CD2 4.48Å |
| 418 | C | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 104.5 | 167.1 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | L410 T459 L461 | L410-C418 HydrophobicContact CD2-CB 4.1Å; C418-T459 PolarHBondContact N-O 3.03Å; C418-L461 PolarHBondContact O-N 3.03Å |
| 419 | C | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.5 | 172.1 | -74.6 | 0 | 0 | 0 | 0 | 109.9 | L369 V380 L381 T382 L461 | L369-C419 HydrophobicContact CB-CB 4.37Å; L369-C419 HydrophobicContact CD2-CB 4.36Å; L369-C419 PolarHBondContact O-SG 3.32Å; L369-C419 VanDerWaalsContact O-SG 3.38Å; V380-C419 PolarHBondContact O-N 2.71Å; L381-C419 WeakPolarHBondContact CA-O 3.49Å; L381-C419 HydrophobicContact CB-CB 4.39Å; L381-C419 HydrophobicContact CD1-CB 3.49Å; L381-C419 VanDerWaalsContact CD1-CB 3.49Å; T382-C419 PolarHBondContact N-O 2.78Å; C419-L461 CarbonylContact C-O 3.59Å; C419-L461 WeakPolarHBondContact CA-O 3.37Å |
| 420 | I | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.8 | 179.6 | -47.7 | 177.4 | 0 | 0 | 0 | 109.8 | T382 F423 I426 I460 L461 A462 A463 | T382-I420 WeakPolarHBondContact O-CA 3.41Å; I420-F423 HydrophobicContact CB-CD2 4.42Å; I420-F423 HydrophobicContact CD1-CD2 4.42Å; I420-F423 HydrophobicContact CD1-CE2 4.49Å; I420-F423 HydrophobicContact CG2-CD2 4.19Å; I420-I426 HydrophobicContact CG2-CD1 3.88Å; I420-I460 HydrophobicContact CD1-CG2 4.03Å; I420-L461 PolarHBondContact N-O 3.45Å; I420-A462 CarbonylContact O-C 3.24Å; I420-A462 WeakPolarHBondContact O-CA 3.47Å; I420-A463 PolarHBondContact O-N 3.22Å |
| 421 | D | 92.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 156 | 172.5 | -147.1 | -21.6 | 0 | 0 | 0 | 111.2 | S366 L369 T382 G384 F423 | S366-D421 WeakPolarHBondContact CB-OD2 3.45Å; S366-D421 PolarHBondContact OG-OD2 3.28Å; L369-D421 HydrophobicContact CD1-CB 3.63Å; T382-D421 PolarHBondContact O-N 3.41Å; G384-D421 PolarHBondContact N-O 3.37Å; D421-F423 VanDerWaalsContact C-N 3.33Å; D421-F423 PolarHBondContact O-N 2.91Å |
| 422 | E | 89.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 39 Ų | 39 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 50.5 | 42.9 | -178.8 | -55.4 | -170.1 | 131.2 | 0 | 0 | 114.8 | I385 S424 S425 A463 | I385-E422 VanDerWaalsContact CD1-OE2 3.24Å; I385-E422 WeakPolarHBondContact CD1-OE2 3.32Å; E422-S424 PolarHBondContact O-N 2.96Å; E422-S425 WeakPolarHBondContact O-CB 3.43Å; E422-S425 PolarHBondContact O-N 3.32Å; E422-S425 PolarHBondContact O-OG 3.01Å; E422-A463 PolarHBondContact N-O 2.92Å |
| 423 | F | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -53.6 | -30.3 | -172.8 | -175.1 | -90.5 | 0 | 0 | 0 | 114.6 | I420 D421 S425 I426 I434 A462 A463 L482 L486 F490 | I420-F423 HydrophobicContact CB-CD2 4.42Å; I420-F423 HydrophobicContact CD1-CD2 4.42Å; I420-F423 HydrophobicContact CD1-CE2 4.49Å; I420-F423 HydrophobicContact CG2-CD2 4.19Å; D421-F423 VanDerWaalsContact C-N 3.33Å; D421-F423 PolarHBondContact O-N 2.91Å; F423-S425 PolarHBondContact O-N 3.32Å; F423-I426 HydrophobicContact CB-CD1 4.36Å; F423-I426 HydrophobicContact CD2-CD1 3.4Å; F423-I426 VanDerWaalsContact CD2-CD1 3.4Å; F423-I426 HydrophobicContact CE2-CD1 3.77Å; F423-I426 HydrophobicContact CG-CD1 3.89Å; F423-I426 WeakPolarHBondContact O-CB 3.46Å; F423-I426 WeakPolarHBondContact O-CD1 3.5Å; F423-I426 WeakPolarHBondContact O-CG1 3.37Å; F423-I426 PolarHBondContact O-N 2.66Å; F423-I434 HydrophobicContact CE2-CD1 4.1Å; F423-I434 HydrophobicContact CZ-CD1 4.48Å; F423-A462 HydrophobicContact CB-CB 4.11Å; F423-A462 HydrophobicContact CD2-CB 3.83Å; F423-A462 HydrophobicContact CG-CB 4.05Å; F423-A463 WeakPolarHBondContact CB-O 3.07Å; F423-A463 PolarHBondContact N-O 3.14Å; F423-L482 HydrophobicContact CD1-CD1 3.88Å; F423-L482 HydrophobicContact CD1-CD2 4.03Å; F423-L482 HydrophobicContact CE1-CD1 3.96Å; F423-L482 HydrophobicContact CE1-CD2 3.94Å; F423-L486 HydrophobicContact CE1-CD1 4.34Å; F423-L486 HydrophobicContact CZ-CD2 4.46Å; F423-F490 HydrophobicContact CE1-CE2 4.35Å; F423-F490 HydrophobicContact CE1-CZ 4.29Å; F423-F490 HydrophobicContact CE2-CZ 4.21Å; F423-F490 HydrophobicContact CZ-CE2 4.26Å; F423-F490 AromaticContact CZ-CZ 3.95Å; F423-F490 HydrophobicContact CZ-CZ 3.95Å |
| 424 | S | 87 | Confident | 87.6 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 26% | 0.259 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -65.7 | -18.4 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | E422 R431 T464 | E422-S424 PolarHBondContact O-N 2.96Å; S424-R431 PolarHBondContact O-NH2 3.35Å; S424-T464 VanDerWaalsContact CB-OG1 3.29Å; S424-T464 WeakPolarHBondContact CB-OG1 3.35Å; S424-T464 PolarHBondContact OG-OG1 3.37Å |
| 425 | S | 86 | Confident | 87.6 | Confident | 47 Ų | 47 | 39 Ų | 39 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -81.4 | -15.8 | 177.7 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | G384 I385 E422 F423 K427 | G384-S425 VanDerWaalsContact CA-OG 3.27Å; G384-S425 WeakPolarHBondContact CA-OG 3.31Å; I385-S425 PolarHBondContact N-OG 3.07Å; I385-S425 VanDerWaalsContact N-OG 3.14Å; E422-S425 WeakPolarHBondContact O-CB 3.43Å; E422-S425 PolarHBondContact O-N 3.32Å; E422-S425 PolarHBondContact O-OG 3.01Å; F423-S425 PolarHBondContact O-N 3.32Å; S425-K427 PolarHBondContact O-N 2.94Å |
| 426 | I | 86.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -60.2 | 134 | -178.9 | -61.7 | 170.9 | 0 | 0 | 0 | 110.4 | I420 F423 D430 R431 I434 | I420-I426 HydrophobicContact CG2-CD1 3.88Å; F423-I426 HydrophobicContact CB-CD1 4.36Å; F423-I426 HydrophobicContact CD2-CD1 3.4Å; F423-I426 VanDerWaalsContact CD2-CD1 3.4Å; F423-I426 HydrophobicContact CE2-CD1 3.77Å; F423-I426 HydrophobicContact CG-CD1 3.89Å; F423-I426 WeakPolarHBondContact O-CB 3.46Å; F423-I426 WeakPolarHBondContact O-CD1 3.5Å; F423-I426 WeakPolarHBondContact O-CG1 3.37Å; F423-I426 PolarHBondContact O-N 2.66Å; I426-D430 HydrophobicContact CG2-CB 3.62Å; I426-R431 HydrophobicContact CG2-CG 4.15Å; I426-R431 VanDerWaalsContact O-CZ 3.25Å; I426-R431 PolarHBondContact O-NE 2.89Å; I426-R431 PolarHBondContact O-NH2 3.25Å; I426-I434 HydrophobicContact CD1-CD1 4.01Å; I426-I434 HydrophobicContact CG2-CD1 4.2Å |
| 427 | K | 85.9 | Confident | 87.9 | Confident | 130 Ų | 130 | 40.3 Ų | 40.3 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | trans | -71.4 | 149.2 | -177.8 | -58.1 | 164.8 | -179.1 | 166.7 | 0 | 111 | S425 H429 D430 R431 | S425-K427 PolarHBondContact O-N 2.94Å; K427-H429 VanDerWaalsContact C-N 3.26Å; K427-H429 PolarHBondContact O-N 3.44Å; K427-H429 VanDerWaalsContact O-N 3.14Å; K427-D430 WeakPolarHBondContact CB-OD2 3.23Å; K427-D430 WeakPolarHBondContact O-CB 3.36Å; K427-D430 PolarHBondContact O-N 3.14Å; K427-R431 PolarHBondContact O-N 3.25Å | ||
| 428 | E | 83.8 | Confident | 87.9 | Confident | 155 Ų | 155 | 40.3 Ų | 40.3 | 72% | 0.724 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -58.6 | -33.8 | -171.5 | -168.1 | 160.1 | -145.3 | 0 | 0 | 114.1 | D430 R431 | E428-D430 VanDerWaalsContact C-N 3.26Å; E428-D430 PolarHBondContact O-N 3.18Å; E428-R431 WeakPolarHBondContact O-CB 3.44Å; E428-R431 PolarHBondContact O-N 2.94Å |
| 429 | H | 81.3 | Confident | 87.4 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 46% | 0.458 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -27.9 | 176.1 | 77.8 | -30.2 | 0 | 0 | 0 | 114.2 | S389 K427 | S389-H429 PolarHBondContact OG-NE2 3.41Å; K427-H429 VanDerWaalsContact C-N 3.26Å; K427-H429 PolarHBondContact O-N 3.44Å; K427-H429 VanDerWaalsContact O-N 3.14Å |
| 430 | D | 84 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -80.7 | -32.3 | 179.9 | -51.5 | -57.1 | 0 | 0 | 0 | 110.5 | S389 L392 I426 K427 E428 I432 S433 I434 | S389-D430 WeakPolarHBondContact CA-OD1 3.35Å; S389-D430 WeakPolarHBondContact CB-OD1 3.5Å; S389-D430 PolarHBondContact N-OD1 2.74Å; L392-D430 HydrophobicContact CD2-CB 4.4Å; I426-D430 HydrophobicContact CG2-CB 3.62Å; K427-D430 WeakPolarHBondContact CB-OD2 3.23Å; K427-D430 WeakPolarHBondContact O-CB 3.36Å; K427-D430 PolarHBondContact O-N 3.14Å; E428-D430 VanDerWaalsContact C-N 3.26Å; E428-D430 PolarHBondContact O-N 3.18Å; D430-I432 PolarHBondContact O-N 2.95Å; D430-S433 PolarHBondContact O-N 3.5Å; D430-I434 WeakPolarHBondContact O-CG1 3.35Å; D430-I434 PolarHBondContact O-N 2.97Å |
| 431 | R | 84.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -31.4 | 177.7 | -57.2 | 178.5 | -170.7 | -158.5 | -7.7 | 111.6 | S424 I426 K427 E428 I434 H435 | S424-R431 PolarHBondContact O-NH2 3.35Å; I426-R431 HydrophobicContact CG2-CG 4.15Å; I426-R431 VanDerWaalsContact O-CZ 3.25Å; I426-R431 PolarHBondContact O-NE 2.89Å; I426-R431 PolarHBondContact O-NH2 3.25Å; K427-R431 PolarHBondContact O-N 3.25Å; E428-R431 WeakPolarHBondContact O-CB 3.44Å; E428-R431 PolarHBondContact O-N 2.94Å; R431-I434 PolarHBondContact O-N 2.83Å; R431-H435 PolarHBondContact O-CD2 3.19Å; R431-H435 VanDerWaalsContact O-CG 3.3Å; R431-H435 PolarHBondContact O-N 2.85Å |
| 432 | I | 84.3 | Confident | 86.8 | Confident | 118 Ų | 118 | 49.2 Ų | 49.2 | 61% | 0.605 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64 | -42.5 | 174.8 | -58 | 175 | 0 | 0 | 0 | 111.2 | D430 H435 E436 | D430-I432 PolarHBondContact O-N 2.95Å; I432-H435 WeakPolarHBondContact O-CB 3.18Å; I432-H435 PolarHBondContact O-N 3.03Å; I432-E436 PolarHBondContact O-N 3.29Å |
| 433 | S | 85.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -34.2 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 112.6 | D430 H435 E436 A437 | D430-S433 PolarHBondContact O-N 3.5Å; S433-H435 VanDerWaalsContact C-N 3.32Å; S433-E436 PolarHBondContact O-N 2.98Å; S433-A437 PolarHBondContact O-N 3.02Å |
| 434 | I | 89 | Confident | 86.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 171 | -62.3 | 169.2 | 0 | 0 | 0 | 110.4 | L392 F423 I426 D430 R431 E436 A437 M438 I460 | L392-I434 HydrophobicContact CD2-CD1 3.78Å; L392-I434 HydrophobicContact CD2-CG1 3.75Å; F423-I434 HydrophobicContact CE2-CD1 4.1Å; F423-I434 HydrophobicContact CZ-CD1 4.48Å; I426-I434 HydrophobicContact CD1-CD1 4.01Å; I426-I434 HydrophobicContact CG2-CD1 4.2Å; D430-I434 WeakPolarHBondContact O-CG1 3.35Å; D430-I434 PolarHBondContact O-N 2.97Å; R431-I434 PolarHBondContact O-N 2.83Å; I434-E436 VanDerWaalsContact C-N 3.32Å; I434-E436 PolarHBondContact O-N 3.49Å; I434-A437 PolarHBondContact O-N 2.9Å; I434-M438 HydrophobicContact CG2-CG 3.99Å; I434-M438 HydrophobicContact CG2-SD 3.57Å; I434-M438 VanDerWaalsContact CG2-SD 3.57Å; I434-M438 WeakPolarHBondContact O-CB 3.28Å; I434-M438 VanDerWaalsContact O-CG 3.29Å; I434-M438 WeakPolarHBondContact O-CG 3.46Å; I434-M438 PolarHBondContact O-N 2.89Å; I434-I460 HydrophobicContact CG2-CD1 4.32Å |
| 435 | H | 87.6 | Confident | 86.6 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.199 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 174.5 | -77.4 | -55.7 | 0 | 0 | 0 | 113.2 | R431 I432 S433 E439 P485 L486 R489 | R431-H435 PolarHBondContact O-CD2 3.19Å; R431-H435 VanDerWaalsContact O-CG 3.3Å; R431-H435 PolarHBondContact O-N 2.85Å; I432-H435 WeakPolarHBondContact O-CB 3.18Å; I432-H435 PolarHBondContact O-N 3.03Å; S433-H435 VanDerWaalsContact C-N 3.32Å; H435-E439 WeakPolarHBondContact O-CB 3.46Å; H435-E439 PolarHBondContact O-N 3.46Å; H435-P485 PolarHBondContact CE1-O 3.39Å; H435-L486 WeakPolarHBondContact CE1-CD2 3.33Å; H435-L486 WeakPolarHBondContact CE1-CG 3.47Å; H435-R489 PolarHBondContact CE1-NH1 2.88Å; H435-R489 PolarHBondContact ND1-NH1 2.97Å |
| 436 | E | 88.6 | Confident | 86.6 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -49.4 | 175.7 | -162.2 | -173.9 | 174.9 | 0 | 0 | 110.7 | I432 S433 I434 E439 Q440 S444 | I432-E436 PolarHBondContact O-N 3.29Å; S433-E436 PolarHBondContact O-N 2.98Å; I434-E436 VanDerWaalsContact C-N 3.32Å; I434-E436 PolarHBondContact O-N 3.49Å; E436-E439 PolarHBondContact O-N 3.11Å; E436-Q440 WeakPolarHBondContact O-CB 3.49Å; E436-Q440 PolarHBondContact O-N 2.66Å; E436-S444 VanDerWaalsContact OE1-CB 3.28Å; E436-S444 WeakPolarHBondContact OE1-CB 3.22Å; E436-S444 PolarHBondContact OE1-N 3.13Å; E436-S444 PolarHBondContact OE1-OG 3.31Å |
| 437 | A | 89.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L410 S433 I434 E439 Q441 I443 | L410-A437 HydrophobicContact CD1-CB 4.18Å; S433-A437 PolarHBondContact O-N 3.02Å; I434-A437 PolarHBondContact O-N 2.9Å; A437-E439 VanDerWaalsContact C-N 3.33Å; A437-E439 PolarHBondContact O-N 2.97Å; A437-Q441 VanDerWaalsContact O-CA 3.24Å; A437-Q441 WeakPolarHBondContact O-CA 3.46Å; A437-Q441 PolarHBondContact O-N 2.65Å; A437-I443 HydrophobicContact CB-CD1 4.25Å; A437-I443 HydrophobicContact CB-CG1 4.03Å |
| 438 | M | 89.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -28.2 | -179.4 | -70.9 | 175.3 | 89.8 | 0 | 0 | 113.8 | R350 I434 I460 R489 F490 | R350-M438 WeakPolarHBondContact CD-O 3.49Å; R350-M438 PolarHBondContact NH1-O 3.37Å; I434-M438 HydrophobicContact CG2-CG 3.99Å; I434-M438 HydrophobicContact CG2-SD 3.57Å; I434-M438 VanDerWaalsContact CG2-SD 3.57Å; I434-M438 WeakPolarHBondContact O-CB 3.28Å; I434-M438 VanDerWaalsContact O-CG 3.29Å; I434-M438 WeakPolarHBondContact O-CG 3.46Å; I434-M438 PolarHBondContact O-N 2.89Å; M438-I460 HydrophobicContact CG-CD1 3.66Å; M438-I460 HydrophobicContact SD-CD1 4.44Å; M438-R489 HydrophobicContact CB-CB 4.47Å; M438-R489 HydrophobicContact CE-CB 3.67Å; M438-R489 HydrophobicContact SD-CB 4.27Å; M438-F490 HydrophobicContact CE-CD1 3.97Å; M438-F490 HydrophobicContact CE-CD2 3.86Å; M438-F490 HydrophobicContact CE-CE1 3.84Å; M438-F490 HydrophobicContact CE-CE2 3.73Å; M438-F490 HydrophobicContact CE-CG 3.98Å; M438-F490 HydrophobicContact CE-CZ 3.72Å |
| 439 | E | 83 | Confident | 86.1 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -94 | -49.1 | -177.1 | -166 | 85.4 | -159.4 | 0 | 0 | 112 | H435 E436 A437 R489 R574 | H435-E439 WeakPolarHBondContact O-CB 3.46Å; H435-E439 PolarHBondContact O-N 3.46Å; E436-E439 PolarHBondContact O-N 3.11Å; A437-E439 VanDerWaalsContact C-N 3.33Å; A437-E439 PolarHBondContact O-N 2.97Å; E439-R489 IonicContact OE2-CZ 3.93Å; E439-R489 IonicContact OE2-NE 3.65Å; E439-R489 PolarHBondContact OE2-NE 2.88Å; E439-R489 IonicContact OE2-NH2 2.78Å; E439-R489 PolarHBondContact OE2-NH2 2.87Å; E439-R574 IonicContact OE1-CZ 3.77Å; E439-R574 IonicContact OE1-NE 3.92Å; E439-R574 PolarHBondContact OE1-NE 3.48Å; E439-R574 IonicContact OE1-NH2 2.67Å; E439-R574 PolarHBondContact OE1-NH2 3.28Å; E439-R574 IonicContact OE2-CZ 3.22Å; E439-R574 IonicContact OE2-NE 2.69Å; E439-R574 IonicContact OE2-NH2 2.67Å; E439-R574 PolarHBondContact OE2-NH2 3.04Å |
| 440 | Q | 87.2 | Confident | 85.9 | Confident | 115 Ų | 115 | 41.6 Ų | 41.6 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -97.7 | -11.8 | -171.6 | -57.5 | -172.9 | 20.6 | 0 | 0 | 113.3 | E436 S442 | E436-Q440 WeakPolarHBondContact O-CB 3.49Å; E436-Q440 PolarHBondContact O-N 2.66Å; Q440-S442 PolarHBondContact O-N 3.4Å; Q440-S442 VanDerWaalsContact O-N 3.16Å |
| 441 | Q | 89.4 | Confident | 86 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 52.7 | 29 | -170.1 | -51.5 | -158.8 | -80.7 | 0 | 0 | 113.4 | R350 A437 T456 R457 | R350-Q441 HydrophobicContact CB-CG 4.15Å; R350-Q441 HydrophobicContact CG-CG 4.14Å; A437-Q441 VanDerWaalsContact O-CA 3.24Å; A437-Q441 WeakPolarHBondContact O-CA 3.46Å; A437-Q441 PolarHBondContact O-N 2.65Å; Q441-T456 CarbonylContact O-C 3.59Å; Q441-T456 PolarHBondContact O-N 3.21Å; Q441-R457 HydrophobicContact CB-CG 4.11Å |
| 442 | S | 89.4 | Confident | 85.8 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.7 | 173.6 | 69.6 | 0 | 0 | 0 | 0 | 110.3 | Q440 L454 T456 | Q440-S442 PolarHBondContact O-N 3.4Å; Q440-S442 VanDerWaalsContact O-N 3.16Å; S442-L454 CarbonylContact C-O 3.53Å; S442-L454 WeakPolarHBondContact CA-O 3.38Å; S442-L454 WeakPolarHBondContact CB-O 3.48Å; S442-T456 PolarHBondContact N-OG1 2.8Å |
| 443 | I | 88.8 | Confident | 85.9 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.7 | 170.2 | -60.4 | 176.6 | 0 | 0 | 0 | 108.4 | T393 L410 A437 V445 L454 T456 | T393-I443 HydrophobicContact CG2-CD1 4.19Å; L410-I443 HydrophobicContact CB-CD1 4.15Å; L410-I443 HydrophobicContact CD1-CD1 4.05Å; A437-I443 HydrophobicContact CB-CD1 4.25Å; A437-I443 HydrophobicContact CB-CG1 4.03Å; I443-V445 HydrophobicContact CG2-CG2 3.92Å; I443-L454 PolarHBondContact N-O 3.32Å; I443-L454 PolarHBondContact O-N 3.45Å; I443-T456 HydrophobicContact CB-CG2 4.43Å; I443-T456 HydrophobicContact CD1-CG2 3.79Å; I443-T456 HydrophobicContact CG1-CG2 3.78Å |
| 444 | S | 87.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 49 Ų | 49 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.2 | 170.7 | 63.8 | 0 | 0 | 0 | 0 | 111 | E436 | E436-S444 VanDerWaalsContact OE1-CB 3.28Å; E436-S444 WeakPolarHBondContact OE1-CB 3.22Å; E436-S444 PolarHBondContact OE1-N 3.13Å; E436-S444 PolarHBondContact OE1-OG 3.31Å |
| 445 | V | 86.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 111 | -174.1 | -174.6 | 0 | 0 | 0 | 0 | 109 | V394 I443 K447 V451 C452 L454 | V394-V445 HydrophobicContact CB-CG1 4.44Å; V394-V445 HydrophobicContact CB-CG2 4.07Å; V394-V445 HydrophobicContact CG1-CG1 4.38Å; V394-V445 HydrophobicContact CG2-CG2 4.12Å; I443-V445 HydrophobicContact CG2-CG2 3.92Å; V445-K447 HydrophobicContact CG1-CB 4.11Å; V445-K447 HydrophobicContact CG1-CD 3.75Å; V445-K447 HydrophobicContact CG1-CG 3.74Å; V445-V451 WeakPolarHBondContact O-CA 3.48Å; V445-C452 PolarHBondContact N-O 2.79Å; V445-C452 PolarHBondContact O-N 3.23Å; V445-L454 HydrophobicContact CG2-CD1 4.41Å |
| 446 | A | 86.3 | Confident | 85.8 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 67% | 0.669 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 83.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | M450 V451 | A446-M450 CarbonylContact C-O 3.5Å; A446-M450 WeakPolarHBondContact CA-O 3.4Å; A446-V451 HydrophobicContact CB-CG2 4.15Å |
| 447 | K | 84.7 | Confident | 85.7 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.8 | -175 | -64.5 | -178 | -172.3 | 176.4 | 0 | 110.2 | V394 A396 V445 G449 M450 | V394-K447 PolarHBondContact O-NZ 2.96Å; A396-K447 HydrophobicContact CB-CB 3.87Å; V445-K447 HydrophobicContact CG1-CB 4.11Å; V445-K447 HydrophobicContact CG1-CD 3.75Å; V445-K447 HydrophobicContact CG1-CG 3.74Å; K447-G449 PolarHBondContact O-N 2.99Å; K447-G449 VanDerWaalsContact O-N 3.08Å; K447-M450 PolarHBondContact N-O 2.62Å; K447-M450 WeakPolarHBondContact O-CA 3.39Å; K447-M450 WeakPolarHBondContact O-CB 3.28Å; K447-M450 PolarHBondContact O-N 2.9Å |
| 448 | A | 83.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A396 W403 M450 | A396-A448 HydrophobicContact CB-CB 4.14Å; W403-A448 HydrophobicContact CB-CB 4.18Å; W403-A448 HydrophobicContact CD2-CB 3.4Å; W403-A448 HydrophobicContact CE3-CB 3.58Å; W403-A448 HydrophobicContact CG-CB 3.68Å; W403-A448 HydrophobicContact CH2-CB 4.38Å; W403-A448 HydrophobicContact CZ2-CB 4.23Å; W403-A448 HydrophobicContact CZ3-CB 4.07Å; A448-M450 PolarHBondContact O-N 2.98Å |
| 449 | G | 79.3 | Confident | 85.8 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -7.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K447 | K447-G449 PolarHBondContact O-N 2.99Å; K447-G449 VanDerWaalsContact O-N 3.08Å |
| 450 | M | 77.5 | Confident | 86.4 | Confident | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.7 | 169.2 | -50.6 | 179.3 | 77.4 | 0 | 0 | 108.7 | V143 W403 L405 A446 K447 A448 | V143-M450 HydrophobicContact CG2-CE 3.58Å; W403-M450 HydrophobicContact CB-SD 3.97Å; L405-M450 HydrophobicContact CD1-CE 3.82Å; L405-M450 HydrophobicContact CD1-SD 4.37Å; L405-M450 HydrophobicContact CD2-CE 4.43Å; L405-M450 HydrophobicContact CD2-SD 3.94Å; L405-M450 HydrophobicContact CG-CE 3.65Å; L405-M450 HydrophobicContact CG-SD 3.79Å; A446-M450 CarbonylContact C-O 3.5Å; A446-M450 WeakPolarHBondContact CA-O 3.4Å; K447-M450 PolarHBondContact N-O 2.62Å; K447-M450 WeakPolarHBondContact O-CA 3.39Å; K447-M450 WeakPolarHBondContact O-CB 3.28Å; K447-M450 PolarHBondContact O-N 2.9Å; A448-M450 PolarHBondContact O-N 2.98Å |
| 451 | V | 84.6 | Confident | 86.7 | Confident | 123 Ų | 123 | 44.6 Ų | 44.6 | 75% | 0.745 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 108.6 | 174 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | V445 A446 | V445-V451 WeakPolarHBondContact O-CA 3.48Å; A446-V451 HydrophobicContact CB-CG2 4.15Å |
| 452 | C | 81.8 | Confident | 86.9 | Confident | 33 Ų | 33 | 44 Ų | 44 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.5 | 178.3 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | L405 V445 | L405-C452 WeakPolarHBondContact CD1-SG 3.09Å; V445-C452 PolarHBondContact N-O 2.79Å; V445-C452 PolarHBondContact O-N 3.23Å |
| 453 | K | 85.9 | Confident | 87.1 | Confident | 149 Ų | 149 | 43.3 Ų | 43.3 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.6 | 163.9 | -69.2 | -167.5 | 174.6 | -161.8 | 0 | 107.5 | ||
| 454 | L | 85.7 | Confident | 87.2 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135 | -178.5 | -66.3 | 164 | 0 | 0 | 0 | 108.2 | V394 V411 S442 I443 V445 | V394-L454 HydrophobicContact CG2-CD1 3.6Å; V411-L454 HydrophobicContact CG2-CB 4.44Å; S442-L454 CarbonylContact C-O 3.53Å; S442-L454 WeakPolarHBondContact CA-O 3.38Å; S442-L454 WeakPolarHBondContact CB-O 3.48Å; I443-L454 PolarHBondContact N-O 3.32Å; I443-L454 PolarHBondContact O-N 3.45Å; V445-L454 HydrophobicContact CG2-CD1 4.41Å |
| 455 | N | 84.9 | Confident | 87.3 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 141.6 | -179 | -64 | -19 | 0 | 0 | 0 | 110 | ||
| 456 | T | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -140.7 | 63.5 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | L410 V411 Q441 S442 I443 T458 | L410-T456 HydrophobicContact CB-CG2 4.29Å; L410-T456 WeakPolarHBondContact O-CB 3.46Å; L410-T456 VanDerWaalsContact O-CG2 3.3Å; L410-T456 WeakPolarHBondContact O-CG2 3.37Å; V411-T456 HydrophobicContact CG2-CG2 3.87Å; Q441-T456 CarbonylContact O-C 3.59Å; Q441-T456 PolarHBondContact O-N 3.21Å; S442-T456 PolarHBondContact N-OG1 2.8Å; I443-T456 HydrophobicContact CB-CG2 4.43Å; I443-T456 HydrophobicContact CD1-CG2 3.79Å; I443-T456 HydrophobicContact CG1-CG2 3.78Å; T456-T458 PolarHBondContact O-N 3.34Å | ||
| 457 | R | 87.7 | Confident | 87.1 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | trans | -79.4 | 56.5 | 176.6 | -55.6 | 168.5 | -67.8 | 164.5 | 0.7 | 109.6 | D414 G415 Q441 | D414-R457 WeakPolarHBondContact OD1-CA 3.35Å; D414-R457 WeakPolarHBondContact OD1-CB 3.46Å; D414-R457 WeakPolarHBondContact OD1-CG 3.32Å; D414-R457 IonicContact OD1-CZ 3.79Å; D414-R457 PolarHBondContact OD1-N 3.06Å; D414-R457 IonicContact OD1-NE 3.46Å; D414-R457 PolarHBondContact OD1-NE 3.24Å; D414-R457 IonicContact OD1-NH2 2.73Å; D414-R457 IonicContact OD2-CZ 2.71Å; D414-R457 IonicContact OD2-NE 3.34Å; D414-R457 PolarHBondContact OD2-NE 2.97Å; D414-R457 IonicContact OD2-NH2 3.53Å; D414-R457 PolarHBondContact OD2-NH2 2.91Å; G415-R457 VanDerWaalsContact CA-O 3.28Å; G415-R457 WeakPolarHBondContact CA-O 3.48Å; G415-R457 PolarHBondContact N-O 3.25Å; Q441-R457 HydrophobicContact CB-CG 4.11Å | ||
| 458 | T | 89.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 132.7 | -172.3 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | H354 L410 S413 T456 I460 | H354-T458 PolarHBondContact CE1-O 3.37Å; L410-T458 WeakPolarHBondContact O-CG2 3.46Å; S413-T458 WeakPolarHBondContact O-CG2 3.34Å; S413-T458 WeakPolarHBondContact OG-CG2 3.49Å; T456-T458 PolarHBondContact O-N 3.34Å; T458-I460 PolarHBondContact O-N 3.33Å |
| 459 | T | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.7 | 160 | -93.5 | 0 | 0 | 0 | 0 | 108.6 | V334 E352 C353 G416 L417 C418 | V334-T459 HydrophobicContact CG1-CG2 3.54Å; E352-T459 PolarHBondContact OE2-OG1 3.45Å; E352-T459 VanDerWaalsContact OE2-OG1 3.12Å; C353-T459 WeakPolarHBondContact O-CB 3.37Å; C353-T459 VanDerWaalsContact O-CG2 3.31Å; C353-T459 WeakPolarHBondContact O-CG2 3.03Å; C353-T459 PolarHBondContact O-OG1 3.14Å; G416-T459 PolarHBondContact O-N 2.94Å; L417-T459 HydrophobicContact CD1-CG2 3.79Å; C418-T459 PolarHBondContact N-O 3.03Å |
| 460 | I | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.1 | 174.3 | -56.8 | -173 | 0 | 0 | 0 | 109.3 | H354 L355 L410 I420 I434 M438 T458 F490 | H354-I460 WeakPolarHBondContact CA-O 2.99Å; H354-I460 PolarHBondContact ND1-N 3.08Å; L355-I460 PolarHBondContact N-O 2.81Å; L355-I460 VanDerWaalsContact N-O 3.13Å; L410-I460 HydrophobicContact CD2-CD1 4.16Å; I420-I460 HydrophobicContact CD1-CG2 4.03Å; I434-I460 HydrophobicContact CG2-CD1 4.32Å; M438-I460 HydrophobicContact CG-CD1 3.66Å; M438-I460 HydrophobicContact SD-CD1 4.44Å; T458-I460 PolarHBondContact O-N 3.33Å; I460-F490 HydrophobicContact CG2-CE1 4.34Å |
| 461 | L | 94.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106.9 | 172.2 | -178.2 | 65.3 | 0 | 0 | 0 | 108.6 | L355 L369 A372 L417 C418 C419 I420 | L355-L461 HydrophobicContact CB-CD1 3.75Å; L355-L461 HydrophobicContact CD2-CD1 3.63Å; L355-L461 HydrophobicContact CG-CD1 3.7Å; L369-L461 HydrophobicContact CD2-CB 4.41Å; L369-L461 HydrophobicContact CD2-CD2 3.78Å; L369-L461 HydrophobicContact CD2-CG 3.59Å; A372-L461 HydrophobicContact CB-CD2 3.64Å; L417-L461 HydrophobicContact CD1-CB 3.75Å; L417-L461 HydrophobicContact CD1-CD2 4.48Å; C418-L461 PolarHBondContact O-N 3.03Å; C419-L461 CarbonylContact C-O 3.59Å; C419-L461 WeakPolarHBondContact CA-O 3.37Å; I420-L461 PolarHBondContact N-O 3.45Å |
| 462 | A | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L355 L356 L357 I420 F423 F490 | L355-A462 PolarHBondContact O-N 3.06Å; L356-A462 CarbonylContact C-O 3.56Å; L356-A462 WeakPolarHBondContact CA-O 3.33Å; L356-A462 HydrophobicContact CD1-CB 3.56Å; L357-A462 PolarHBondContact N-O 2.93Å; I420-A462 CarbonylContact O-C 3.24Å; I420-A462 WeakPolarHBondContact O-CA 3.47Å; F423-A462 HydrophobicContact CB-CB 4.11Å; F423-A462 HydrophobicContact CD2-CB 3.83Å; F423-A462 HydrophobicContact CG-CB 4.05Å; A462-F490 HydrophobicContact CB-CE1 3.97Å; A462-F490 HydrophobicContact CB-CZ 4.13Å |
| 463 | A | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L357 K365 L369 I420 E422 F423 | L357-A463 WeakPolarHBondContact O-CA 3.38Å; K365-A463 HydrophobicContact CB-CB 4.25Å; L369-A463 HydrophobicContact CD1-CB 3.7Å; L369-A463 HydrophobicContact CD2-CB 4.47Å; L369-A463 HydrophobicContact CG-CB 4.21Å; I420-A463 PolarHBondContact O-N 3.22Å; E422-A463 PolarHBondContact N-O 2.92Å; F423-A463 WeakPolarHBondContact CB-O 3.07Å; F423-A463 PolarHBondContact N-O 3.14Å |
| 464 | T | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.5 | 177.4 | -172 | 0 | 0 | 0 | 0 | 111.6 | L356 L357 V358 G359 S424 V480 | L356-T464 HydrophobicContact CD1-CG2 3.71Å; L356-T464 HydrophobicContact CD2-CG2 4.4Å; L356-T464 HydrophobicContact CG-CG2 4.13Å; L357-T464 PolarHBondContact O-N 3.38Å; V358-T464 WeakPolarHBondContact CA-O 3.5Å; V358-T464 HydrophobicContact CB-CG2 4.27Å; V358-T464 HydrophobicContact CG1-CG2 4.46Å; V358-T464 HydrophobicContact CG2-CG2 3.77Å; G359-T464 PolarHBondContact N-O 3.13Å; G359-T464 VanDerWaalsContact N-O 3.15Å; S424-T464 VanDerWaalsContact CB-OG1 3.29Å; S424-T464 WeakPolarHBondContact CB-OG1 3.35Å; S424-T464 PolarHBondContact OG-OG1 3.37Å; T464-V480 HydrophobicContact CG2-CG1 3.48Å; T464-V480 VanDerWaalsContact CG2-CG1 3.48Å |
| 465 | N | 89.6 | Confident | 85.5 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | trans | -97.7 | 143.2 | 171.1 | -54.9 | -37.8 | 0 | 0 | 0 | 108.9 | G359 K365 | G359-N465 WeakPolarHBondContact O-CA 3.33Å; G359-N465 PolarHBondContact O-OD1 3.28Å; K365-N465 WeakPolarHBondContact CE-OD1 3.42Å | ||
| 466 | P | 86.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -68.5 | 163.5 | 173.1 | 28.8 | -32.8 | 0 | 0 | 0 | 111.4 | G359 G468 Y470 N479 | G359-P466 WeakPolarHBondContact O-CD 3.3Å; P466-G468 VanDerWaalsContact C-N 3.34Å; P466-G468 WeakPolarHBondContact CG-O 3.43Å; P466-G468 PolarHBondContact O-N 3.35Å; P466-Y470 HydrophobicContact CB-CD2 4.14Å; P466-Y470 HydrophobicContact CG-CD2 4.44Å; P466-N479 WeakPolarHBondContact CA-O 3.26Å; P466-N479 WeakPolarHBondContact CB-O 3.46Å | ||
| 467 | K | 81.3 | Confident | 84.9 | Confident | 165 Ų | 165 | 49.1 Ų | 49.1 | 72% | 0.717 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -82.5 | 77.2 | 177.9 | -76.3 | -165.5 | 178 | 170.6 | 0 | 111.7 | N479 A481 | K467-N479 PolarHBondContact N-O 3.11Å; K467-A481 HydrophobicContact CD-CB 3.62Å; K467-A481 VanDerWaalsContact CE-CB 3.4Å; K467-A481 HydrophobicContact CG-CB 4.22Å |
| 468 | G | 80.9 | Confident | 84.7 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 100.2 | -154.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P466 | P466-G468 VanDerWaalsContact C-N 3.34Å; P466-G468 WeakPolarHBondContact CG-O 3.43Å; P466-G468 PolarHBondContact O-N 3.35Å |
| 469 | Q | 76.4 | Confident | 84.4 | Confident | 179 Ų | 179 | 49.1 Ų | 49.1 | 84% | 0.836 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -71.9 | 146.6 | 173.2 | -71.3 | 177.3 | -29.7 | 0 | 0 | 110.6 | D471 | Q469-D471 PolarHBondContact O-N 3.28Š|
| 470 | Y | 80.6 | Confident | 83.9 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 9% | 0.09 | 28% | 0.281 | C | S | . | . | trans | -75.1 | 120.9 | 179.2 | -164.8 | -82.4 | 0 | 0 | 0 | 111.9 | V358 P466 P472 L476 N479 V495 L497 Q612 | V358-Y470 HydrophobicContact CG1-CE2 4.28Å; P466-Y470 HydrophobicContact CB-CD2 4.14Å; P466-Y470 HydrophobicContact CG-CD2 4.44Å; Y470-P472 WeakPolarHBondContact O-CD 3.34Å; Y470-L476 HydrophobicContact CE2-CD1 4.03Å; Y470-L476 VanDerWaalsContact OH-CD1 3.27Å; Y470-L476 WeakPolarHBondContact OH-CD1 3.11Å; Y470-N479 HydrophobicContact CD2-CB 4.02Å; Y470-N479 WeakPolarHBondContact CE1-ND2 3.39Å; Y470-N479 HydrophobicContact CE2-CB 3.72Å; Y470-N479 VanDerWaalsContact CZ-ND2 3.28Å; Y470-V495 HydrophobicContact CD2-CG1 4.01Å; Y470-V495 HydrophobicContact CE1-CG1 4.19Å; Y470-V495 HydrophobicContact CE2-CG1 3.64Å; Y470-V495 HydrophobicContact CG-CG1 4.44Å; Y470-L497 HydrophobicContact CD1-CD2 3.38Å; Y470-L497 HydrophobicContact CD2-CD2 4.17Å; Y470-L497 HydrophobicContact CE1-CD2 4.04Å; Y470-L497 HydrophobicContact CG-CD2 3.44Å; Y470-L497 VanDerWaalsContact CG-CD2 3.44Å; Y470-Q612 PolarHBondContact OH-OE1 3.27Å | ||
| 471 | D | 80.3 | Confident | 83.3 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | trans | -96.7 | 110.9 | 175.4 | -176.8 | -11.8 | 0 | 0 | 0 | 110.6 | Q469 S473 Q474 N479 | Q469-D471 PolarHBondContact O-N 3.28Å; D471-S473 VanDerWaalsContact CG-OG 3.24Å; D471-S473 PolarHBondContact O-N 3.45Å; D471-S473 VanDerWaalsContact OD1-CB 3.31Å; D471-S473 WeakPolarHBondContact OD1-CB 3.27Å; D471-S473 PolarHBondContact OD1-N 2.66Å; D471-S473 PolarHBondContact OD1-OG 3.19Å; D471-S473 PolarHBondContact OD2-OG 2.79Å; D471-Q474 HydrophobicContact CB-CB 4.33Å; D471-Q474 HydrophobicContact CB-CG 4.32Å; D471-Q474 PolarHBondContact O-N 2.75Å; D471-Q474 PolarHBondContact OD2-NE2 3.21Å; D471-N479 PolarHBondContact O-ND2 3.46Å | ||
| 472 | P | 76.9 | Confident | 82.8 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.6 | -179.3 | 31.3 | -36.3 | 0 | 0 | 0 | 113.9 | Y470 | Y470-P472 WeakPolarHBondContact O-CD 3.34Š|
| 473 | S | 77.2 | Confident | 82.2 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 70% | 0.699 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17 | 174.1 | 75.5 | 0 | 0 | 0 | 0 | 113.3 | D471 | D471-S473 VanDerWaalsContact CG-OG 3.24Å; D471-S473 PolarHBondContact O-N 3.45Å; D471-S473 VanDerWaalsContact OD1-CB 3.31Å; D471-S473 WeakPolarHBondContact OD1-CB 3.27Å; D471-S473 PolarHBondContact OD1-N 2.66Å; D471-S473 PolarHBondContact OD1-OG 3.19Å; D471-S473 PolarHBondContact OD2-OG 2.79Å |
| 474 | Q | 80.1 | Confident | 81.6 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -99.2 | 147.9 | -178.6 | -71.4 | -175.5 | 63.4 | 0 | 0 | 112.2 | D471 N479 | D471-Q474 HydrophobicContact CB-CB 4.33Å; D471-Q474 HydrophobicContact CB-CG 4.32Å; D471-Q474 PolarHBondContact O-N 2.75Å; D471-Q474 PolarHBondContact OD2-NE2 3.21Å; Q474-N479 WeakPolarHBondContact CB-OD1 3.29Å; Q474-N479 PolarHBondContact O-ND2 3.15Å |
| 475 | P | 77.7 | Confident | 81.3 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | trans | -68.1 | 140.7 | 178.7 | 28.2 | -34.3 | 0 | 0 | 0 | 111.5 | S477 V478 N479 | P475-S477 PolarHBondContact O-N 3.04Å; P475-V478 HydrophobicContact CG-CG2 3.97Å; P475-V478 WeakPolarHBondContact O-CB 3.35Å; P475-V478 PolarHBondContact O-N 3.11Å; P475-N479 PolarHBondContact O-N 2.7Å | ||
| 476 | L | 78 | Confident | 81.1 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -48.2 | -33.7 | -177.3 | -178.2 | 67 | 0 | 0 | 0 | 114.6 | Y470 V478 N479 V480 L487 V493 V495 | Y470-L476 HydrophobicContact CE2-CD1 4.03Å; Y470-L476 VanDerWaalsContact OH-CD1 3.27Å; Y470-L476 WeakPolarHBondContact OH-CD1 3.11Å; L476-V478 VanDerWaalsContact C-N 3.3Å; L476-V478 PolarHBondContact O-N 2.87Å; L476-N479 PolarHBondContact O-N 2.85Å; L476-V480 HydrophobicContact CD1-CG2 3.63Å; L476-V480 HydrophobicContact CG-CG2 4.23Å; L476-V480 WeakPolarHBondContact O-CG2 3.34Å; L476-V480 PolarHBondContact O-N 3.31Å; L476-L487 HydrophobicContact CG-CD1 4.45Å; L476-V493 HydrophobicContact CD2-CB 4.47Å; L476-V493 HydrophobicContact CD2-CG1 3.92Å; L476-V495 HydrophobicContact CD1-CG2 3.94Å |
| 477 | S | 81.4 | Confident | 81 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 176.4 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | P475 A481 L482 | P475-S477 PolarHBondContact O-N 3.04Å; S477-A481 VanDerWaalsContact O-CA 3.23Å; S477-A481 WeakPolarHBondContact O-CA 3.09Å; S477-A481 PolarHBondContact O-N 3.04Å; S477-A481 VanDerWaalsContact O-N 3.11Å; S477-L482 PolarHBondContact O-N 3.23Å |
| 478 | V | 83.1 | Confident | 81.1 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -78.1 | -50.8 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | P475 L476 V480 A481 | P475-V478 HydrophobicContact CG-CG2 3.97Å; P475-V478 WeakPolarHBondContact O-CB 3.35Å; P475-V478 PolarHBondContact O-N 3.11Å; L476-V478 VanDerWaalsContact C-N 3.3Å; L476-V478 PolarHBondContact O-N 2.87Å; V478-V480 VanDerWaalsContact C-N 3.29Å; V478-V480 PolarHBondContact O-N 3.38Å; V478-A481 PolarHBondContact O-N 3.35Å |
| 479 | N | 83.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 49 Ų | 49 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -39.6 | -177.9 | -68.8 | -12.2 | 0 | 0 | 0 | 113.2 | P466 K467 Y470 D471 Q474 P475 L476 | P466-N479 WeakPolarHBondContact CA-O 3.26Å; P466-N479 WeakPolarHBondContact CB-O 3.46Å; K467-N479 PolarHBondContact N-O 3.11Å; Y470-N479 HydrophobicContact CD2-CB 4.02Å; Y470-N479 WeakPolarHBondContact CE1-ND2 3.39Å; Y470-N479 HydrophobicContact CE2-CB 3.72Å; Y470-N479 VanDerWaalsContact CZ-ND2 3.28Å; D471-N479 PolarHBondContact O-ND2 3.46Å; Q474-N479 WeakPolarHBondContact CB-OD1 3.29Å; Q474-N479 PolarHBondContact O-ND2 3.15Å; P475-N479 PolarHBondContact O-N 2.7Å; L476-N479 PolarHBondContact O-N 2.85Å |
| 480 | V | 81.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -12 | 179.2 | -164.1 | 0 | 0 | 0 | 0 | 112.1 | V358 T464 L476 V478 L482 | V358-V480 HydrophobicContact CB-CG2 4.47Å; V358-V480 HydrophobicContact CG1-CG2 3.57Å; V358-V480 HydrophobicContact CG2-CG2 4Å; T464-V480 HydrophobicContact CG2-CG1 3.48Å; T464-V480 VanDerWaalsContact CG2-CG1 3.48Å; L476-V480 HydrophobicContact CD1-CG2 3.63Å; L476-V480 HydrophobicContact CG-CG2 4.23Å; L476-V480 WeakPolarHBondContact O-CG2 3.34Å; L476-V480 PolarHBondContact O-N 3.31Å; V478-V480 VanDerWaalsContact C-N 3.29Å; V478-V480 PolarHBondContact O-N 3.38Å; V480-L482 VanDerWaalsContact C-N 3.25Å; V480-L482 HydrophobicContact CB-CG 4.43Å; V480-L482 HydrophobicContact CG1-CD1 3.64Å; V480-L482 HydrophobicContact CG1-CG 3.87Å; V480-L482 PolarHBondContact O-N 3.11Å |
| 481 | A | 82.6 | Confident | 82.6 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 42.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K467 S477 V478 | K467-A481 HydrophobicContact CD-CB 3.62Å; K467-A481 VanDerWaalsContact CE-CB 3.4Å; K467-A481 HydrophobicContact CG-CB 4.22Å; S477-A481 VanDerWaalsContact O-CA 3.23Å; S477-A481 WeakPolarHBondContact O-CA 3.09Å; S477-A481 PolarHBondContact O-N 3.04Å; S477-A481 VanDerWaalsContact O-N 3.11Å; V478-A481 PolarHBondContact O-N 3.35Å |
| 482 | L | 82.4 | Confident | 83 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -110.7 | 137.4 | 172.7 | -67 | 176.9 | 0 | 0 | 0 | 109.7 | L356 F423 S477 V480 L486 L487 | L356-L482 HydrophobicContact CD2-CD1 3.97Å; F423-L482 HydrophobicContact CD1-CD1 3.88Å; F423-L482 HydrophobicContact CD1-CD2 4.03Å; F423-L482 HydrophobicContact CE1-CD1 3.96Å; F423-L482 HydrophobicContact CE1-CD2 3.94Å; S477-L482 PolarHBondContact O-N 3.23Å; V480-L482 VanDerWaalsContact C-N 3.25Å; V480-L482 HydrophobicContact CB-CG 4.43Å; V480-L482 HydrophobicContact CG1-CD1 3.64Å; V480-L482 HydrophobicContact CG1-CG 3.87Å; V480-L482 PolarHBondContact O-N 3.11Å; L482-L486 HydrophobicContact CD2-CD1 4.06Å; L482-L487 HydrophobicContact CB-CD1 4.43Å; L482-L487 HydrophobicContact CB-CD2 4.26Å; L482-L487 HydrophobicContact CB-CG 4.16Å; L482-L487 HydrophobicContact CD1-CD2 4.11Å | ||
| 483 | A | 81.9 | Confident | 83.6 | Confident | 55 Ų | 55 | 33.5 Ų | 33.5 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | trans | -63.1 | 141.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P485 L486 L487 | A483-P485 VanDerWaalsContact C-CD 3.45Å; A483-P485 VanDerWaalsContact C-N 3.28Å; A483-P485 VanDerWaalsContact O-N 3.16Å; A483-L486 WeakPolarHBondContact O-CB 2.86Å; A483-L486 PolarHBondContact O-N 2.69Å; A483-L487 PolarHBondContact O-N 3.32Å | ||
| 484 | S | 81.3 | Confident | 84.1 | Confident | 50 Ų | 50 | 28.8 Ų | 28.8 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -45.6 | -44.3 | 177.1 | 152.5 | 0 | 0 | 0 | 0 | 113.6 | L486 L487 S488 A569 | S484-L486 PolarHBondContact O-N 3.44Å; S484-L486 VanDerWaalsContact O-N 3.13Å; S484-L487 PolarHBondContact O-N 3.13Å; S484-L487 VanDerWaalsContact O-N 3.08Å; S484-S488 PolarHBondContact O-N 3.15Å; S484-A569 WeakPolarHBondContact OG-CB 3.41Å |
| 485 | P | 83.8 | Confident | 84.3 | Confident | 63 Ų | 63 | 26 Ų | 26 | 41% | 0.409 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65 | -12 | 177 | -24.8 | 35.9 | 0 | 0 | 0 | 116.7 | H435 A483 R489 | H435-P485 PolarHBondContact CE1-O 3.39Å; A483-P485 VanDerWaalsContact C-CD 3.45Å; A483-P485 VanDerWaalsContact C-N 3.28Å; A483-P485 VanDerWaalsContact O-N 3.16Å; P485-R489 WeakPolarHBondContact O-CD 3.33Å; P485-R489 PolarHBondContact O-NH1 2.86Å |
| 486 | L | 84.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -83.4 | -49.9 | 166.8 | -77.4 | 170 | 0 | 0 | 0 | 109.8 | F423 H435 L482 A483 S484 S488 R489 F490 | F423-L486 HydrophobicContact CE1-CD1 4.34Å; F423-L486 HydrophobicContact CZ-CD2 4.46Å; H435-L486 WeakPolarHBondContact CE1-CD2 3.33Å; H435-L486 WeakPolarHBondContact CE1-CG 3.47Å; L482-L486 HydrophobicContact CD2-CD1 4.06Å; A483-L486 WeakPolarHBondContact O-CB 2.86Å; A483-L486 PolarHBondContact O-N 2.69Å; S484-L486 PolarHBondContact O-N 3.44Å; S484-L486 VanDerWaalsContact O-N 3.13Å; L486-S488 PolarHBondContact O-N 3.31Å; L486-R489 WeakPolarHBondContact O-CB 3.24Å; L486-R489 PolarHBondContact O-N 3.07Å; L486-F490 WeakPolarHBondContact O-CD2 3.31Å |
| 487 | L | 84.4 | Confident | 84.8 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -32.1 | -177.6 | -65.8 | 174.7 | 0 | 0 | 0 | 112.4 | L356 L476 L482 A483 S484 R489 | L356-L487 HydrophobicContact CD2-CD2 3.71Å; L476-L487 HydrophobicContact CG-CD1 4.45Å; L482-L487 HydrophobicContact CB-CD1 4.43Å; L482-L487 HydrophobicContact CB-CD2 4.26Å; L482-L487 HydrophobicContact CB-CG 4.16Å; L482-L487 HydrophobicContact CD1-CD2 4.11Å; A483-L487 PolarHBondContact O-N 3.32Å; S484-L487 PolarHBondContact O-N 3.13Å; S484-L487 VanDerWaalsContact O-N 3.08Å; L487-R489 PolarHBondContact O-N 2.69Å |
| 488 | S | 84.3 | Confident | 84.8 | Confident | 19 Ų | 19 | 26.7 Ų | 26.7 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 5.6 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 115 | S484 L486 R574 | S484-S488 PolarHBondContact O-N 3.15Å; L486-S488 PolarHBondContact O-N 3.31Å; S488-R574 VanDerWaalsContact O-CD 3.32Å; S488-R574 WeakPolarHBondContact O-CD 3.4Å |
| 489 | R | 88.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -11.5 | 180 | -68.8 | 177.3 | 160.9 | 108.8 | -6.6 | 114.3 | R350 H435 M438 E439 P485 L486 L487 | R350-R489 PolarHBondContact NH1-O 3.47Å; H435-R489 PolarHBondContact CE1-NH1 2.88Å; H435-R489 PolarHBondContact ND1-NH1 2.97Å; M438-R489 HydrophobicContact CB-CB 4.47Å; M438-R489 HydrophobicContact CE-CB 3.67Å; M438-R489 HydrophobicContact SD-CB 4.27Å; E439-R489 IonicContact OE2-CZ 3.93Å; E439-R489 IonicContact OE2-NE 3.65Å; E439-R489 PolarHBondContact OE2-NE 2.88Å; E439-R489 IonicContact OE2-NH2 2.78Å; E439-R489 PolarHBondContact OE2-NH2 2.87Å; P485-R489 WeakPolarHBondContact O-CD 3.33Å; P485-R489 PolarHBondContact O-NH1 2.86Å; L486-R489 WeakPolarHBondContact O-CB 3.24Å; L486-R489 PolarHBondContact O-N 3.07Å; L487-R489 PolarHBondContact O-N 2.69Å |
| 490 | F | 89.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | trans | -83 | 126.9 | 164.2 | -68.6 | -82.2 | 0 | 0 | 0 | 107.6 | H354 L356 F423 M438 I460 A462 L486 L492 V493 | H354-F490 HydrophobicContact CB-CD1 3.9Å; L356-F490 HydrophobicContact CB-CB 4.41Å; L356-F490 HydrophobicContact CB-CD1 3.82Å; L356-F490 HydrophobicContact CB-CD2 4.27Å; L356-F490 HydrophobicContact CB-CE1 4.1Å; L356-F490 HydrophobicContact CB-CG 3.91Å; L356-F490 HydrophobicContact CB-CZ 4.44Å; L356-F490 HydrophobicContact CD1-CZ 4.41Å; L356-F490 HydrophobicContact CD2-CD2 4.27Å; L356-F490 HydrophobicContact CD2-CE2 4.3Å; F423-F490 HydrophobicContact CE1-CE2 4.35Å; F423-F490 HydrophobicContact CE1-CZ 4.29Å; F423-F490 HydrophobicContact CE2-CZ 4.21Å; F423-F490 HydrophobicContact CZ-CE2 4.26Å; F423-F490 AromaticContact CZ-CZ 3.95Å; F423-F490 HydrophobicContact CZ-CZ 3.95Å; M438-F490 HydrophobicContact CE-CD1 3.97Å; M438-F490 HydrophobicContact CE-CD2 3.86Å; M438-F490 HydrophobicContact CE-CE1 3.84Å; M438-F490 HydrophobicContact CE-CE2 3.73Å; M438-F490 HydrophobicContact CE-CG 3.98Å; M438-F490 HydrophobicContact CE-CZ 3.72Å; I460-F490 HydrophobicContact CG2-CE1 4.34Å; A462-F490 HydrophobicContact CB-CE1 3.97Å; A462-F490 HydrophobicContact CB-CZ 4.13Å; L486-F490 WeakPolarHBondContact O-CD2 3.31Å; F490-L492 VanDerWaalsContact C-N 3.31Å; F490-V493 HydrophobicContact CB-CG2 3.88Å | ||
| 491 | D | 90.8 | Very high | 84.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -71.4 | -32.2 | 178.8 | -53.2 | -88.8 | 0 | 0 | 0 | 110.8 | R350 C353 H354 S578 R581 | R350-D491 IonicContact CZ-OD2 2.69Å; R350-D491 IonicContact NH2-OD1 2.75Å; R350-D491 IonicContact NH2-OD2 2.85Å; R350-D491 PolarHBondContact NH2-OD2 2.79Å; C353-D491 WeakPolarHBondContact CA-OD2 3.37Å; H354-D491 PolarHBondContact N-OD2 2.82Å; H354-D491 PolarHBondContact O-N 2.88Å; D491-S578 WeakPolarHBondContact CA-OG 3.33Å; D491-S578 WeakPolarHBondContact CB-OG 3.49Å; D491-S578 WeakPolarHBondContact OD1-CA 3.48Å; D491-S578 VanDerWaalsContact OD1-CB 3.3Å; D491-S578 WeakPolarHBondContact OD1-CB 3.46Å; D491-S578 PolarHBondContact OD1-OG 3.16Å; D491-R581 IonicContact OD1-NH1 3.49Å; D491-R581 PolarHBondContact OD1-NH1 2.99Å |
| 492 | L | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.4 | 172.9 | -67.8 | 177.3 | 0 | 0 | 0 | 111.4 | A330 V334 H354 L355 L356 F490 L582 V606 M607 | A330-L492 HydrophobicContact CB-CD1 3.86Å; V334-L492 HydrophobicContact CG2-CD1 4.48Å; H354-L492 PolarHBondContact O-N 2.87Å; H354-L492 VanDerWaalsContact O-N 3.16Å; L355-L492 WeakPolarHBondContact CA-O 3.13Å; L355-L492 HydrophobicContact CD1-CB 3.62Å; L356-L492 PolarHBondContact N-O 2.65Å; F490-L492 VanDerWaalsContact C-N 3.31Å; L492-L582 HydrophobicContact CD1-CD1 4.33Å; L492-L582 HydrophobicContact CD1-CD2 3.74Å; L492-L582 HydrophobicContact CD2-CD1 3.77Å; L492-L582 HydrophobicContact CG-CD1 3.92Å; L492-L582 HydrophobicContact CG-CD2 4.06Å; L492-V606 HydrophobicContact CD1-CG1 3.79Å; L492-V606 HydrophobicContact CD2-CG1 4.04Å; L492-M607 HydrophobicContact CD2-SD 3.89Å |
| 493 | V | 88.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 101.9 | 169.4 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | L356 V358 L476 F490 S610 | L356-V493 HydrophobicContact CB-CB 4.46Å; L356-V493 HydrophobicContact CB-CG1 4.1Å; L356-V493 HydrophobicContact CB-CG2 4.18Å; L356-V493 HydrophobicContact CD2-CG1 3.91Å; L356-V493 HydrophobicContact CD2-CG2 4.42Å; L356-V493 HydrophobicContact CG-CG1 4.17Å; L356-V493 CarbonylContact O-C 3.56Å; L356-V493 WeakPolarHBondContact O-CA 3.32Å; V358-V493 HydrophobicContact CG2-CG1 3.69Å; L476-V493 HydrophobicContact CD2-CB 4.47Å; L476-V493 HydrophobicContact CD2-CG1 3.92Å; F490-V493 HydrophobicContact CB-CG2 3.88Å; V493-S610 PolarHBondContact N-OG 3.29Å; V493-S610 PolarHBondContact O-OG 2.96Å |
| 494 | L | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.6 | -179.1 | -64.3 | 178.7 | 0 | 0 | 0 | 110.1 | I327 A330 L355 L356 L357 V358 | I327-L494 HydrophobicContact CB-CD1 4.41Å; I327-L494 HydrophobicContact CG1-CD1 4.1Å; I327-L494 HydrophobicContact CG2-CD1 4.49Å; A330-L494 HydrophobicContact CB-CD1 3.69Å; L355-L494 HydrophobicContact CD1-CD1 4.15Å; L355-L494 HydrophobicContact CD1-CG 4.03Å; L356-L494 PolarHBondContact O-N 3.07Å; L357-L494 HydrophobicContact CD2-CB 4.15Å; L357-L494 HydrophobicContact CD2-CD1 4.27Å; V358-L494 PolarHBondContact N-O 3.06Å |
| 495 | V | 85.2 | Confident | 84.8 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.3 | 179.4 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | V358 Y470 L476 L497 | V358-V495 HydrophobicContact CB-CG2 4.38Å; V358-V495 HydrophobicContact CG1-CG1 4.4Å; Y470-V495 HydrophobicContact CD2-CG1 4.01Å; Y470-V495 HydrophobicContact CE1-CG1 4.19Å; Y470-V495 HydrophobicContact CE2-CG1 3.64Å; Y470-V495 HydrophobicContact CG-CG1 4.44Å; L476-V495 HydrophobicContact CD1-CG2 3.94Å; V495-L497 HydrophobicContact CG1-CD2 3.56Å; V495-L497 HydrophobicContact CG1-CG 3.95Å |
| 496 | L | 84.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 93.9 | -175.8 | -52.6 | -174.7 | 0 | 0 | 0 | 108.8 | I327 V358 G359 K365 A622 L623 | I327-L496 HydrophobicContact CD1-CD2 3.36Å; I327-L496 HydrophobicContact CG1-CD2 3.94Å; V358-L496 WeakPolarHBondContact O-CB 3.25Å; V358-L496 WeakPolarHBondContact O-CG 3.44Å; V358-L496 PolarHBondContact O-N 3.45Å; G359-L496 VanDerWaalsContact CA-O 3.31Å; G359-L496 WeakPolarHBondContact CA-O 3.44Å; K365-L496 HydrophobicContact CD-CD1 4.11Å; K365-L496 HydrophobicContact CG-CD1 3.65Å; L496-A622 HydrophobicContact CD2-CB 4.49Å; L496-L623 HydrophobicContact CB-CD1 4.08Å; L496-L623 HydrophobicContact CB-CD2 4.06Å; L496-L623 HydrophobicContact CB-CG 4.05Å; L496-L623 HydrophobicContact CD1-CD2 4.36Å; L496-L623 HydrophobicContact CD2-CD2 3.91Å; L496-L623 HydrophobicContact CD2-CG 4.15Å; L496-L623 HydrophobicContact CG-CD2 4.33Å |
| 497 | L | 80.6 | Confident | 84.8 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.199 | 27% | 0.266 | C | S | . | . | trans | -95.5 | 115.3 | -177.1 | -57.6 | -179.9 | 0 | 0 | 0 | 110.5 | Y470 V495 T499 L623 | Y470-L497 HydrophobicContact CD1-CD2 3.38Å; Y470-L497 HydrophobicContact CD2-CD2 4.17Å; Y470-L497 HydrophobicContact CE1-CD2 4.04Å; Y470-L497 HydrophobicContact CG-CD2 3.44Å; Y470-L497 VanDerWaalsContact CG-CD2 3.44Å; V495-L497 HydrophobicContact CG1-CD2 3.56Å; V495-L497 HydrophobicContact CG1-CG 3.95Å; L497-T499 VanDerWaalsContact C-N 3.34Å; L497-T499 HydrophobicContact CB-CG2 4.47Å; L497-T499 PolarHBondContact O-N 2.81Å; L497-L623 WeakPolarHBondContact O-CD1 3.15Å | ||
| 498 | D | 82.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 55.4 Ų | 55.4 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | trans | -72.3 | 83.7 | -179.5 | -176.1 | 31.7 | 0 | 0 | 0 | 112.1 | ||||
| 499 | T | 79.2 | Confident | 84.8 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | trans | -91.5 | 102.4 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 111 | L497 N501 N621 | L497-T499 VanDerWaalsContact C-N 3.34Å; L497-T499 HydrophobicContact CB-CG2 4.47Å; L497-T499 PolarHBondContact O-N 2.81Å; T499-N501 PolarHBondContact O-N 3.3Å; T499-N501 VanDerWaalsContact O-N 3.14Å; T499-N621 WeakPolarHBondContact CG2-ND2 3.44Å; T499-N621 PolarHBondContact OG1-ND2 2.81Å | ||
| 500 | R | 80.4 | Confident | 84.7 | Confident | 223 Ų | 223 | 57.4 Ų | 57.4 | 84% | 0.842 | 30% | 0.301 | S | S | * | . | trans | -48.4 | 115.7 | 175 | -60.7 | 176.5 | -174.1 | 163.2 | 2.5 | 111.5 | ||||
| 501 | N | 81.6 | Confident | 84.3 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | trans | -142.2 | 115.3 | 176.9 | 178.6 | -12.8 | 0 | 0 | 0 | 108.6 | T499 E503 W504 D505 | T499-N501 PolarHBondContact O-N 3.3Å; T499-N501 VanDerWaalsContact O-N 3.14Å; N501-E503 PolarHBondContact O-N 3.26Å; N501-E503 VanDerWaalsContact O-N 3.15Å; N501-E503 PolarHBondContact OD1-N 2.88Å; N501-E503 VanDerWaalsContact OD1-N 3.13Å; N501-W504 HydrophobicContact CB-CB 4.36Å; N501-W504 PolarHBondContact O-N 3.36Å; N501-D505 PolarHBondContact N-OD2 2.92Å; N501-D505 WeakPolarHBondContact O-CB 3.48Å; N501-D505 VanDerWaalsContact O-CG 3.23Å; N501-D505 PolarHBondContact O-N 2.86Å | ||
| 502 | V | 86.4 | Confident | 84 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 68% | 0.679 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -54.8 | -36.7 | -173.4 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | C506 | V502-C506 WeakPolarHBondContact O-CB 3.27Å; V502-C506 PolarHBondContact O-N 3.28Å; V502-C506 PolarHBondContact O-SG 3.27Å; V502-C506 VanDerWaalsContact O-SG 3.38Å |
| 503 | E | 84.1 | Confident | 83.8 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 179.9 | -62.7 | 175.4 | 169.8 | 0 | 0 | 111.3 | N501 C506 I507 | N501-E503 PolarHBondContact O-N 3.26Å; N501-E503 VanDerWaalsContact O-N 3.15Å; N501-E503 PolarHBondContact OD1-N 2.88Å; N501-E503 VanDerWaalsContact OD1-N 3.13Å; E503-C506 PolarHBondContact O-N 2.72Å; E503-I507 WeakPolarHBondContact O-CD1 3.22Å; E503-I507 VanDerWaalsContact O-CG1 3.32Å; E503-I507 WeakPolarHBondContact O-CG1 3.19Å; E503-I507 PolarHBondContact O-N 3.45Å |
| 504 | W | 79.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.1 | -39.7 | 176 | -82.4 | 86.1 | 0 | 0 | 0 | 112.1 | F322 N501 C506 I507 I508 L624 T626 | F322-W504 HydrophobicContact CD1-CZ3 4.42Å; F322-W504 HydrophobicContact CE1-CZ3 4.3Å; N501-W504 HydrophobicContact CB-CB 4.36Å; N501-W504 PolarHBondContact O-N 3.36Å; W504-C506 VanDerWaalsContact C-N 3.27Å; W504-C506 PolarHBondContact O-N 2.59Å; W504-I507 PolarHBondContact O-N 2.64Å; W504-I508 HydrophobicContact CB-CD1 4.46Å; W504-I508 HydrophobicContact CE3-CD1 4.22Å; W504-I508 VanDerWaalsContact O-CB 3.28Å; W504-I508 WeakPolarHBondContact O-CB 3.4Å; W504-I508 VanDerWaalsContact O-CG1 3.22Å; W504-I508 WeakPolarHBondContact O-CG1 3.28Å; W504-I508 PolarHBondContact O-N 3.02Å; W504-L624 HydrophobicContact CB-CD2 4.37Å; W504-L624 HydrophobicContact CD2-CD2 3.88Å; W504-L624 HydrophobicContact CG-CD2 3.79Å; W504-L624 VanDerWaalsContact CZ2-C 3.42Å; W504-L624 HydrophobicContact CZ2-CB 4.14Å; W504-L624 WeakPolarHBondContact CZ2-O 3.19Å; W504-T626 HydrophobicContact CH2-CG2 3.65Å; W504-T626 HydrophobicContact CZ2-CG2 3.73Å |
| 505 | D | 85.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 83.3 Ų | 83.3 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 174.6 | -66.3 | -34.8 | 0 | 0 | 0 | 110.8 | N501 S509 | N501-D505 PolarHBondContact N-OD2 2.92Å; N501-D505 WeakPolarHBondContact O-CB 3.48Å; N501-D505 VanDerWaalsContact O-CG 3.23Å; N501-D505 PolarHBondContact O-N 2.86Å; D505-S509 WeakPolarHBondContact O-CB 3.46Å; D505-S509 PolarHBondContact O-N 3.41Å; D505-S509 PolarHBondContact O-OG 2.97Å |
| 506 | C | 84.9 | Confident | 80.1 | Confident | 76 Ų | 76 | 91.1 Ų | 91.1 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 172 | -80.7 | 0 | 0 | 0 | 0 | 112.9 | V502 E503 W504 S509 S510 | V502-C506 WeakPolarHBondContact O-CB 3.27Å; V502-C506 PolarHBondContact O-N 3.28Å; V502-C506 PolarHBondContact O-SG 3.27Å; V502-C506 VanDerWaalsContact O-SG 3.38Å; E503-C506 PolarHBondContact O-N 2.72Å; W504-C506 VanDerWaalsContact C-N 3.27Å; W504-C506 PolarHBondContact O-N 2.59Å; C506-S509 PolarHBondContact O-N 2.9Å; C506-S509 PolarHBondContact O-OG 3.06Å; C506-S509 VanDerWaalsContact O-OG 3.14Å; C506-S510 PolarHBondContact O-N 3.33Å; C506-S510 PolarHBondContact O-OG 3.3Å |
| 507 | I | 83.9 | Confident | 78.2 | Confident | 73 Ų | 73 | 93.3 Ų | 93.3 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | -179.5 | -64.4 | 161.3 | 0 | 0 | 0 | 111.5 | F322 E503 W504 S510 F511 | F322-I507 HydrophobicContact CD1-CG2 3.98Å; F322-I507 HydrophobicContact CE1-CG2 3.4Å; F322-I507 HydrophobicContact CZ-CG2 3.74Å; E503-I507 WeakPolarHBondContact O-CD1 3.22Å; E503-I507 VanDerWaalsContact O-CG1 3.32Å; E503-I507 WeakPolarHBondContact O-CG1 3.19Å; E503-I507 PolarHBondContact O-N 3.45Å; W504-I507 PolarHBondContact O-N 2.64Å; I507-S510 PolarHBondContact O-OG 2.96Å; I507-S510 VanDerWaalsContact O-OG 3.11Å; I507-F511 VanDerWaalsContact O-CB 3.31Å; I507-F511 WeakPolarHBondContact O-CB 3.46Å; I507-F511 PolarHBondContact O-N 2.88Å |
| 508 | I | 82.8 | Confident | 76.6 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 36% | 0.359 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 177.9 | -68.4 | 166.4 | 0 | 0 | 0 | 110.3 | W504 F511 I512 | W504-I508 HydrophobicContact CB-CD1 4.46Å; W504-I508 HydrophobicContact CE3-CD1 4.22Å; W504-I508 VanDerWaalsContact O-CB 3.28Å; W504-I508 WeakPolarHBondContact O-CB 3.4Å; W504-I508 VanDerWaalsContact O-CG1 3.22Å; W504-I508 WeakPolarHBondContact O-CG1 3.28Å; W504-I508 PolarHBondContact O-N 3.02Å; I508-F511 PolarHBondContact O-N 3.14Å; I508-I512 HydrophobicContact CG2-CD1 3.66Å; I508-I512 HydrophobicContact CG2-CG1 4.44Å; I508-I512 WeakPolarHBondContact O-CB 3.35Å; I508-I512 VanDerWaalsContact O-CG1 3.25Å; I508-I512 WeakPolarHBondContact O-CG1 3.49Å; I508-I512 PolarHBondContact O-N 3.48Å |
| 509 | S | 85.4 | Confident | 74.7 | Confident | 55 Ų | 55 | 96 Ų | 96 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.9 | -36.1 | 177.6 | 58.1 | 0 | 0 | 0 | 0 | 113 | D505 C506 I512 L513 | D505-S509 WeakPolarHBondContact O-CB 3.46Å; D505-S509 PolarHBondContact O-N 3.41Å; D505-S509 PolarHBondContact O-OG 2.97Å; C506-S509 PolarHBondContact O-N 2.9Å; C506-S509 PolarHBondContact O-OG 3.06Å; C506-S509 VanDerWaalsContact O-OG 3.14Å; S509-I512 PolarHBondContact O-N 2.78Å; S509-L513 VanDerWaalsContact O-CB 3.27Å; S509-L513 WeakPolarHBondContact O-CB 3.44Å; S509-L513 WeakPolarHBondContact O-CD1 3.2Å; S509-L513 WeakPolarHBondContact O-CG 3.46Å; S509-L513 PolarHBondContact O-N 2.93Å |
| 510 | S | 85.4 | Confident | 73.1 | Confident | 51 Ų | 51 | 97.1 Ų | 97.1 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 171.5 | 72.3 | 0 | 0 | 0 | 0 | 111 | C506 I507 I512 L513 E514 | C506-S510 PolarHBondContact O-N 3.33Å; C506-S510 PolarHBondContact O-OG 3.3Å; I507-S510 PolarHBondContact O-OG 2.96Å; I507-S510 VanDerWaalsContact O-OG 3.11Å; S510-I512 VanDerWaalsContact C-N 3.33Å; S510-I512 PolarHBondContact O-N 3.08Å; S510-L513 PolarHBondContact O-N 2.81Å; S510-E514 VanDerWaalsContact O-CB 3.31Å; S510-E514 WeakPolarHBondContact O-CB 3.36Å; S510-E514 WeakPolarHBondContact O-CG 3.45Å; S510-E514 PolarHBondContact O-N 3.04Å |
| 511 | F | 82.6 | Confident | 71.3 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 25% | 0.254 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 177 | 180 | -94.2 | 0 | 0 | 0 | 113.4 | P319 F322 I507 I508 | P319-F511 WeakPolarHBondContact O-CZ 3.48Å; F322-F511 HydrophobicContact CB-CD1 3.82Å; F322-F511 HydrophobicContact CB-CD2 4.11Å; F322-F511 HydrophobicContact CB-CE1 4.02Å; F322-F511 HydrophobicContact CB-CE2 4.29Å; F322-F511 HydrophobicContact CB-CG 3.87Å; F322-F511 HydrophobicContact CB-CZ 4.25Å; F322-F511 AromaticContact CD2-CD2 3.83Å; F322-F511 HydrophobicContact CD2-CD2 3.83Å; F322-F511 HydrophobicContact CD2-CE2 4.16Å; F322-F511 HydrophobicContact CD2-CG 4.27Å; F322-F511 HydrophobicContact CG-CD2 4.3Å; F322-F511 HydrophobicContact CG-CG 4.3Å; I507-F511 VanDerWaalsContact O-CB 3.31Å; I507-F511 WeakPolarHBondContact O-CB 3.46Å; I507-F511 PolarHBondContact O-N 2.88Å; I508-F511 PolarHBondContact O-N 3.14Å |
| 512 | I | 83.7 | Confident | 69.9 | Low | 114 Ų | 114 | 93.5 Ų | 93.5 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.1 | -35.9 | 177.4 | -69.1 | 169.2 | 0 | 0 | 0 | 111.7 | I508 S509 S510 | I508-I512 HydrophobicContact CG2-CD1 3.66Å; I508-I512 HydrophobicContact CG2-CG1 4.44Å; I508-I512 WeakPolarHBondContact O-CB 3.35Å; I508-I512 VanDerWaalsContact O-CG1 3.25Å; I508-I512 WeakPolarHBondContact O-CG1 3.49Å; I508-I512 PolarHBondContact O-N 3.48Å; S509-I512 PolarHBondContact O-N 2.78Å; S510-I512 VanDerWaalsContact C-N 3.33Å; S510-I512 PolarHBondContact O-N 3.08Å |
| 513 | L | 84.3 | Confident | 68.3 | Low | 147 Ų | 147 | 94.5 Ų | 94.5 | 77% | 0.77 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -82 | -25.8 | -179.3 | -70.1 | 171.2 | 0 | 0 | 0 | 113.7 | S509 S510 D515 | S509-L513 VanDerWaalsContact O-CB 3.27Å; S509-L513 WeakPolarHBondContact O-CB 3.44Å; S509-L513 WeakPolarHBondContact O-CD1 3.2Å; S509-L513 WeakPolarHBondContact O-CG 3.46Å; S509-L513 PolarHBondContact O-N 2.93Å; S510-L513 PolarHBondContact O-N 2.81Å; L513-D515 PolarHBondContact O-N 2.85Å |
| 514 | E | 74.5 | Confident | 67.3 | Low | 119 Ų | 119 | 90 Ų | 90 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -70.5 | -12.8 | 170.3 | -79.1 | 177 | -141.8 | 0 | 0 | 113 | S510 R516 | S510-E514 VanDerWaalsContact O-CB 3.31Å; S510-E514 WeakPolarHBondContact O-CB 3.36Å; S510-E514 WeakPolarHBondContact O-CG 3.45Å; S510-E514 PolarHBondContact O-N 3.04Å; E514-R516 PolarHBondContact O-N 3.04Å |
| 515 | D | 55.8 | Low | 67.2 | Low | 124 Ų | 124 | 91.5 Ų | 91.5 | 66% | 0.663 | 54% | 0.536 | S | S | * | . | trans | 17.8 | 80.6 | -176.8 | -169.2 | 18 | 0 | 0 | 0 | 113.9 | L513 G517 | L513-D515 PolarHBondContact O-N 2.85Å; D515-G517 PolarHBondContact O-N 3.38Å; D515-G517 PolarHBondContact OD1-N 3.28Å | ||
| 516 | R | 55.2 | Low | 67.1 | Low | 187 Ų | 187 | 88.8 Ų | 88.8 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | trans | -71.7 | 58.8 | 169.5 | -66.5 | -169.5 | -178.5 | -130.6 | 2.9 | 110.5 | E514 T518 | E514-R516 PolarHBondContact O-N 3.04Å; R516-T518 PolarHBondContact O-N 3.45Å; R516-T518 VanDerWaalsContact O-N 3.15Å | ||
| 517 | G | 43.8 | Very low | 67.2 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | trans | -57 | 114.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D515 | D515-G517 PolarHBondContact O-N 3.38Å; D515-G517 PolarHBondContact OD1-N 3.28Å | ||
| 518 | T | 46.2 | Very low | 67.2 | Low | 129 Ų | 129 | 87.7 Ų | 87.7 | 79% | 0.791 | 51% | 0.514 | S | S | * | . | S | Bend | trans | 54.1 | 101.5 | -171.3 | 42 | 0 | 0 | 0 | 0 | 114.7 | R516 A520 | R516-T518 PolarHBondContact O-N 3.45Å; R516-T518 VanDerWaalsContact O-N 3.15Å; T518-A520 PolarHBondContact O-N 3.03Å |
| 519 | P | 43.4 | Very low | 67.2 | Low | 70 Ų | 70 | 91.3 Ų | 91.3 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | trans | -72.4 | 81 | 169.2 | 31.1 | -34.5 | 0 | 0 | 0 | 110.5 | P319 A522 L525 | P319-P519 HydrophobicContact CB-CG 4.37Å; P319-P519 HydrophobicContact CG-CG 4.29Å; P519-A522 HydrophobicContact CB-CB 3.99Å; P519-L525 HydrophobicContact CB-CD1 4.15Å; P519-L525 HydrophobicContact CG-CD1 4.43Å | ||
| 520 | A | 46 | Very low | 67.2 | Low | 83 Ų | 83 | 90.7 Ų | 90.7 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -77.6 | -42.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T518 | T518-A520 PolarHBondContact O-N 3.03Š|
| 521 | D | 43.1 | Very low | 67.3 | Low | 159 Ų | 159 | 88.3 Ų | 88.3 | 85% | 0.85 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -103.3 | 19 | -169.3 | -52.2 | -54.5 | 0 | 0 | 0 | 114 | S523 | D521-S523 PolarHBondContact O-N 3.35Š|
| 522 | A | 50.5 | Low | 67.5 | Low | 38 Ų | 38 | 88.5 Ų | 88.5 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | trans | -83.6 | 92.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P519 G524 L525 | P519-A522 HydrophobicContact CB-CB 3.99Å; A522-G524 PolarHBondContact O-N 3.26Å; A522-L525 HydrophobicContact CB-CB 4.42Å; A522-L525 HydrophobicContact CB-CD1 3.7Å; A522-L525 HydrophobicContact CB-CG 3.87Å; A522-L525 PolarHBondContact O-N 3.37Å | ||
| 523 | S | 53.3 | Low | 67.5 | Low | 134 Ų | 134 | 85.3 Ų | 85.3 | 94% | 0.937 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 42.5 | -167.6 | 69.4 | 0 | 0 | 0 | 0 | 116.3 | D521 | D521-S523 PolarHBondContact O-N 3.35Š|
| 524 | G | 63.7 | Low | 67.7 | Low | 46 Ų | 46 | 78.3 Ų | 78.3 | 47% | 0.474 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -179.5 | 12.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A522 | A522-G524 PolarHBondContact O-N 3.26Š|
| 525 | L | 77.1 | Confident | 68.3 | Low | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 134.6 | 171.8 | -64 | -174.8 | 0 | 0 | 0 | 110.4 | L315 P319 P519 A522 | L315-L525 HydrophobicContact CB-CD2 4.25Å; P319-L525 HydrophobicContact CB-CD1 4.47Å; P519-L525 HydrophobicContact CB-CD1 4.15Å; P519-L525 HydrophobicContact CG-CD1 4.43Å; A522-L525 HydrophobicContact CB-CB 4.42Å; A522-L525 HydrophobicContact CB-CD1 3.7Å; A522-L525 HydrophobicContact CB-CG 3.87Å; A522-L525 PolarHBondContact O-N 3.37Å |
| 526 | W | 84.1 | Confident | 69.7 | Low | 22 Ų | 22 | 68.5 Ų | 68.5 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 139.4 | 176.6 | -69.7 | 22.1 | 0 | 0 | 0 | 111.3 | F295 F298 E312 I313 K530 Y534 | F295-W526 HydrophobicContact CD1-CH2 4.09Å; F295-W526 HydrophobicContact CD1-CZ3 4.37Å; F295-W526 HydrophobicContact CE1-CH2 4.08Å; F295-W526 AromaticContact CE1-CZ3 3.91Å; F295-W526 HydrophobicContact CE1-CZ3 3.91Å; F298-W526 HydrophobicContact CD1-CH2 4.36Å; F298-W526 AromaticContact CD1-CZ2 3.88Å; F298-W526 HydrophobicContact CD1-CZ2 3.88Å; F298-W526 HydrophobicContact CD2-CZ2 4.02Å; F298-W526 HydrophobicContact CE1-CH2 4.29Å; F298-W526 AromaticContact CE1-CZ2 3.68Å; F298-W526 HydrophobicContact CE1-CZ2 3.68Å; F298-W526 AromaticContact CE2-CZ2 3.81Å; F298-W526 HydrophobicContact CE2-CZ2 3.81Å; F298-W526 AromaticContact CE2-NE1 3.98Å; F298-W526 HydrophobicContact CG-CZ2 4.05Å; F298-W526 AromaticContact CZ-CZ2 3.64Å; F298-W526 HydrophobicContact CZ-CZ2 3.64Å; E312-W526 PolarHBondContact OE1-NE1 3.18Å; I313-W526 HydrophobicContact CD1-CH2 3.72Å; I313-W526 HydrophobicContact CD1-CZ2 4.1Å; I313-W526 HydrophobicContact CD1-CZ3 4.25Å; I313-W526 HydrophobicContact CG1-CD2 4.47Å; I313-W526 HydrophobicContact CG1-CE3 4.41Å; I313-W526 HydrophobicContact CG1-CH2 3.71Å; I313-W526 HydrophobicContact CG1-CZ2 3.75Å; I313-W526 HydrophobicContact CG1-CZ3 4.04Å; W526-K530 HydrophobicContact CD2-CD 4.09Å; W526-K530 HydrophobicContact CD2-CG 4.21Å; W526-K530 HydrophobicContact CE3-CD 4.31Å; W526-K530 HydrophobicContact CE3-CG 3.95Å; W526-K530 HydrophobicContact CG-CD 4.21Å; W526-K530 HydrophobicContact CZ3-CG 4.49Å; W526-Y534 HydrophobicContact CH2-CD2 4.13Å; W526-Y534 HydrophobicContact CH2-CE2 4.32Å; W526-Y534 HydrophobicContact CH2-CG 4.23Å; W526-Y534 AromaticContact CZ3-CD1 3.94Å; W526-Y534 HydrophobicContact CZ3-CD1 3.94Å; W526-Y534 AromaticContact CZ3-CD2 3.96Å; W526-Y534 HydrophobicContact CZ3-CD2 3.96Å; W526-Y534 HydrophobicContact CZ3-CE1 4.5Å; W526-Y534 AromaticContact CZ3-CG 3.64Å; W526-Y534 HydrophobicContact CZ3-CG 3.64Å |
| 527 | S | 86.3 | Confident | 71.1 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 46% | 0.462 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 154.4 | 173.3 | 76.6 | 0 | 0 | 0 | 0 | 111 | E529 K530 M531 | S527-E529 PolarHBondContact O-N 3.33Å; S527-E529 VanDerWaalsContact O-N 3.13Å; S527-E529 PolarHBondContact OG-N 3.08Å; S527-K530 PolarHBondContact O-N 3.17Å; S527-K530 PolarHBondContact OG-N 2.9Å; S527-M531 PolarHBondContact O-N 2.86Å |
| 528 | M | 83.6 | Confident | 73.1 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.1 | -29 | 173.8 | 175.8 | 61.2 | 63.7 | 0 | 0 | 111.9 | Y371 K374 V375 K532 | Y371-M528 HydrophobicContact CD2-CE 4.05Å; Y371-M528 HydrophobicContact CE1-CE 4.47Å; Y371-M528 HydrophobicContact CE2-CE 3.54Å; K374-M528 HydrophobicContact CB-CE 4.24Å; K374-M528 HydrophobicContact CB-SD 4.22Å; V375-M528 HydrophobicContact CG2-CE 4.2Å; V375-M528 HydrophobicContact CG2-SD 3.86Å; M528-K532 HydrophobicContact CG-CD 4.29Å; M528-K532 WeakPolarHBondContact O-CB 3.48Å; M528-K532 WeakPolarHBondContact O-CD 3.42Å; M528-K532 WeakPolarHBondContact O-CG 3.15Å; M528-K532 PolarHBondContact O-N 3.06Å |
| 529 | E | 83.1 | Confident | 75 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -77.9 | -42.6 | 178.5 | -65.5 | 175.8 | 174.4 | 0 | 0 | 112.3 | S527 M531 K532 T533 | S527-E529 PolarHBondContact O-N 3.33Å; S527-E529 VanDerWaalsContact O-N 3.13Å; S527-E529 PolarHBondContact OG-N 3.08Å; E529-M531 VanDerWaalsContact C-N 3.26Å; E529-M531 PolarHBondContact O-N 3.11Å; E529-K532 PolarHBondContact O-N 2.75Å; E529-T533 PolarHBondContact O-N 2.91Å; E529-T533 PolarHBondContact O-OG1 3.26Å |
| 530 | K | 85.6 | Confident | 76.9 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -36 | 170.3 | -175.3 | 168 | 178.5 | 168.9 | 0 | 111.4 | E294 F295 W526 S527 T533 Y534 | E294-K530 VanDerWaalsContact OE1-CE 3.31Å; E294-K530 WeakPolarHBondContact OE1-CE 3.27Å; E294-K530 IonicContact OE1-NZ 2.64Å; E294-K530 PolarHBondContact OE1-NZ 2.9Å; F295-K530 HydrophobicContact CE1-CD 4.35Å; F295-K530 HydrophobicContact CE1-CG 3.78Å; F295-K530 HydrophobicContact CZ-CG 4.14Å; W526-K530 HydrophobicContact CD2-CD 4.09Å; W526-K530 HydrophobicContact CD2-CG 4.21Å; W526-K530 HydrophobicContact CE3-CD 4.31Å; W526-K530 HydrophobicContact CE3-CG 3.95Å; W526-K530 HydrophobicContact CG-CD 4.21Å; W526-K530 HydrophobicContact CZ3-CG 4.49Å; S527-K530 PolarHBondContact O-N 3.17Å; S527-K530 PolarHBondContact OG-N 2.9Å; K530-T533 WeakPolarHBondContact CA-OG1 3.45Å; K530-T533 PolarHBondContact O-OG1 3.44Å; K530-Y534 WeakPolarHBondContact O-CB 3.43Å; K530-Y534 PolarHBondContact O-N 3Å |
| 531 | M | 86.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 174.1 | -170.6 | 176.5 | -65.3 | 0 | 0 | 112.8 | S316 L317 Y371 V375 S527 E529 T533 Y534 F535 | S316-M531 WeakPolarHBondContact OG-CE 3.19Å; L317-M531 HydrophobicContact CB-CE 4.32Å; Y371-M531 HydrophobicContact CE1-SD 3.87Å; Y371-M531 VanDerWaalsContact OH-CE 3.29Å; Y371-M531 WeakPolarHBondContact OH-CE 3.34Å; Y371-M531 PolarHBondContact OH-SD 3.44Å; Y371-M531 VanDerWaalsContact OH-SD 3.33Å; V375-M531 HydrophobicContact CB-SD 4.48Å; V375-M531 HydrophobicContact CG1-CG 3.88Å; V375-M531 HydrophobicContact CG1-SD 4.04Å; V375-M531 HydrophobicContact CG2-CG 4.26Å; V375-M531 HydrophobicContact CG2-SD 3.54Å; V375-M531 VanDerWaalsContact CG2-SD 3.54Å; S527-M531 PolarHBondContact O-N 2.86Å; E529-M531 VanDerWaalsContact C-N 3.26Å; E529-M531 PolarHBondContact O-N 3.11Å; M531-T533 VanDerWaalsContact C-N 3.33Å; M531-T533 PolarHBondContact O-N 2.82Å; M531-Y534 PolarHBondContact O-N 2.72Å; M531-F535 HydrophobicContact CG-CD2 3.65Å; M531-F535 HydrophobicContact CG-CE2 3.69Å; M531-F535 WeakPolarHBondContact O-CD2 3.15Å; M531-F535 PolarHBondContact O-N 2.83Å; M531-F535 HydrophobicContact SD-CE2 4.11Å |
| 532 | K | 86.8 | Confident | 80.9 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 174.9 | -79.4 | 161 | 174.3 | -68.1 | 0 | 112.1 | K374 V375 M528 E529 S536 | K374-K532 VanDerWaalsContact O-CE 3.24Å; K374-K532 WeakPolarHBondContact O-CE 3.39Å; K374-K532 PolarHBondContact O-NZ 3.14Å; V375-K532 WeakPolarHBondContact O-CG 3.46Å; M528-K532 HydrophobicContact CG-CD 4.29Å; M528-K532 WeakPolarHBondContact O-CB 3.48Å; M528-K532 WeakPolarHBondContact O-CD 3.42Å; M528-K532 WeakPolarHBondContact O-CG 3.15Å; M528-K532 PolarHBondContact O-N 3.06Å; E529-K532 PolarHBondContact O-N 2.75Å; K532-S536 PolarHBondContact O-N 3.34Å; K532-S536 PolarHBondContact O-OG 2.76Å |
| 533 | T | 85.3 | Confident | 82.8 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 177.5 | 48 | 0 | 0 | 0 | 0 | 110.7 | E529 K530 M531 F535 S536 V537 | E529-T533 PolarHBondContact O-N 2.91Å; E529-T533 PolarHBondContact O-OG1 3.26Å; K530-T533 WeakPolarHBondContact CA-OG1 3.45Å; K530-T533 PolarHBondContact O-OG1 3.44Å; M531-T533 VanDerWaalsContact C-N 3.33Å; M531-T533 PolarHBondContact O-N 2.82Å; T533-F535 PolarHBondContact O-N 3.37Å; T533-S536 WeakPolarHBondContact O-CA 3.17Å; T533-S536 VanDerWaalsContact O-CB 3.29Å; T533-S536 WeakPolarHBondContact O-CB 3.41Å; T533-S536 PolarHBondContact O-N 2.9Å; T533-V537 WeakPolarHBondContact O-CG2 3.48Å; T533-V537 PolarHBondContact O-N 3.41Å |
| 534 | Y | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.1 | -51.2 | 177.8 | -170.8 | -112.3 | 0 | 0 | 0 | 113.2 | F295 W299 I313 W526 K530 M531 S536 V537 I538 L589 Y591 | F295-Y534 HydrophobicContact CB-CD2 4.49Å; F295-Y534 HydrophobicContact CB-CE2 4.49Å; F295-Y534 AromaticContact CD1-CD2 3.54Å; F295-Y534 HydrophobicContact CD1-CD2 3.54Å; F295-Y534 HydrophobicContact CD1-CE2 4.14Å; F295-Y534 HydrophobicContact CD1-CG 4.46Å; F295-Y534 HydrophobicContact CD2-CD2 4.03Å; F295-Y534 AromaticContact CE1-CD2 3.6Å; F295-Y534 HydrophobicContact CE1-CD2 3.6Å; F295-Y534 HydrophobicContact CE1-CG 4.11Å; F295-Y534 HydrophobicContact CE2-CD2 4.08Å; F295-Y534 AromaticContact CG-CD2 3.78Å; F295-Y534 HydrophobicContact CG-CD2 3.78Å; F295-Y534 HydrophobicContact CG-CE2 4.24Å; F295-Y534 AromaticContact CZ-CD2 3.89Å; F295-Y534 HydrophobicContact CZ-CD2 3.89Å; F295-Y534 HydrophobicContact CZ-CG 4.26Å; W299-Y534 WeakPolarHBondContact CZ2-OH 3.32Å; W299-Y534 AromaticContact NE1-CE2 3.81Å; W299-Y534 AromaticContact NE1-CZ 3.73Å; W299-Y534 PolarHBondContact NE1-OH 2.95Å; I313-Y534 HydrophobicContact CD1-CE1 4.03Å; W526-Y534 HydrophobicContact CH2-CD2 4.13Å; W526-Y534 HydrophobicContact CH2-CE2 4.32Å; W526-Y534 HydrophobicContact CH2-CG 4.23Å; W526-Y534 AromaticContact CZ3-CD1 3.94Å; W526-Y534 HydrophobicContact CZ3-CD1 3.94Å; W526-Y534 AromaticContact CZ3-CD2 3.96Å; W526-Y534 HydrophobicContact CZ3-CD2 3.96Å; W526-Y534 HydrophobicContact CZ3-CE1 4.5Å; W526-Y534 AromaticContact CZ3-CG 3.64Å; W526-Y534 HydrophobicContact CZ3-CG 3.64Å; K530-Y534 WeakPolarHBondContact O-CB 3.43Å; K530-Y534 PolarHBondContact O-N 3Å; M531-Y534 PolarHBondContact O-N 2.72Å; Y534-S536 PolarHBondContact O-N 3.33Å; Y534-S536 VanDerWaalsContact O-N 3.17Å; Y534-V537 PolarHBondContact O-N 3.27Å; Y534-V537 VanDerWaalsContact O-N 3.08Å; Y534-I538 HydrophobicContact CD1-CD1 4.3Å; Y534-I538 HydrophobicContact CD1-CG2 4.23Å; Y534-I538 HydrophobicContact CD2-CG2 4.2Å; Y534-I538 HydrophobicContact CE1-CD1 4.08Å; Y534-I538 HydrophobicContact CE1-CG2 3.8Å; Y534-I538 HydrophobicContact CE2-CG2 3.77Å; Y534-I538 HydrophobicContact CG-CG2 4.42Å; Y534-I538 PolarHBondContact O-N 2.7Å; Y534-L589 HydrophobicContact CE1-CD1 4.47Å; Y534-L589 PolarHBondContact OH-O 3.38Å; Y534-Y591 HydrophobicContact CE2-CD2 4.32Å |
| 535 | F | 88.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -20.2 | 177 | -83.5 | -74.9 | 0 | 0 | 0 | 113.5 | A332 L335 A336 V375 M531 T533 I538 K539 L589 | A332-F535 HydrophobicContact CB-CZ 4.49Å; A332-F535 WeakPolarHBondContact O-CE1 3.47Å; L335-F535 HydrophobicContact CB-CD1 3.8Å; L335-F535 HydrophobicContact CB-CE1 3.49Å; L335-F535 VanDerWaalsContact CB-CE1 3.49Å; L335-F535 HydrophobicContact CB-CZ 4.08Å; L335-F535 HydrophobicContact CD1-CZ 4.34Å; A336-F535 HydrophobicContact CB-CE1 4.4Å; V375-F535 HydrophobicContact CG1-CB 4.37Å; V375-F535 HydrophobicContact CG1-CD2 3.44Å; V375-F535 VanDerWaalsContact CG1-CD2 3.44Å; V375-F535 HydrophobicContact CG1-CE2 3.96Å; V375-F535 HydrophobicContact CG1-CG 4.05Å; M531-F535 HydrophobicContact CG-CD2 3.65Å; M531-F535 HydrophobicContact CG-CE2 3.69Å; M531-F535 WeakPolarHBondContact O-CD2 3.15Å; M531-F535 PolarHBondContact O-N 2.83Å; M531-F535 HydrophobicContact SD-CE2 4.11Å; T533-F535 PolarHBondContact O-N 3.37Å; F535-I538 HydrophobicContact CD1-CD1 3.76Å; F535-I538 HydrophobicContact CD1-CG1 4.49Å; F535-I538 HydrophobicContact CE1-CD1 4.01Å; F535-I538 HydrophobicContact CG-CD1 4.48Å; F535-K539 WeakPolarHBondContact O-CG 3.18Å; F535-L589 HydrophobicContact CE1-CD1 4.36Å; F535-L589 HydrophobicContact CZ-CD1 4.24Å |
| 536 | S | 83.2 | Confident | 86.4 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -80.5 | -36 | 173.2 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | K532 T533 Y534 | K532-S536 PolarHBondContact O-N 3.34Å; K532-S536 PolarHBondContact O-OG 2.76Å; T533-S536 WeakPolarHBondContact O-CA 3.17Å; T533-S536 VanDerWaalsContact O-CB 3.29Å; T533-S536 WeakPolarHBondContact O-CB 3.41Å; T533-S536 PolarHBondContact O-N 2.9Å; Y534-S536 PolarHBondContact O-N 3.33Å; Y534-S536 VanDerWaalsContact O-N 3.17Å |
| 537 | V | 84.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73 | -50.6 | 177 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | V288 Q292 F295 T533 Y534 K539 Q540 Y591 | V288-V537 HydrophobicContact CB-CG2 4.41Å; V288-V537 HydrophobicContact CG1-CG1 4.46Å; V288-V537 HydrophobicContact CG1-CG2 3.61Å; V288-V537 HydrophobicContact CG2-CG2 3.82Å; Q292-V537 HydrophobicContact CG-CG1 4.05Å; F295-V537 HydrophobicContact CD2-CG2 4.44Å; F295-V537 HydrophobicContact CE2-CG2 4.21Å; T533-V537 WeakPolarHBondContact O-CG2 3.48Å; T533-V537 PolarHBondContact O-N 3.41Å; Y534-V537 PolarHBondContact O-N 3.27Å; Y534-V537 VanDerWaalsContact O-N 3.08Å; V537-K539 PolarHBondContact O-N 3.24Å; V537-K539 VanDerWaalsContact O-N 3.08Å; V537-Q540 VanDerWaalsContact O-CB 3.31Å; V537-Q540 WeakPolarHBondContact O-CB 3.23Å; V537-Q540 PolarHBondContact O-N 2.81Å; V537-Y591 HydrophobicContact CG1-CE2 3.95Å |
| 538 | I | 87.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -22.8 | -175.2 | 68.4 | -179.6 | 0 | 0 | 0 | 113.7 | A336 Y534 F535 Q540 L541 R588 Y591 | A336-I538 HydrophobicContact CB-CD1 3.67Å; A336-I538 HydrophobicContact CB-CG1 4.41Å; Y534-I538 HydrophobicContact CD1-CD1 4.3Å; Y534-I538 HydrophobicContact CD1-CG2 4.23Å; Y534-I538 HydrophobicContact CD2-CG2 4.2Å; Y534-I538 HydrophobicContact CE1-CD1 4.08Å; Y534-I538 HydrophobicContact CE1-CG2 3.8Å; Y534-I538 HydrophobicContact CE2-CG2 3.77Å; Y534-I538 HydrophobicContact CG-CG2 4.42Å; Y534-I538 PolarHBondContact O-N 2.7Å; F535-I538 HydrophobicContact CD1-CD1 3.76Å; F535-I538 HydrophobicContact CD1-CG1 4.49Å; F535-I538 HydrophobicContact CE1-CD1 4.01Å; F535-I538 HydrophobicContact CG-CD1 4.48Å; I538-Q540 VanDerWaalsContact C-N 3.26Å; I538-Q540 PolarHBondContact O-N 3.15Å; I538-L541 PolarHBondContact O-N 3.33Å; I538-R588 HydrophobicContact CB-CB 4.43Å; I538-R588 WeakPolarHBondContact CB-O 3.45Å; I538-R588 WeakPolarHBondContact CG2-O 3.27Å; I538-R588 WeakPolarHBondContact O-CG 3.27Å; I538-Y591 HydrophobicContact CG2-CD2 4.15Å |
| 539 | K | 85.1 | Confident | 87 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.9 | 173.6 | -81.7 | -168.7 | 173.6 | -140.6 | 0 | 113.7 | L335 A336 F535 V537 R588 | L335-K539 WeakPolarHBondContact O-CE 3.42Å; A336-K539 WeakPolarHBondContact O-CG 3.24Å; F535-K539 WeakPolarHBondContact O-CG 3.18Å; V537-K539 PolarHBondContact O-N 3.24Å; V537-K539 VanDerWaalsContact O-N 3.08Å; K539-R588 PolarHBondContact O-NH2 2.89Å |
| 540 | Q | 82.6 | Confident | 87.4 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.3 | 174.8 | -58.9 | 179.7 | -10.2 | 0 | 0 | 111.8 | Q281 V537 I538 | Q281-Q540 PolarHBondContact O-NE2 3.19Å; V537-Q540 VanDerWaalsContact O-CB 3.31Å; V537-Q540 WeakPolarHBondContact O-CB 3.23Å; V537-Q540 PolarHBondContact O-N 2.81Å; I538-Q540 VanDerWaalsContact C-N 3.26Å; I538-Q540 PolarHBondContact O-N 3.15Å |
| 541 | L | 85.3 | Confident | 87.6 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | trans | -63.8 | 143.5 | 177.2 | -57.4 | 177.2 | 0 | 0 | 0 | 111.2 | I538 R588 Y591 | I538-L541 PolarHBondContact O-N 3.33Å; L541-R588 HydrophobicContact CB-CG 4.38Å; L541-R588 VanDerWaalsContact O-CZ 3.23Å; L541-R588 PolarHBondContact O-NE 3.32Å; L541-R588 PolarHBondContact O-NH2 2.97Å; L541-Y591 HydrophobicContact CD1-CD2 3.93Å; L541-Y591 HydrophobicContact CD1-CE2 4.28Å; L541-Y591 HydrophobicContact CD1-CG 4.22Å | ||
| 542 | Q | 88.7 | Confident | 87.7 | Confident | 141 Ų | 141 | 49.3 Ų | 49.3 | 66% | 0.659 | 25% | 0.25 | S | C | * | . | trans | -128.8 | 75.7 | -179.5 | -62.7 | -172.5 | 18.4 | 0 | 0 | 111 | V339 | V339-Q542 HydrophobicContact CG1-CB 4.25Å; V339-Q542 HydrophobicContact CG1-CG 4.38Å; V339-Q542 HydrophobicContact CG2-CB 4.48Å | ||
| 543 | P | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 146.7 | -174.2 | 25.3 | -35.1 | 0 | 0 | 0 | 113.6 | V339 R341 E584 A587 R588 E593 V595 | V339-P543 HydrophobicContact CG2-CG 4.19Å; R341-P543 PolarHBondContact NH2-O 3.49Å; P543-E584 HydrophobicContact CG-CB 4.21Å; P543-A587 HydrophobicContact CB-CB 4.13Å; P543-A587 HydrophobicContact CG-CB 4.26Å; P543-R588 HydrophobicContact CG-CG 3.99Å; P543-E593 WeakPolarHBondContact CA-O 3.25Å; P543-V595 HydrophobicContact CB-CG2 4.19Å |
| 544 | Q | 89.5 | Confident | 88.1 | Confident | 147 Ų | 147 | 46.9 Ų | 46.9 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.3 | 172.3 | -59.6 | -167.6 | 10.7 | 0 | 0 | 110.9 | E593 T594 V595 | Q544-E593 PolarHBondContact N-O 3.47Å; Q544-E593 VanDerWaalsContact N-O 3.1Å; Q544-T594 WeakPolarHBondContact O-CA 3.26Å; Q544-V595 PolarHBondContact O-N 2.82Å |
| 545 | V | 88.1 | Confident | 88.1 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.4 | -177.2 | -166.2 | 0 | 0 | 0 | 0 | 110.1 | A549 N550 E584 V595 | V545-A549 HydrophobicContact CG1-CB 3.94Å; V545-N550 WeakPolarHBondContact CG1-ND2 3.15Å; V545-N550 PolarHBondContact O-ND2 3.28Å; V545-N550 VanDerWaalsContact O-ND2 3.16Å; V545-E584 HydrophobicContact CG2-CG 3.9Å; V545-E584 WeakPolarHBondContact CG2-OE1 3.46Å; V545-V595 HydrophobicContact CB-CG2 4.46Å; V545-V595 HydrophobicContact CG1-CB 4.29Å; V545-V595 HydrophobicContact CG1-CG1 4.49Å; V545-V595 HydrophobicContact CG2-CG2 4.09Å |
| 546 | S | 92.1 | Very high | 88.1 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 157 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | E548 A549 N550 V595 | S546-E548 VanDerWaalsContact C-N 3.31Å; S546-E548 PolarHBondContact O-N 2.93Å; S546-A549 PolarHBondContact O-N 2.78Å; S546-A549 VanDerWaalsContact OG-CB 3.24Å; S546-A549 WeakPolarHBondContact OG-CB 3.46Å; S546-A549 PolarHBondContact OG-N 2.87Å; S546-N550 WeakPolarHBondContact O-CB 3.31Å; S546-N550 PolarHBondContact O-N 3.27Å; S546-N550 PolarHBondContact O-ND2 2.94Å; S546-V595 VanDerWaalsContact CB-O 3.32Å; S546-V595 WeakPolarHBondContact CB-O 3.43Å; S546-V595 PolarHBondContact OG-O 3.48Å |
| 547 | E | 88.6 | Confident | 88.3 | Confident | 173 Ų | 173 | 51 Ų | 51 | 81% | 0.808 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 178.7 | -61.1 | -170.8 | 165.3 | 0 | 0 | 112 | N550 C551 | E547-N550 PolarHBondContact O-N 2.85Å; E547-C551 WeakPolarHBondContact O-CB 3.45Å; E547-C551 PolarHBondContact O-N 2.88Å |
| 548 | E | 87.8 | Confident | 88.4 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.3 | -59.8 | 177.1 | 151 | 0 | 0 | 111.6 | S546 C551 I552 I597 | S546-E548 VanDerWaalsContact C-N 3.31Å; S546-E548 PolarHBondContact O-N 2.93Å; E548-C551 WeakPolarHBondContact O-CB 3.34Å; E548-C551 PolarHBondContact O-N 2.88Å; E548-I552 WeakPolarHBondContact O-CG1 3.11Å; E548-I552 PolarHBondContact O-N 2.82Å; E548-I552 VanDerWaalsContact O-N 3.16Å; E548-I597 HydrophobicContact CB-CG1 4.2Å |
| 549 | A | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V545 S546 C551 I552 L553 V595 A600 | V545-A549 HydrophobicContact CG1-CB 3.94Å; S546-A549 PolarHBondContact O-N 2.78Å; S546-A549 VanDerWaalsContact OG-CB 3.24Å; S546-A549 WeakPolarHBondContact OG-CB 3.46Å; S546-A549 PolarHBondContact OG-N 2.87Å; A549-C551 VanDerWaalsContact C-N 3.26Å; A549-C551 PolarHBondContact O-N 3.49Å; A549-I552 PolarHBondContact O-N 2.88Å; A549-L553 WeakPolarHBondContact O-CG 3.29Å; A549-L553 PolarHBondContact O-N 2.94Å; A549-V595 HydrophobicContact CB-CG1 4.34Å; A549-A600 HydrophobicContact CB-CB 3.9Å |
| 550 | N | 91.1 | Very high | 87.9 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 176.1 | -79.8 | -58.8 | 0 | 0 | 0 | 112.4 | V545 S546 E547 T554 | V545-N550 WeakPolarHBondContact CG1-ND2 3.15Å; V545-N550 PolarHBondContact O-ND2 3.28Å; V545-N550 VanDerWaalsContact O-ND2 3.16Å; S546-N550 WeakPolarHBondContact O-CB 3.31Å; S546-N550 PolarHBondContact O-N 3.27Å; S546-N550 PolarHBondContact O-ND2 2.94Å; E547-N550 PolarHBondContact O-N 2.85Å; N550-T554 WeakPolarHBondContact O-CB 3.32Å; N550-T554 PolarHBondContact O-N 2.96Å; N550-T554 PolarHBondContact O-OG1 2.96Å |
| 551 | C | 90.1 | Very high | 87.8 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 174.8 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | E547 E548 A549 L553 T554 R555 I651 | E547-C551 WeakPolarHBondContact O-CB 3.45Å; E547-C551 PolarHBondContact O-N 2.88Å; E548-C551 WeakPolarHBondContact O-CB 3.34Å; E548-C551 PolarHBondContact O-N 2.88Å; A549-C551 VanDerWaalsContact C-N 3.26Å; A549-C551 PolarHBondContact O-N 3.49Å; C551-L553 PolarHBondContact O-N 3.44Å; C551-T554 PolarHBondContact O-N 2.66Å; C551-R555 VanDerWaalsContact O-CB 3.27Å; C551-R555 WeakPolarHBondContact O-CB 3.48Å; C551-R555 PolarHBondContact O-N 3.05Å; C551-I651 HydrophobicContact CB-CD1 4.2Å |
| 552 | I | 89 | Confident | 87.5 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -51.5 | 178.4 | -64 | 165.5 | 0 | 0 | 0 | 111 | E548 A549 T554 R555 Y556 I597 L643 L646 L648 I651 | E548-I552 WeakPolarHBondContact O-CG1 3.11Å; E548-I552 PolarHBondContact O-N 2.82Å; E548-I552 VanDerWaalsContact O-N 3.16Å; A549-I552 PolarHBondContact O-N 2.88Å; I552-T554 PolarHBondContact O-N 2.65Å; I552-R555 PolarHBondContact O-N 3.21Å; I552-Y556 PolarHBondContact O-N 2.85Å; I552-I597 HydrophobicContact CD1-CB 4.45Å; I552-I597 HydrophobicContact CD1-CG1 4.3Å; I552-I597 HydrophobicContact CD1-CG2 3.93Å; I552-L643 HydrophobicContact CD1-CD2 4.06Å; I552-L643 HydrophobicContact CG1-CD2 3.99Å; I552-L646 HydrophobicContact CG2-CD1 3.94Å; I552-L648 HydrophobicContact CG1-CD1 4.06Å; I552-I651 HydrophobicContact CD1-CG2 4.22Å; I552-I651 HydrophobicContact CG1-CD1 4.41Å |
| 553 | L | 90.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | -177.9 | -61.2 | -174.5 | 0 | 0 | 0 | 112 | A549 C551 Y557 L576 L579 A583 A600 V604 | A549-L553 WeakPolarHBondContact O-CG 3.29Å; A549-L553 PolarHBondContact O-N 2.94Å; C551-L553 PolarHBondContact O-N 3.44Å; L553-Y557 WeakPolarHBondContact O-CB 3.46Å; L553-Y557 PolarHBondContact O-N 3.34Å; L553-L576 HydrophobicContact CB-CD1 4.28Å; L553-L579 HydrophobicContact CD1-CB 4.37Å; L553-L579 HydrophobicContact CD2-CB 4.21Å; L553-L579 HydrophobicContact CD2-CD2 4.37Å; L553-A583 HydrophobicContact CD1-CB 4.11Å; L553-A600 HydrophobicContact CD2-CB 4.1Å; L553-A600 HydrophobicContact CG-CB 4.36Å; L553-V604 HydrophobicContact CD2-CG2 3.82Å |
| 554 | T | 89.9 | Confident | 85.3 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.3 | N550 C551 I552 Y557 Q558 | N550-T554 WeakPolarHBondContact O-CB 3.32Å; N550-T554 PolarHBondContact O-N 2.96Å; N550-T554 PolarHBondContact O-OG1 2.96Å; C551-T554 PolarHBondContact O-N 2.66Å; I552-T554 PolarHBondContact O-N 2.65Å; T554-Y557 PolarHBondContact O-N 2.95Å; T554-Q558 WeakPolarHBondContact O-CG 3.43Å; T554-Q558 PolarHBondContact O-N 3.41Å |
| 555 | R | 87.7 | Confident | 83.6 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | -179.6 | -171.3 | 56.7 | 171.2 | 176.5 | -3.4 | 112.2 | C551 I552 Q558 L559 L646 L648 | C551-R555 VanDerWaalsContact O-CB 3.27Å; C551-R555 WeakPolarHBondContact O-CB 3.48Å; C551-R555 PolarHBondContact O-N 3.05Å; I552-R555 PolarHBondContact O-N 3.21Å; R555-Q558 VanDerWaalsContact NH1-OE1 3.09Å; R555-Q558 WeakPolarHBondContact O-CB 3.1Å; R555-Q558 PolarHBondContact O-N 2.82Å; R555-L559 PolarHBondContact O-N 2.95Å; R555-L646 HydrophobicContact CB-CD2 4.5Å; R555-L646 HydrophobicContact CG-CB 3.96Å; R555-L646 HydrophobicContact CG-CD2 4.16Å; R555-L646 VanDerWaalsContact CG-O 3.31Å; R555-L646 WeakPolarHBondContact CG-O 3.14Å; R555-L646 PolarHBondContact NE-O 2.99Å; R555-L648 HydrophobicContact CB-CD1 4.04Å; R555-L648 HydrophobicContact CG-CD1 4.09Å; R555-L648 HydrophobicContact CG-CD2 4.46Å; R555-L648 HydrophobicContact CG-CG 4.24Å |
| 556 | Y | 86.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 174.1 | 176.3 | -115.6 | 0 | 0 | 0 | 111.8 | I552 Q558 L559 Q560 M575 L579 V604 M607 E608 L616 L646 | I552-Y556 PolarHBondContact O-N 2.85Å; Y556-Q558 VanDerWaalsContact C-N 3.34Å; Y556-Q558 PolarHBondContact O-N 2.88Å; Y556-L559 PolarHBondContact O-N 2.88Å; Y556-Q560 PolarHBondContact O-N 2.62Å; Y556-M575 HydrophobicContact CD1-CE 4.43Å; Y556-M575 HydrophobicContact CE1-CE 3.67Å; Y556-L579 HydrophobicContact CD1-CD1 3.67Å; Y556-L579 HydrophobicContact CD1-CD2 4.04Å; Y556-L579 HydrophobicContact CE1-CD1 4.04Å; Y556-L579 HydrophobicContact CE1-CD2 4.05Å; Y556-V604 HydrophobicContact CD1-CB 4.47Å; Y556-V604 HydrophobicContact CD1-CG1 4.01Å; Y556-V604 HydrophobicContact CD1-CG2 3.85Å; Y556-V604 HydrophobicContact CD2-CG1 3.82Å; Y556-V604 HydrophobicContact CE1-CG1 4.11Å; Y556-V604 HydrophobicContact CE1-CG2 4.45Å; Y556-V604 HydrophobicContact CE2-CG1 3.93Å; Y556-V604 HydrophobicContact CG-CG1 3.88Å; Y556-V604 HydrophobicContact CG-CG2 4.06Å; Y556-M607 HydrophobicContact CE1-CB 4.34Å; Y556-M607 HydrophobicContact CE1-CG 4.17Å; Y556-E608 HydrophobicContact CE2-CG 4.24Å; Y556-E608 WeakPolarHBondContact CE2-OE1 3.38Å; Y556-E608 PolarHBondContact OH-OE1 3.33Å; Y556-L616 HydrophobicContact CD2-CD1 4.26Å; Y556-L616 HydrophobicContact CE2-CD1 4.43Å; Y556-L646 VanDerWaalsContact CA-CD2 3.43Å; Y556-L646 HydrophobicContact CD2-CD2 4.25Å |
| 557 | Y | 87.5 | Confident | 80.3 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 173.4 | 172.3 | -108.4 | 0 | 0 | 0 | 112.9 | L553 T554 R561 T572 M575 L576 | L553-Y557 WeakPolarHBondContact O-CB 3.46Å; L553-Y557 PolarHBondContact O-N 3.34Å; T554-Y557 PolarHBondContact O-N 2.95Å; Y557-R561 HydrophobicContact CD2-CG 4.29Å; Y557-R561 HydrophobicContact CE1-CG 4.31Å; Y557-R561 HydrophobicContact CE2-CG 3.9Å; Y557-R561 VanDerWaalsContact O-CB 3.31Å; Y557-R561 WeakPolarHBondContact O-CB 3.36Å; Y557-R561 VanDerWaalsContact O-CG 3.24Å; Y557-R561 WeakPolarHBondContact O-CG 3.44Å; Y557-R561 PolarHBondContact O-N 2.84Å; Y557-R561 PolarHBondContact OH-NE 3.22Å; Y557-R561 PolarHBondContact OH-NH2 2.91Å; Y557-T572 WeakPolarHBondContact CE2-O 3.2Å; Y557-M575 HydrophobicContact CD2-CB 4.38Å; Y557-M575 HydrophobicContact CD2-SD 4.37Å; Y557-L576 HydrophobicContact CD1-CB 4.38Å; Y557-L576 HydrophobicContact CD1-CD2 4.09Å; Y557-L576 HydrophobicContact CD2-CB 4.18Å; Y557-L576 HydrophobicContact CE1-CD2 4.47Å; Y557-L576 HydrophobicContact CG-CB 4.08Å; Y557-L576 HydrophobicContact CG-CD1 4.45Å; Y557-L576 HydrophobicContact CG-CD2 4.49Å |
| 558 | Q | 86.8 | Confident | 78.9 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 173.3 | -73.6 | 173.4 | 9.6 | 0 | 0 | 112.5 | T554 R555 Y556 Q562 | T554-Q558 WeakPolarHBondContact O-CG 3.43Å; T554-Q558 PolarHBondContact O-N 3.41Å; R555-Q558 VanDerWaalsContact NH1-OE1 3.09Å; R555-Q558 WeakPolarHBondContact O-CB 3.1Å; R555-Q558 PolarHBondContact O-N 2.82Å; Y556-Q558 VanDerWaalsContact C-N 3.34Å; Y556-Q558 PolarHBondContact O-N 2.88Å; Q558-Q562 WeakPolarHBondContact O-CG 3.33Å; Q558-Q562 PolarHBondContact O-N 2.79Å; Q558-Q562 PolarHBondContact O-NE2 3.03Å; Q558-Q562 VanDerWaalsContact O-NE2 3.07Å |
| 559 | L | 83.5 | Confident | 77.6 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -48.5 | 179.5 | 178.6 | 138.3 | 0 | 0 | 0 | 110.9 | R555 Y556 R561 Q562 Q563 A615 L616 L646 | R555-L559 PolarHBondContact O-N 2.95Å; Y556-L559 PolarHBondContact O-N 2.88Å; L559-R561 VanDerWaalsContact C-N 3.27Å; L559-R561 PolarHBondContact O-N 2.76Å; L559-Q562 PolarHBondContact O-N 3.36Å; L559-Q563 PolarHBondContact O-N 2.82Å; L559-A615 HydrophobicContact CD2-CB 3.95Å; L559-L616 HydrophobicContact CD1-CD2 4.44Å; L559-L616 HydrophobicContact CD2-CD1 4.47Å; L559-L616 HydrophobicContact CD2-CD2 4.42Å; L559-L616 HydrophobicContact CD2-CG 4.39Å; L559-L646 HydrophobicContact CB-CD2 4.4Å; L559-L646 HydrophobicContact CD1-CD2 4.39Å |
| 560 | Q | 79.9 | Confident | 76.6 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -37 | 178.2 | -157 | 67.8 | 26.5 | 0 | 0 | 111.9 | Y556 Q562 Q563 T571 M575 M611 A615 | Y556-Q560 PolarHBondContact O-N 2.62Å; Q560-Q562 PolarHBondContact O-N 2.87Å; Q560-Q563 PolarHBondContact O-N 3.04Å; Q560-T571 HydrophobicContact CB-CG2 4.28Å; Q560-T571 HydrophobicContact CG-CG2 3.59Å; Q560-M575 HydrophobicContact CB-CE 4.17Å; Q560-M575 HydrophobicContact CB-SD 4.44Å; Q560-M575 HydrophobicContact CG-CE 4Å; Q560-M575 HydrophobicContact CG-SD 4.32Å; Q560-M611 HydrophobicContact CG-CE 3.88Å; Q560-M611 HydrophobicContact CG-SD 3.99Å; Q560-A615 VanDerWaalsContact OE1-CB 3.3Å |
| 561 | R | 80.3 | Confident | 75.7 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 48% | 0.475 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -23 | 174.2 | -84.2 | -70.7 | -158.5 | 166.9 | 2.9 | 114.7 | Y557 L559 T571 | Y557-R561 HydrophobicContact CD2-CG 4.29Å; Y557-R561 HydrophobicContact CE1-CG 4.31Å; Y557-R561 HydrophobicContact CE2-CG 3.9Å; Y557-R561 VanDerWaalsContact O-CB 3.31Å; Y557-R561 WeakPolarHBondContact O-CB 3.36Å; Y557-R561 VanDerWaalsContact O-CG 3.24Å; Y557-R561 WeakPolarHBondContact O-CG 3.44Å; Y557-R561 PolarHBondContact O-N 2.84Å; Y557-R561 PolarHBondContact OH-NE 3.22Å; Y557-R561 PolarHBondContact OH-NH2 2.91Å; L559-R561 VanDerWaalsContact C-N 3.27Å; L559-R561 PolarHBondContact O-N 2.76Å; R561-T571 PolarHBondContact NE-O 3.31Å; R561-T571 PolarHBondContact NH1-O 3.24Å; R561-T571 PolarHBondContact NH2-O 2.84Å |
| 562 | Q | 79.5 | Confident | 75.3 | Confident | 149 Ų | 149 | 56.2 Ų | 56.2 | 70% | 0.696 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -90.2 | -27 | -178 | -72.2 | 166.9 | 45.9 | 0 | 0 | 113.1 | Q558 L559 Q560 | Q558-Q562 WeakPolarHBondContact O-CG 3.33Å; Q558-Q562 PolarHBondContact O-N 2.79Å; Q558-Q562 PolarHBondContact O-NE2 3.03Å; Q558-Q562 VanDerWaalsContact O-NE2 3.07Å; L559-Q562 PolarHBondContact O-N 3.36Å; Q560-Q562 PolarHBondContact O-N 2.87Å |
| 563 | Q | 70.3 | Confident | 75.1 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -88.4 | -15.5 | -175.4 | -63.6 | -175.4 | -0.4 | 0 | 0 | 114.3 | L559 Q560 G565 | L559-Q563 PolarHBondContact O-N 2.82Å; Q560-Q563 PolarHBondContact O-N 3.04Å; Q563-G565 PolarHBondContact O-N 3.46Å |
| 564 | D | 62 | Low | 74.8 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | trans | -84.5 | 93.5 | -152.7 | -158.6 | -8 | 0 | 0 | 0 | 116 | H566 S567 A568 T571 | D564-H566 PolarHBondContact OD1-N 2.87Å; D564-H566 VanDerWaalsContact OD1-N 3.1Å; D564-S567 WeakPolarHBondContact OD1-CA 3.39Å; D564-S567 PolarHBondContact OD1-N 2.91Å; D564-A568 VanDerWaalsContact CG-N 3.3Å; D564-A568 PolarHBondContact OD1-N 2.73Å; D564-A568 VanDerWaalsContact OD2-CA 3.3Å; D564-A568 WeakPolarHBondContact OD2-CA 3.33Å; D564-A568 PolarHBondContact OD2-N 2.82Å; D564-T571 HydrophobicContact CB-CG2 4.28Å; D564-T571 WeakPolarHBondContact OD2-CG2 3.15Å; D564-T571 PolarHBondContact OD2-OG1 2.77Å | ||
| 565 | G | 55.5 | Low | 74.7 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -94.3 | -11.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q563 | Q563-G565 PolarHBondContact O-N 3.46Š|
| 566 | H | 52.3 | Low | 74.8 | Confident | 186 Ų | 186 | 60.9 Ų | 60.9 | 86% | 0.861 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -130.7 | -16.5 | -166.2 | -76.8 | -75.8 | 0 | 0 | 0 | 115.8 | D564 | D564-H566 PolarHBondContact OD1-N 2.87Å; D564-H566 VanDerWaalsContact OD1-N 3.1Å |
| 567 | S | 58.3 | Low | 74.9 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | -129.3 | 19 | 179.8 | -102.5 | 0 | 0 | 0 | 0 | 114.2 | D564 A569 R570 | D564-S567 WeakPolarHBondContact OD1-CA 3.39Å; D564-S567 PolarHBondContact OD1-N 2.91Å; S567-A569 PolarHBondContact O-N 3.13Å; S567-R570 PolarHBondContact O-N 3.15Å; S567-R570 PolarHBondContact OG-NH2 3.03Å | ||
| 568 | A | 58.9 | Low | 75.1 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -12.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | D564 | D564-A568 VanDerWaalsContact CG-N 3.3Å; D564-A568 PolarHBondContact OD1-N 2.73Å; D564-A568 VanDerWaalsContact OD2-CA 3.3Å; D564-A568 WeakPolarHBondContact OD2-CA 3.33Å; D564-A568 PolarHBondContact OD2-N 2.82Å |
| 569 | A | 59.7 | Low | 75.3 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S484 S567 | S484-A569 WeakPolarHBondContact OG-CB 3.41Å; S567-A569 PolarHBondContact O-N 3.13Å |
| 570 | R | 69.1 | Low | 75.7 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -34.8 | -176.6 | -72.6 | -165.5 | -78.9 | -179.7 | -5 | 113.3 | S567 T572 S610 | S567-R570 PolarHBondContact O-N 3.15Å; S567-R570 PolarHBondContact OG-NH2 3.03Å; R570-T572 PolarHBondContact O-N 2.94Å; R570-S610 PolarHBondContact NH1-O 3.33Å |
| 571 | T | 73 | Confident | 76.4 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | trans | -73.1 | 57.9 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | Q560 R561 D564 M575 M611 | Q560-T571 HydrophobicContact CB-CG2 4.28Å; Q560-T571 HydrophobicContact CG-CG2 3.59Å; R561-T571 PolarHBondContact NE-O 3.31Å; R561-T571 PolarHBondContact NH1-O 3.24Å; R561-T571 PolarHBondContact NH2-O 2.84Å; D564-T571 HydrophobicContact CB-CG2 4.28Å; D564-T571 WeakPolarHBondContact OD2-CG2 3.15Å; D564-T571 PolarHBondContact OD2-OG1 2.77Å; T571-M575 HydrophobicContact CG2-SD 4.09Å; T571-M611 HydrophobicContact CG2-CE 4.32Å | ||
| 572 | T | 80.3 | Confident | 77 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -101.1 | 173.8 | 172.8 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | Y557 R570 R574 M575 | Y557-T572 WeakPolarHBondContact CE2-O 3.2Å; R570-T572 PolarHBondContact O-N 2.94Å; T572-R574 PolarHBondContact O-N 3.26Å; T572-R574 VanDerWaalsContact O-N 3.14Å; T572-R574 PolarHBondContact OG1-N 3.14Å; T572-M575 WeakPolarHBondContact O-CB 3.01Å; T572-M575 PolarHBondContact O-N 3.05Å |
| 573 | I | 84.6 | Confident | 77.7 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.7 | -30.8 | 177.4 | -62.9 | 171.6 | 0 | 0 | 0 | 111.5 | M575 L576 E577 | I573-M575 PolarHBondContact O-N 3.38Å; I573-M575 VanDerWaalsContact O-N 3.12Å; I573-L576 WeakPolarHBondContact O-CB 3.21Å; I573-L576 PolarHBondContact O-N 3.11Å; I573-E577 PolarHBondContact O-N 3.45Å |
| 574 | R | 86.1 | Confident | 78.8 | Confident | 81 Ų | 81 | 41.5 Ų | 41.5 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.6 | -31 | 173.5 | -64.1 | -174.4 | -174.3 | 78.7 | 4.9 | 112.9 | E439 S488 T572 L576 E577 S578 | E439-R574 IonicContact OE1-CZ 3.77Å; E439-R574 IonicContact OE1-NE 3.92Å; E439-R574 PolarHBondContact OE1-NE 3.48Å; E439-R574 IonicContact OE1-NH2 2.67Å; E439-R574 PolarHBondContact OE1-NH2 3.28Å; E439-R574 IonicContact OE2-CZ 3.22Å; E439-R574 IonicContact OE2-NE 2.69Å; E439-R574 IonicContact OE2-NH2 2.67Å; E439-R574 PolarHBondContact OE2-NH2 3.04Å; S488-R574 VanDerWaalsContact O-CD 3.32Å; S488-R574 WeakPolarHBondContact O-CD 3.4Å; T572-R574 PolarHBondContact O-N 3.26Å; T572-R574 VanDerWaalsContact O-N 3.14Å; T572-R574 PolarHBondContact OG1-N 3.14Å; R574-L576 VanDerWaalsContact C-N 3.31Å; R574-L576 PolarHBondContact O-N 3.4Å; R574-E577 WeakPolarHBondContact O-CB 3.39Å; R574-E577 PolarHBondContact O-N 3.3Å; R574-S578 WeakPolarHBondContact O-CB 3.46Å; R574-S578 PolarHBondContact O-N 3.25Å; R574-S578 PolarHBondContact O-OG 3.05Å |
| 575 | M | 86.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.4 | -171.8 | -171.6 | 172.6 | 0 | 0 | 112.2 | Y556 Y557 Q560 T571 T572 I573 S578 L579 M607 M611 | Y556-M575 HydrophobicContact CD1-CE 4.43Å; Y556-M575 HydrophobicContact CE1-CE 3.67Å; Y557-M575 HydrophobicContact CD2-CB 4.38Å; Y557-M575 HydrophobicContact CD2-SD 4.37Å; Q560-M575 HydrophobicContact CB-CE 4.17Å; Q560-M575 HydrophobicContact CB-SD 4.44Å; Q560-M575 HydrophobicContact CG-CE 4Å; Q560-M575 HydrophobicContact CG-SD 4.32Å; T571-M575 HydrophobicContact CG2-SD 4.09Å; T572-M575 WeakPolarHBondContact O-CB 3.01Å; T572-M575 PolarHBondContact O-N 3.05Å; I573-M575 PolarHBondContact O-N 3.38Å; I573-M575 VanDerWaalsContact O-N 3.12Å; M575-S578 WeakPolarHBondContact O-CB 3.28Å; M575-S578 PolarHBondContact O-N 2.91Å; M575-L579 HydrophobicContact CE-CD1 4.39Å; M575-L579 HydrophobicContact CG-CD1 4.4Å; M575-L579 WeakPolarHBondContact O-CB 3.42Å; M575-L579 WeakPolarHBondContact O-CD1 3.43Å; M575-L579 VanDerWaalsContact O-CG 3.29Å; M575-L579 WeakPolarHBondContact O-CG 3.28Å; M575-L579 PolarHBondContact O-N 3.21Å; M575-M607 HydrophobicContact CE-CE 4.06Å; M575-M607 HydrophobicContact CE-CG 4.14Å; M575-M607 HydrophobicContact CG-CE 3.61Å; M575-M611 HydrophobicContact CE-SD 3.73Å |
| 576 | L | 89.3 | Confident | 82.1 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.9 | -37.5 | 177.4 | -177 | 60.5 | 0 | 0 | 0 | 111.3 | L553 Y557 I573 R574 L579 S580 | L553-L576 HydrophobicContact CB-CD1 4.28Å; Y557-L576 HydrophobicContact CD1-CB 4.38Å; Y557-L576 HydrophobicContact CD1-CD2 4.09Å; Y557-L576 HydrophobicContact CD2-CB 4.18Å; Y557-L576 HydrophobicContact CE1-CD2 4.47Å; Y557-L576 HydrophobicContact CG-CB 4.08Å; Y557-L576 HydrophobicContact CG-CD1 4.45Å; Y557-L576 HydrophobicContact CG-CD2 4.49Å; I573-L576 WeakPolarHBondContact O-CB 3.21Å; I573-L576 PolarHBondContact O-N 3.11Å; R574-L576 VanDerWaalsContact C-N 3.31Å; R574-L576 PolarHBondContact O-N 3.4Å; L576-L579 PolarHBondContact O-N 3.1Å; L576-S580 PolarHBondContact O-N 2.87Å |
| 577 | E | 89.3 | Confident | 84.1 | Confident | 74 Ų | 74 | 27.7 Ų | 27.7 | 35% | 0.346 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 170.9 | -58.1 | 169.8 | -148.1 | 0 | 0 | 111.8 | I573 R574 L579 S580 R581 | I573-E577 PolarHBondContact O-N 3.45Å; R574-E577 WeakPolarHBondContact O-CB 3.39Å; R574-E577 PolarHBondContact O-N 3.3Å; E577-L579 PolarHBondContact O-N 3.02Å; E577-S580 PolarHBondContact O-N 2.96Å; E577-R581 VanDerWaalsContact O-CG 3.3Å; E577-R581 WeakPolarHBondContact O-CG 3.22Å; E577-R581 PolarHBondContact O-N 2.94Å; E577-R581 IonicContact OE2-CZ 3.89Å; E577-R581 IonicContact OE2-NH1 3.75Å; E577-R581 PolarHBondContact OE2-NH1 3.36Å; E577-R581 IonicContact OE2-NH2 2.76Å; E577-R581 PolarHBondContact OE2-NH2 3.03Å |
| 578 | S | 91 | Very high | 85.7 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.3 | -47.3 | 175.5 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | D491 R574 M575 S580 R581 L582 | D491-S578 WeakPolarHBondContact CA-OG 3.33Å; D491-S578 WeakPolarHBondContact CB-OG 3.49Å; D491-S578 WeakPolarHBondContact OD1-CA 3.48Å; D491-S578 VanDerWaalsContact OD1-CB 3.3Å; D491-S578 WeakPolarHBondContact OD1-CB 3.46Å; D491-S578 PolarHBondContact OD1-OG 3.16Å; R574-S578 WeakPolarHBondContact O-CB 3.46Å; R574-S578 PolarHBondContact O-N 3.25Å; R574-S578 PolarHBondContact O-OG 3.05Å; M575-S578 WeakPolarHBondContact O-CB 3.28Å; M575-S578 PolarHBondContact O-N 2.91Å; S578-S580 PolarHBondContact O-N 3.48Å; S578-R581 PolarHBondContact O-N 3.28Å; S578-L582 WeakPolarHBondContact O-CB 3.46Å; S578-L582 WeakPolarHBondContact O-CD1 3.4Å; S578-L582 WeakPolarHBondContact O-CG 3.33Å; S578-L582 PolarHBondContact O-N 3.42Å |
| 579 | L | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.1 | -77 | 163.3 | 0 | 0 | 0 | 112.3 | L553 Y556 M575 L576 E577 L582 A583 V604 M607 | L553-L579 HydrophobicContact CD1-CB 4.37Å; L553-L579 HydrophobicContact CD2-CB 4.21Å; L553-L579 HydrophobicContact CD2-CD2 4.37Å; Y556-L579 HydrophobicContact CD1-CD1 3.67Å; Y556-L579 HydrophobicContact CD1-CD2 4.04Å; Y556-L579 HydrophobicContact CE1-CD1 4.04Å; Y556-L579 HydrophobicContact CE1-CD2 4.05Å; M575-L579 HydrophobicContact CE-CD1 4.39Å; M575-L579 HydrophobicContact CG-CD1 4.4Å; M575-L579 WeakPolarHBondContact O-CB 3.42Å; M575-L579 WeakPolarHBondContact O-CD1 3.43Å; M575-L579 VanDerWaalsContact O-CG 3.29Å; M575-L579 WeakPolarHBondContact O-CG 3.28Å; M575-L579 PolarHBondContact O-N 3.21Å; L576-L579 PolarHBondContact O-N 3.1Å; E577-L579 PolarHBondContact O-N 3.02Å; L579-L582 PolarHBondContact O-N 3.23Å; L579-A583 WeakPolarHBondContact O-CB 3.31Å; L579-A583 PolarHBondContact O-N 2.93Å; L579-V604 HydrophobicContact CD2-CG2 4.23Å; L579-M607 HydrophobicContact CD2-CB 3.95Å; L579-M607 HydrophobicContact CD2-CG 4.04Å |
| 580 | S | 92.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 22.3 Ų | 22.3 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | L576 E577 S578 L582 A583 E584 | L576-S580 PolarHBondContact O-N 2.87Å; E577-S580 PolarHBondContact O-N 2.96Å; S578-S580 PolarHBondContact O-N 3.48Å; S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.13Å; S580-A583 PolarHBondContact O-N 2.95Å; S580-E584 WeakPolarHBondContact O-CB 2.84Å; S580-E584 WeakPolarHBondContact O-CG 3.38Å; S580-E584 PolarHBondContact O-N 2.91Å; S580-E584 PolarHBondContact OG-OE1 3.37Å |
| 581 | R | 93 | Very high | 89.7 | Confident | 14 Ų | 14 | 22.9 Ų | 22.9 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.4 | -69 | 169.9 | -173.4 | 119 | 14.9 | 112 | R350 D491 E577 S578 A585 | R350-R581 VanDerWaalsContact O-CZ 3.32Å; R350-R581 PolarHBondContact O-NE 3.39Å; R350-R581 PolarHBondContact O-NH2 3.06Å; D491-R581 IonicContact OD1-NH1 3.49Å; D491-R581 PolarHBondContact OD1-NH1 2.99Å; E577-R581 VanDerWaalsContact O-CG 3.3Å; E577-R581 WeakPolarHBondContact O-CG 3.22Å; E577-R581 PolarHBondContact O-N 2.94Å; E577-R581 IonicContact OE2-CZ 3.89Å; E577-R581 IonicContact OE2-NH1 3.75Å; E577-R581 PolarHBondContact OE2-NH1 3.36Å; E577-R581 IonicContact OE2-NH2 2.76Å; E577-R581 PolarHBondContact OE2-NH2 3.03Å; S578-R581 PolarHBondContact O-N 3.28Å; R581-A585 WeakPolarHBondContact O-CB 3.46Å; R581-A585 PolarHBondContact O-N 2.75Å |
| 582 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 179 | -72.1 | 168 | 0 | 0 | 0 | 111.7 | M333 L492 S578 L579 S580 A585 H586 A603 | M333-L582 HydrophobicContact CE-CB 3.87Å; M333-L582 HydrophobicContact CE-CD2 4.01Å; M333-L582 VanDerWaalsContact CE-O 3.28Å; M333-L582 WeakPolarHBondContact CE-O 3.41Å; L492-L582 HydrophobicContact CD1-CD1 4.33Å; L492-L582 HydrophobicContact CD1-CD2 3.74Å; L492-L582 HydrophobicContact CD2-CD1 3.77Å; L492-L582 HydrophobicContact CG-CD1 3.92Å; L492-L582 HydrophobicContact CG-CD2 4.06Å; S578-L582 WeakPolarHBondContact O-CB 3.46Å; S578-L582 WeakPolarHBondContact O-CD1 3.4Å; S578-L582 WeakPolarHBondContact O-CG 3.33Å; S578-L582 PolarHBondContact O-N 3.42Å; L579-L582 PolarHBondContact O-N 3.23Å; S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.13Å; L582-A585 PolarHBondContact O-N 3.41Å; L582-H586 PolarHBondContact O-N 2.74Å; L582-A603 HydrophobicContact CB-CB 4.05Å |
| 583 | A | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L553 L579 S580 H586 A587 V595 A603 | L553-A583 HydrophobicContact CD1-CB 4.11Å; L579-A583 WeakPolarHBondContact O-CB 3.31Å; L579-A583 PolarHBondContact O-N 2.93Å; S580-A583 PolarHBondContact O-N 2.95Å; A583-H586 PolarHBondContact O-N 2.96Å; A583-A587 PolarHBondContact O-N 3.42Å; A583-V595 HydrophobicContact CB-CG1 3.69Å; A583-A603 HydrophobicContact CB-CB 4.06Å |
| 584 | E | 93.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 170.3 | -72.6 | 169.5 | -167 | 0 | 0 | 112.5 | V339 R341 P543 V545 S580 H586 A587 R588 V595 | V339-E584 WeakPolarHBondContact CB-OE2 3.13Å; V339-E584 PolarHBondContact N-OE2 3.44Å; R341-E584 IonicContact CZ-OE1 3.91Å; R341-E584 IonicContact NH1-OE1 3.72Å; R341-E584 PolarHBondContact NH1-OE1 3.16Å; R341-E584 IonicContact NH2-OE1 3.21Å; R341-E584 PolarHBondContact NH2-OE1 3.42Å; R341-E584 IonicContact NH2-OE2 2.83Å; P543-E584 HydrophobicContact CG-CB 4.21Å; V545-E584 HydrophobicContact CG2-CG 3.9Å; V545-E584 WeakPolarHBondContact CG2-OE1 3.46Å; S580-E584 WeakPolarHBondContact O-CB 2.84Å; S580-E584 WeakPolarHBondContact O-CG 3.38Å; S580-E584 PolarHBondContact O-N 2.91Å; S580-E584 PolarHBondContact OG-OE1 3.37Å; E584-H586 VanDerWaalsContact C-N 3.34Å; E584-A587 PolarHBondContact O-N 2.86Å; E584-R588 PolarHBondContact O-N 3.02Å; E584-V595 HydrophobicContact CG-CG2 4.06Å |
| 585 | A | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.4 | -32.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M333 G337 R581 L582 L589 | M333-A585 HydrophobicContact CB-CB 4.34Å; M333-A585 WeakPolarHBondContact O-CB 3.39Å; G337-A585 WeakPolarHBondContact O-CA 3.36Å; G337-A585 WeakPolarHBondContact O-CB 3.28Å; R581-A585 WeakPolarHBondContact O-CB 3.46Å; R581-A585 PolarHBondContact O-N 2.75Å; L582-A585 PolarHBondContact O-N 3.41Å; A585-L589 WeakPolarHBondContact O-CB 3.14Å; A585-L589 PolarHBondContact O-N 3.34Å |
| 586 | H | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.3 | -49.5 | 170.1 | -166.3 | -88.9 | 0 | 0 | 0 | 110.8 | R310 M333 L582 A583 E584 R588 L589 M590 D599 | R310-H586 WeakPolarHBondContact CD-NE2 3.39Å; R310-H586 PolarHBondContact NH1-CE1 3.35Å; R310-H586 PolarHBondContact NH1-NE2 3.46Å; M333-H586 HydrophobicContact CE-CB 4.19Å; M333-H586 HydrophobicContact CG-CB 4.48Å; L582-H586 PolarHBondContact O-N 2.74Å; A583-H586 PolarHBondContact O-N 2.96Å; E584-H586 VanDerWaalsContact C-N 3.34Å; H586-R588 VanDerWaalsContact C-N 3.25Å; H586-R588 PolarHBondContact O-N 2.89Å; H586-L589 WeakPolarHBondContact O-CA 3.46Å; H586-L589 WeakPolarHBondContact O-CB 3.41Å; H586-L589 PolarHBondContact O-N 2.84Å; H586-M590 VanDerWaalsContact CE1-CG 3.44Å; H586-M590 WeakPolarHBondContact CE1-CG 3.48Å; H586-M590 VanDerWaalsContact O-CG 3.26Å; H586-M590 WeakPolarHBondContact O-CG 3.46Å; H586-M590 PolarHBondContact O-N 2.75Å; H586-D599 HydrophobicContact CB-CB 4.26Å; H586-D599 IonicContact CE1-OD1 2.79Å; H586-D599 IonicContact CG-OD1 3.37Å; H586-D599 IonicContact ND1-OD1 3.83Å; H586-D599 PolarHBondContact ND1-OD1 2.64Å |
| 587 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P543 A583 E584 M590 Y591 R592 V595 | P543-A587 HydrophobicContact CB-CB 4.13Å; P543-A587 HydrophobicContact CG-CB 4.26Å; A583-A587 PolarHBondContact O-N 3.42Å; E584-A587 PolarHBondContact O-N 2.86Å; A587-M590 CarbonylContact O-C 3.49Å; A587-M590 PolarHBondContact O-N 2.78Å; A587-Y591 PolarHBondContact O-N 2.98Å; A587-R592 HydrophobicContact CB-CB 4.22Å; A587-R592 WeakPolarHBondContact O-CB 3.34Å; A587-R592 PolarHBondContact O-N 2.85Å; A587-V595 HydrophobicContact CB-CB 4.4Å; A587-V595 HydrophobicContact CB-CG2 3.9Å |
| 588 | R | 92 | Very high | 91.6 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 6% | 0.064 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 170 | -82.5 | 171.9 | 159.5 | -178.9 | -3.7 | 113.4 | A336 G337 G338 I538 K539 L541 P543 E584 H586 M590 Y591 | A336-R588 HydrophobicContact CB-CB 4.25Å; G337-R588 VanDerWaalsContact C-NH1 3.33Å; G337-R588 WeakPolarHBondContact O-CD 3.49Å; G337-R588 PolarHBondContact O-NH1 3.04Å; G338-R588 VanDerWaalsContact C-NH1 3.27Å; G338-R588 PolarHBondContact O-NH1 2.64Å; I538-R588 HydrophobicContact CB-CB 4.43Å; I538-R588 WeakPolarHBondContact CB-O 3.45Å; I538-R588 WeakPolarHBondContact CG2-O 3.27Å; I538-R588 WeakPolarHBondContact O-CG 3.27Å; K539-R588 PolarHBondContact O-NH2 2.89Å; L541-R588 HydrophobicContact CB-CG 4.38Å; L541-R588 VanDerWaalsContact O-CZ 3.23Å; L541-R588 PolarHBondContact O-NE 3.32Å; L541-R588 PolarHBondContact O-NH2 2.97Å; P543-R588 HydrophobicContact CG-CG 3.99Å; E584-R588 PolarHBondContact O-N 3.02Å; H586-R588 VanDerWaalsContact C-N 3.25Å; H586-R588 PolarHBondContact O-N 2.89Å; R588-M590 PolarHBondContact O-N 2.91Å; R588-Y591 PolarHBondContact O-N 2.87Å |
| 589 | L | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.6 | -30 | 177 | -175.3 | 66 | 0 | 0 | 0 | 112 | W299 L329 A332 M333 Y534 F535 A585 H586 | W299-L589 WeakPolarHBondContact CZ2-O 3.46Å; L329-L589 HydrophobicContact CD1-CD2 4.41Å; A332-L589 HydrophobicContact CB-CD1 4.02Å; A332-L589 HydrophobicContact CB-CD2 3.69Å; M333-L589 HydrophobicContact CG-CD2 4.39Å; Y534-L589 HydrophobicContact CE1-CD1 4.47Å; Y534-L589 PolarHBondContact OH-O 3.38Å; F535-L589 HydrophobicContact CE1-CD1 4.36Å; F535-L589 HydrophobicContact CZ-CD1 4.24Å; A585-L589 WeakPolarHBondContact O-CB 3.14Å; A585-L589 PolarHBondContact O-N 3.34Å; H586-L589 WeakPolarHBondContact O-CA 3.46Å; H586-L589 WeakPolarHBondContact O-CB 3.41Å; H586-L589 PolarHBondContact O-N 2.84Å |
| 590 | M | 89.9 | Confident | 91.6 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 6 | 176.7 | -55.6 | -60.8 | -68.6 | 0 | 0 | 114.6 | W299 P306 R310 H586 A587 R588 R592 | W299-M590 HydrophobicContact CH2-CE 3.99Å; W299-M590 HydrophobicContact CH2-SD 3.97Å; W299-M590 HydrophobicContact CZ3-CE 3.94Å; P306-M590 HydrophobicContact CB-CE 3.68Å; P306-M590 WeakPolarHBondContact O-CE 3.47Å; R310-M590 HydrophobicContact CB-CE 4.15Å; R310-M590 HydrophobicContact CB-SD 3.67Å; R310-M590 HydrophobicContact CG-SD 3.76Å; H586-M590 VanDerWaalsContact CE1-CG 3.44Å; H586-M590 WeakPolarHBondContact CE1-CG 3.48Å; H586-M590 VanDerWaalsContact O-CG 3.26Å; H586-M590 WeakPolarHBondContact O-CG 3.46Å; H586-M590 PolarHBondContact O-N 2.75Å; A587-M590 CarbonylContact O-C 3.49Å; A587-M590 PolarHBondContact O-N 2.78Å; R588-M590 PolarHBondContact O-N 2.91Å; M590-R592 HydrophobicContact CB-CG 3.99Å; M590-R592 PolarHBondContact O-N 2.83Å |
| 591 | Y | 89.5 | Confident | 91.4 | Very high | 45 Ų | 45 | 20.2 Ų | 20.2 | 18% | 0.176 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 40.4 | -176.2 | -154.1 | -98.5 | 0 | 0 | 0 | 114.2 | E296 W299 Y534 V537 I538 L541 A587 R588 | E296-Y591 HydrophobicContact CG-CE1 3.65Å; E296-Y591 PolarHBondContact OE1-OH 2.86Å; W299-Y591 VanDerWaalsContact CD1-CB 3.48Å; W299-Y591 AromaticContact CD1-CG 3.97Å; Y534-Y591 HydrophobicContact CE2-CD2 4.32Å; V537-Y591 HydrophobicContact CG1-CE2 3.95Å; I538-Y591 HydrophobicContact CG2-CD2 4.15Å; L541-Y591 HydrophobicContact CD1-CD2 3.93Å; L541-Y591 HydrophobicContact CD1-CE2 4.28Å; L541-Y591 HydrophobicContact CD1-CG 4.22Å; A587-Y591 PolarHBondContact O-N 2.98Å; R588-Y591 PolarHBondContact O-N 2.87Å |
| 592 | R | 88.7 | Confident | 91.2 | Very high | 45 Ų | 45 | 19.9 Ų | 19.9 | 17% | 0.17 | 10% | 0.098 | C | C | . | . | trans | -107.3 | 141.8 | -178.3 | -63.7 | 174.1 | 174.6 | 173.3 | -8.1 | 112.9 | A587 M590 T596 E598 D599 | A587-R592 HydrophobicContact CB-CB 4.22Å; A587-R592 WeakPolarHBondContact O-CB 3.34Å; A587-R592 PolarHBondContact O-N 2.85Å; M590-R592 HydrophobicContact CB-CG 3.99Å; M590-R592 PolarHBondContact O-N 2.83Å; R592-T596 PolarHBondContact NH1-OG1 3.15Å; R592-E598 IonicContact CZ-OE2 3.13Å; R592-E598 VanDerWaalsContact CZ-OE2 3.22Å; R592-E598 IonicContact NH1-OE2 3.63Å; R592-E598 PolarHBondContact NH1-OE2 2.89Å; R592-E598 IonicContact NH2-OE2 2.74Å; R592-E598 PolarHBondContact NH2-OE2 2.99Å; R592-D599 IonicContact NH1-OD1 3.13Å; R592-D599 PolarHBondContact NH1-OD1 2.94Å; R592-D599 IonicContact NH1-OD2 3.54Å; R592-D599 PolarHBondContact NH1-OD2 2.89Å | ||
| 593 | E | 89.3 | Confident | 91 | Very high | 151 Ų | 151 | 19.9 Ų | 19.9 | 71% | 0.706 | 10% | 0.098 | S | C | * | . | S | Bend | trans | -85.6 | -10.6 | 171.4 | -60.4 | -168 | 145.9 | 0 | 0 | 113.8 | P543 Q544 | P543-E593 WeakPolarHBondContact CA-O 3.25Å; Q544-E593 PolarHBondContact N-O 3.47Å; Q544-E593 VanDerWaalsContact N-O 3.1Å |
| 594 | T | 91.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 19.9 Ų | 19.9 | 52% | 0.515 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.4 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | Q544 | Q544-T594 WeakPolarHBondContact O-CA 3.26Å |
| 595 | V | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.2 | 175.3 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | P543 Q544 V545 S546 A549 A583 E584 A587 D599 | P543-V595 HydrophobicContact CB-CG2 4.19Å; Q544-V595 PolarHBondContact O-N 2.82Å; V545-V595 HydrophobicContact CB-CG2 4.46Å; V545-V595 HydrophobicContact CG1-CB 4.29Å; V545-V595 HydrophobicContact CG1-CG1 4.49Å; V545-V595 HydrophobicContact CG2-CG2 4.09Å; S546-V595 VanDerWaalsContact CB-O 3.32Å; S546-V595 WeakPolarHBondContact CB-O 3.43Å; S546-V595 PolarHBondContact OG-O 3.48Å; A549-V595 HydrophobicContact CB-CG1 4.34Å; A583-V595 HydrophobicContact CB-CG1 3.69Å; E584-V595 HydrophobicContact CG-CG2 4.06Å; A587-V595 HydrophobicContact CB-CB 4.4Å; A587-V595 HydrophobicContact CB-CG2 3.9Å; V595-D599 HydrophobicContact CG1-CB 3.69Å |
| 596 | T | 91.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 20.4 Ų | 20.4 | 25% | 0.245 | 10% | 0.102 | C | C | . | . | trans | -96.5 | 175.2 | -178.7 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | R592 E598 D599 A600 | R592-T596 PolarHBondContact NH1-OG1 3.15Å; T596-E598 PolarHBondContact O-N 3.07Å; T596-E598 WeakPolarHBondContact OG1-CB 3.49Å; T596-E598 PolarHBondContact OG1-N 2.94Å; T596-D599 WeakPolarHBondContact CB-OD2 3.43Å; T596-D599 PolarHBondContact N-OD2 2.93Å; T596-D599 PolarHBondContact O-N 3.29Å; T596-D599 PolarHBondContact OG1-OD2 3.45Å; T596-A600 PolarHBondContact O-N 2.89Å; T596-A600 VanDerWaalsContact O-N 3.17Å | ||
| 597 | I | 89.3 | Confident | 89.8 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 5% | 0.046 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.8 | -41.6 | 169 | -63 | 168.2 | 0 | 0 | 0 | 110.8 | E548 I552 D599 A600 V601 I651 E655 | E548-I597 HydrophobicContact CB-CG1 4.2Å; I552-I597 HydrophobicContact CD1-CB 4.45Å; I552-I597 HydrophobicContact CD1-CG1 4.3Å; I552-I597 HydrophobicContact CD1-CG2 3.93Å; I597-D599 VanDerWaalsContact C-N 3.28Å; I597-D599 PolarHBondContact O-N 2.56Å; I597-A600 PolarHBondContact O-N 3.41Å; I597-V601 HydrophobicContact CG2-CG2 3.97Å; I597-V601 WeakPolarHBondContact O-CB 3.45Å; I597-V601 WeakPolarHBondContact O-CG2 3.35Å; I597-V601 PolarHBondContact O-N 2.72Å; I597-I651 HydrophobicContact CD1-CG2 3.73Å; I597-I651 HydrophobicContact CG1-CG2 4.27Å; I597-E655 HydrophobicContact CD1-CB 4.4Å; I597-E655 HydrophobicContact CG2-CG 4.25Å |
| 598 | E | 87.6 | Confident | 89.2 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | -179.6 | -53.4 | 176.9 | 172.9 | 0 | 0 | 112.8 | R592 T596 T602 Y635 R658 | R592-E598 IonicContact CZ-OE2 3.13Å; R592-E598 VanDerWaalsContact CZ-OE2 3.22Å; R592-E598 IonicContact NH1-OE2 3.63Å; R592-E598 PolarHBondContact NH1-OE2 2.89Å; R592-E598 IonicContact NH2-OE2 2.74Å; R592-E598 PolarHBondContact NH2-OE2 2.99Å; T596-E598 PolarHBondContact O-N 3.07Å; T596-E598 WeakPolarHBondContact OG1-CB 3.49Å; T596-E598 PolarHBondContact OG1-N 2.94Å; E598-T602 VanDerWaalsContact O-CB 3.31Å; E598-T602 WeakPolarHBondContact O-CB 3.49Å; E598-T602 PolarHBondContact O-N 2.73Å; E598-T602 PolarHBondContact O-OG1 2.93Å; E598-Y635 WeakPolarHBondContact CA-OH 3.29Å; E598-Y635 HydrophobicContact CB-CE2 4.09Å; E598-Y635 HydrophobicContact CG-CE1 4.12Å; E598-Y635 HydrophobicContact CG-CE2 4.32Å; E598-Y635 WeakPolarHBondContact CG-OH 3.42Å; E598-Y635 PolarHBondContact N-OH 2.84Å; E598-R658 IonicContact OE1-CZ 3.75Å; E598-R658 VanDerWaalsContact OE1-CZ 3.24Å; E598-R658 IonicContact OE1-NH1 3.85Å; E598-R658 PolarHBondContact OE1-NH1 3.34Å; E598-R658 IonicContact OE1-NH2 3.69Å; E598-R658 PolarHBondContact OE1-NH2 3.21Å |
| 599 | D | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -73.6 | -40.6 | -178.2 | -53.2 | -62.9 | 0 | 0 | 0 | 110.6 | H586 R592 V595 T596 I597 A603 | H586-D599 HydrophobicContact CB-CB 4.26Å; H586-D599 IonicContact CE1-OD1 2.79Å; H586-D599 IonicContact CG-OD1 3.37Å; H586-D599 IonicContact ND1-OD1 3.83Å; H586-D599 PolarHBondContact ND1-OD1 2.64Å; R592-D599 IonicContact NH1-OD1 3.13Å; R592-D599 PolarHBondContact NH1-OD1 2.94Å; R592-D599 IonicContact NH1-OD2 3.54Å; R592-D599 PolarHBondContact NH1-OD2 2.89Å; V595-D599 HydrophobicContact CG1-CB 3.69Å; T596-D599 WeakPolarHBondContact CB-OD2 3.43Å; T596-D599 PolarHBondContact N-OD2 2.93Å; T596-D599 PolarHBondContact O-N 3.29Å; T596-D599 PolarHBondContact OG1-OD2 3.45Å; I597-D599 VanDerWaalsContact C-N 3.28Å; I597-D599 PolarHBondContact O-N 2.56Å; D599-A603 WeakPolarHBondContact O-CB 3.42Å; D599-A603 PolarHBondContact O-N 2.9Å |
| 600 | A | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.7 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A549 L553 T596 I597 A603 V604 | A549-A600 HydrophobicContact CB-CB 3.9Å; L553-A600 HydrophobicContact CD2-CB 4.1Å; L553-A600 HydrophobicContact CG-CB 4.36Å; T596-A600 PolarHBondContact O-N 2.89Å; T596-A600 VanDerWaalsContact O-N 3.17Å; I597-A600 PolarHBondContact O-N 3.41Å; A600-A603 PolarHBondContact O-N 2.69Å; A600-V604 WeakPolarHBondContact O-CG2 3.25Å; A600-V604 PolarHBondContact O-N 2.93Å |
| 601 | V | 88.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I597 V604 S605 Y635 L642 | I597-V601 HydrophobicContact CG2-CG2 3.97Å; I597-V601 WeakPolarHBondContact O-CB 3.45Å; I597-V601 WeakPolarHBondContact O-CG2 3.35Å; I597-V601 PolarHBondContact O-N 2.72Å; V601-V604 PolarHBondContact O-N 3.47Å; V601-S605 PolarHBondContact O-N 3.35Å; V601-Y635 HydrophobicContact CB-CE2 4.12Å; V601-Y635 HydrophobicContact CG1-CD2 4.49Å; V601-Y635 HydrophobicContact CG1-CE2 3.98Å; V601-L642 HydrophobicContact CG1-CD1 3.87Å |
| 602 | T | 88.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | R310 L329 E598 V604 S605 V606 | R310-T602 PolarHBondContact NH1-OG1 2.92Å; R310-T602 VanDerWaalsContact NH1-OG1 3.17Å; L329-T602 HydrophobicContact CD2-CG2 3.84Å; E598-T602 VanDerWaalsContact O-CB 3.31Å; E598-T602 WeakPolarHBondContact O-CB 3.49Å; E598-T602 PolarHBondContact O-N 2.73Å; E598-T602 PolarHBondContact O-OG1 2.93Å; T602-V604 PolarHBondContact O-N 3.39Å; T602-S605 PolarHBondContact O-N 2.71Å; T602-V606 HydrophobicContact CG2-CG2 4.47Å; T602-V606 WeakPolarHBondContact O-CG2 3.44Å; T602-V606 PolarHBondContact O-N 2.73Å |
| 603 | A | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M333 L582 A583 D599 A600 V606 M607 | M333-A603 HydrophobicContact CE-CB 4.47Å; L582-A603 HydrophobicContact CB-CB 4.05Å; A583-A603 HydrophobicContact CB-CB 4.06Å; D599-A603 WeakPolarHBondContact O-CB 3.42Å; D599-A603 PolarHBondContact O-N 2.9Å; A600-A603 PolarHBondContact O-N 2.69Å; A603-V606 PolarHBondContact O-N 3.04Å; A603-M607 WeakPolarHBondContact O-CB 3.38Å; A603-M607 PolarHBondContact O-N 2.74Å |
| 604 | V | 88.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L553 Y556 L579 A600 V601 T602 V606 M607 E608 L642 | L553-V604 HydrophobicContact CD2-CG2 3.82Å; Y556-V604 HydrophobicContact CD1-CB 4.47Å; Y556-V604 HydrophobicContact CD1-CG1 4.01Å; Y556-V604 HydrophobicContact CD1-CG2 3.85Å; Y556-V604 HydrophobicContact CD2-CG1 3.82Å; Y556-V604 HydrophobicContact CE1-CG1 4.11Å; Y556-V604 HydrophobicContact CE1-CG2 4.45Å; Y556-V604 HydrophobicContact CE2-CG1 3.93Å; Y556-V604 HydrophobicContact CG-CG1 3.88Å; Y556-V604 HydrophobicContact CG-CG2 4.06Å; L579-V604 HydrophobicContact CD2-CG2 4.23Å; A600-V604 WeakPolarHBondContact O-CG2 3.25Å; A600-V604 PolarHBondContact O-N 2.93Å; V601-V604 PolarHBondContact O-N 3.47Å; T602-V604 PolarHBondContact O-N 3.39Å; V604-V606 VanDerWaalsContact C-N 3.33Å; V604-V606 PolarHBondContact O-N 3Å; V604-M607 PolarHBondContact O-N 2.85Å; V604-M607 VanDerWaalsContact O-N 3.15Å; V604-E608 HydrophobicContact CG1-CG 4.48Å; V604-E608 WeakPolarHBondContact O-CG 3.43Å; V604-E608 PolarHBondContact O-N 2.96Å; V604-L642 HydrophobicContact CG1-CD1 4.32Å; V604-L642 HydrophobicContact CG1-CD2 3.96Å |
| 605 | S | 86 | Confident | 80.1 | Confident | 12 Ų | 12 | 13.3 Ų | 13.3 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | V601 T602 C609 L617 Q638 | V601-S605 PolarHBondContact O-N 3.35Å; T602-S605 PolarHBondContact O-N 2.71Å; S605-C609 PolarHBondContact O-N 2.92Å; S605-C609 PolarHBondContact O-SG 3.48Å; S605-C609 VanDerWaalsContact O-SG 3.38Å; S605-L617 WeakPolarHBondContact OG-CD1 3.18Å; S605-Q638 PolarHBondContact OG-NE2 3.38Å |
| 606 | V | 87.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -72.1 | -34.1 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | L329 A330 M333 L492 T602 A603 V604 C609 S610 | L329-V606 HydrophobicContact CD2-CG2 3.71Å; L329-V606 HydrophobicContact CG-CG2 4.09Å; A330-V606 HydrophobicContact CB-CG1 4.03Å; M333-V606 HydrophobicContact SD-CG2 4.3Å; L492-V606 HydrophobicContact CD1-CG1 3.79Å; L492-V606 HydrophobicContact CD2-CG1 4.04Å; T602-V606 HydrophobicContact CG2-CG2 4.47Å; T602-V606 WeakPolarHBondContact O-CG2 3.44Å; T602-V606 PolarHBondContact O-N 2.73Å; A603-V606 PolarHBondContact O-N 3.04Å; V604-V606 VanDerWaalsContact C-N 3.33Å; V604-V606 PolarHBondContact O-N 3Å; V606-C609 PolarHBondContact O-N 3.19Å; V606-S610 PolarHBondContact O-N 3.34Å |
| 607 | M | 86.2 | Confident | 76.7 | Confident | 15 Ų | 15 | 14.9 Ų | 14.9 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 175.9 | -165.8 | 60.7 | 159.9 | 0 | 0 | 112.3 | L492 Y556 M575 L579 A603 V604 C609 S610 M611 | L492-M607 HydrophobicContact CD2-SD 3.89Å; Y556-M607 HydrophobicContact CE1-CB 4.34Å; Y556-M607 HydrophobicContact CE1-CG 4.17Å; M575-M607 HydrophobicContact CE-CE 4.06Å; M575-M607 HydrophobicContact CE-CG 4.14Å; M575-M607 HydrophobicContact CG-CE 3.61Å; L579-M607 HydrophobicContact CD2-CB 3.95Å; L579-M607 HydrophobicContact CD2-CG 4.04Å; A603-M607 WeakPolarHBondContact O-CB 3.38Å; A603-M607 PolarHBondContact O-N 2.74Å; V604-M607 PolarHBondContact O-N 2.85Å; V604-M607 VanDerWaalsContact O-N 3.15Å; M607-C609 VanDerWaalsContact C-N 3.33Å; M607-C609 PolarHBondContact O-N 2.95Å; M607-S610 CarbonylContact O-C 3.4Å; M607-S610 WeakPolarHBondContact O-CA 3.42Å; M607-S610 VanDerWaalsContact O-CB 3.31Å; M607-S610 WeakPolarHBondContact O-CB 3.16Å; M607-S610 PolarHBondContact O-N 3.48Å; M607-M611 PolarHBondContact O-N 2.9Å; M607-M611 VanDerWaalsContact O-N 3.12Å |
| 608 | E | 81.3 | Confident | 75 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.2 | -47.5 | 171.9 | -79.6 | -73.3 | 102 | 0 | 0 | 111.4 | Y556 V604 S610 M611 G614 A615 L616 L617 | Y556-E608 HydrophobicContact CE2-CG 4.24Å; Y556-E608 WeakPolarHBondContact CE2-OE1 3.38Å; Y556-E608 PolarHBondContact OH-OE1 3.33Å; V604-E608 HydrophobicContact CG1-CG 4.48Å; V604-E608 WeakPolarHBondContact O-CG 3.43Å; V604-E608 PolarHBondContact O-N 2.96Å; E608-S610 PolarHBondContact O-N 3.14Å; E608-S610 VanDerWaalsContact O-N 3.14Å; E608-M611 PolarHBondContact O-N 3.36Å; E608-M611 VanDerWaalsContact O-N 3.08Å; E608-G614 VanDerWaalsContact OE2-C 3.25Å; E608-G614 WeakPolarHBondContact OE2-CA 3.42Å; E608-A615 PolarHBondContact OE1-N 3.47Å; E608-A615 PolarHBondContact OE2-N 3.02Å; E608-L616 PolarHBondContact OE2-N 3.18Å; E608-L617 HydrophobicContact CB-CB 4.43Å; E608-L617 HydrophobicContact CB-CD1 4.05Å; E608-L617 HydrophobicContact CG-CD1 4.26Å; E608-L617 HydrophobicContact CG-CG 4.48Å; E608-L617 PolarHBondContact OE2-N 3.35Å; E608-L617 VanDerWaalsContact OE2-N 3.14Å |
| 609 | C | 78.7 | Confident | 73.4 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 14% | 0.142 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.6 | 175 | -65.5 | 0 | 0 | 0 | 0 | 114.7 | V326 S605 V606 M607 | V326-C609 HydrophobicContact CG1-CB 3.86Å; S605-C609 PolarHBondContact O-N 2.92Å; S605-C609 PolarHBondContact O-SG 3.48Å; S605-C609 VanDerWaalsContact O-SG 3.38Å; V606-C609 PolarHBondContact O-N 3.19Å; M607-C609 VanDerWaalsContact C-N 3.33Å; M607-C609 PolarHBondContact O-N 2.95Å |
| 610 | S | 78.6 | Confident | 71.8 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -17 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 113 | V493 R570 V606 M607 E608 | V493-S610 PolarHBondContact N-OG 3.29Å; V493-S610 PolarHBondContact O-OG 2.96Å; R570-S610 PolarHBondContact NH1-O 3.33Å; V606-S610 PolarHBondContact O-N 3.34Å; M607-S610 CarbonylContact O-C 3.4Å; M607-S610 WeakPolarHBondContact O-CA 3.42Å; M607-S610 VanDerWaalsContact O-CB 3.31Å; M607-S610 WeakPolarHBondContact O-CB 3.16Å; M607-S610 PolarHBondContact O-N 3.48Å; E608-S610 PolarHBondContact O-N 3.14Å; E608-S610 VanDerWaalsContact O-N 3.14Å |
| 611 | M | 72 | Confident | 70.2 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.069 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -89.5 | 138.2 | 177.3 | -63.7 | -161.6 | 68.3 | 0 | 0 | 110.8 | Q560 T571 M575 M607 E608 G613 | Q560-M611 HydrophobicContact CG-CE 3.88Å; Q560-M611 HydrophobicContact CG-SD 3.99Å; T571-M611 HydrophobicContact CG2-CE 4.32Å; M575-M611 HydrophobicContact CE-SD 3.73Å; M607-M611 PolarHBondContact O-N 2.9Å; M607-M611 VanDerWaalsContact O-N 3.12Å; E608-M611 PolarHBondContact O-N 3.36Å; E608-M611 VanDerWaalsContact O-N 3.08Å; M611-G613 PolarHBondContact O-N 2.94Å |
| 612 | Q | 60.8 | Low | 68.8 | Low | 63 Ų | 63 | 28 Ų | 28 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -83.4 | 102.7 | 179.9 | -174.8 | 94.6 | 38.8 | 0 | 0 | 106.9 | Y470 | Y470-Q612 PolarHBondContact OH-OE1 3.27Š|
| 613 | G | 50.4 | Low | 67.3 | Low | 38 Ų | 38 | 28.7 Ų | 28.7 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 86 | 73 | -165 | 0 | 0 | 0 | 0 | 0 | 111.6 | M611 N619 | M611-G613 PolarHBondContact O-N 2.94Å; G613-N619 VanDerWaalsContact CA-OD1 3.25Å; G613-N619 WeakPolarHBondContact CA-OD1 3.28Å; G613-N619 PolarHBondContact N-OD1 2.89Å; G613-N619 VanDerWaalsContact N-OD1 3.13Å |
| 614 | G | 52.7 | Low | 65.8 | Low | 13 Ų | 13 | 31.2 Ų | 31.2 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | trans | -59.3 | 135.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E608 L616 | E608-G614 VanDerWaalsContact OE2-C 3.25Å; E608-G614 WeakPolarHBondContact OE2-CA 3.42Å; G614-L616 PolarHBondContact O-N 2.9Å | ||
| 615 | A | 49 | Very low | 64.7 | Low | 26 Ų | 26 | 31.9 Ų | 31.9 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L559 Q560 E608 | L559-A615 HydrophobicContact CD2-CB 3.95Å; Q560-A615 VanDerWaalsContact OE1-CB 3.3Å; E608-A615 PolarHBondContact OE1-N 3.47Å; E608-A615 PolarHBondContact OE2-N 3.02Å |
| 616 | L | 54.4 | Low | 63.4 | Low | 42 Ų | 42 | 35.5 Ų | 35.5 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -34.9 | -170.3 | -61.9 | 174.9 | 0 | 0 | 0 | 112.5 | Y556 L559 E608 G614 L642 L646 | Y556-L616 HydrophobicContact CD2-CD1 4.26Å; Y556-L616 HydrophobicContact CE2-CD1 4.43Å; L559-L616 HydrophobicContact CD1-CD2 4.44Å; L559-L616 HydrophobicContact CD2-CD1 4.47Å; L559-L616 HydrophobicContact CD2-CD2 4.42Å; L559-L616 HydrophobicContact CD2-CG 4.39Å; E608-L616 PolarHBondContact OE2-N 3.18Å; G614-L616 PolarHBondContact O-N 2.9Å; L616-L642 HydrophobicContact CB-CD2 3.83Å; L616-L642 HydrophobicContact CD1-CD2 3.59Å; L616-L642 HydrophobicContact CG-CD2 4.36Å; L616-L646 HydrophobicContact CD1-CD2 4.26Å; L616-L646 HydrophobicContact CD1-CG 4.34Å |
| 617 | L | 57 | Low | 62.3 | Low | 33 Ų | 33 | 37.7 Ų | 37.7 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -3.6 | -177 | -64.8 | 175.1 | 0 | 0 | 0 | 114.4 | S605 E608 M641 L642 | S605-L617 WeakPolarHBondContact OG-CD1 3.18Å; E608-L617 HydrophobicContact CB-CB 4.43Å; E608-L617 HydrophobicContact CB-CD1 4.05Å; E608-L617 HydrophobicContact CG-CD1 4.26Å; E608-L617 HydrophobicContact CG-CG 4.48Å; E608-L617 PolarHBondContact OE2-N 3.35Å; E608-L617 VanDerWaalsContact OE2-N 3.14Å; L617-M641 HydrophobicContact CD2-CE 3.64Å; L617-L642 HydrophobicContact CD1-CD2 4.44Å; L617-L642 HydrophobicContact CG-CD2 4.26Å |
| 618 | G | 53.3 | Low | 61.3 | Low | 37 Ų | 37 | 38.4 Ų | 38.4 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | trans | 67.9 | -167.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V620 | G618-V620 PolarHBondContact O-N 3.45Å; G618-V620 VanDerWaalsContact O-N 3.09Å | ||
| 619 | N | 54 | Low | 60.3 | Low | 125 Ų | 125 | 45.8 Ų | 45.8 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | trans | -83.9 | 80.8 | -176.9 | -76.2 | -28.5 | 0 | 0 | 0 | 112.1 | G613 | G613-N619 VanDerWaalsContact CA-OD1 3.25Å; G613-N619 WeakPolarHBondContact CA-OD1 3.28Å; G613-N619 PolarHBondContact N-OD1 2.89Å; G613-N619 VanDerWaalsContact N-OD1 3.13Å | ||
| 620 | V | 57.6 | Low | 59.9 | Low | 69 Ų | 69 | 47.8 Ų | 47.8 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | trans | -80.1 | 115.6 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | G618 A622 T625 | G618-V620 PolarHBondContact O-N 3.45Å; G618-V620 VanDerWaalsContact O-N 3.09Å; V620-A622 PolarHBondContact O-N 3.15Å; V620-A622 VanDerWaalsContact O-N 3.08Å; V620-T625 HydrophobicContact CG1-CG2 4.08Å | ||
| 621 | N | 58.3 | Low | 59.5 | Low | 56 Ų | 56 | 48.6 Ų | 48.6 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | trans | -67.7 | 105.3 | 174.6 | -82.4 | -5.4 | 0 | 0 | 0 | 110.9 | T499 L623 L624 | T499-N621 WeakPolarHBondContact CG2-ND2 3.44Å; T499-N621 PolarHBondContact OG1-ND2 2.81Å; N621-L623 PolarHBondContact O-N 3.24Å; N621-L624 HydrophobicContact CB-CB 4.32Å; N621-L624 HydrophobicContact CB-CD1 4.09Å; N621-L624 HydrophobicContact CB-CG 4.04Å; N621-L624 PolarHBondContact O-N 3.17Å | ||
| 622 | A | 59.7 | Low | 59.6 | Low | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -53.3 | -30.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | I327 L496 V620 T625 | I327-A622 HydrophobicContact CD1-CB 4.32Å; I327-A622 HydrophobicContact CG1-CB 4.28Å; L496-A622 HydrophobicContact CD2-CB 4.49Å; V620-A622 PolarHBondContact O-N 3.15Å; V620-A622 VanDerWaalsContact O-N 3.08Å; A622-T625 PolarHBondContact O-OG1 2.83Å |
| 623 | L | 56.8 | Low | 60.1 | Low | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67 | -37 | 175.1 | -72.6 | 178.2 | 0 | 0 | 0 | 113.2 | M324 I327 T363 L496 L497 N621 T625 | M324-L623 HydrophobicContact CE-CD2 3.64Å; M324-L623 HydrophobicContact CG-CD2 4.36Å; M324-L623 HydrophobicContact SD-CD2 3.83Å; I327-L623 HydrophobicContact CD1-CD2 4.1Å; T363-L623 HydrophobicContact CG2-CD1 4.27Å; L496-L623 HydrophobicContact CB-CD1 4.08Å; L496-L623 HydrophobicContact CB-CD2 4.06Å; L496-L623 HydrophobicContact CB-CG 4.05Å; L496-L623 HydrophobicContact CD1-CD2 4.36Å; L496-L623 HydrophobicContact CD2-CD2 3.91Å; L496-L623 HydrophobicContact CD2-CG 4.15Å; L496-L623 HydrophobicContact CG-CD2 4.33Å; L497-L623 WeakPolarHBondContact O-CD1 3.15Å; N621-L623 PolarHBondContact O-N 3.24Å; L623-T625 PolarHBondContact O-N 3.13Å |
| 624 | L | 57.8 | Low | 61.2 | Low | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -86.1 | 24.5 | -176 | -52.9 | -176.7 | 0 | 0 | 0 | 112.5 | W504 N621 T626 | W504-L624 HydrophobicContact CB-CD2 4.37Å; W504-L624 HydrophobicContact CD2-CD2 3.88Å; W504-L624 HydrophobicContact CG-CD2 3.79Å; W504-L624 VanDerWaalsContact CZ2-C 3.42Å; W504-L624 HydrophobicContact CZ2-CB 4.14Å; W504-L624 WeakPolarHBondContact CZ2-O 3.19Å; N621-L624 HydrophobicContact CB-CB 4.32Å; N621-L624 HydrophobicContact CB-CD1 4.09Å; N621-L624 HydrophobicContact CB-CG 4.04Å; N621-L624 PolarHBondContact O-N 3.17Å; L624-T626 PolarHBondContact O-N 3.1Å |
| 625 | T | 66 | Low | 62.4 | Low | 15 Ų | 15 | 53.5 Ų | 53.5 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | trans | -92.4 | 100.9 | -179.5 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | G323 M324 Y325 V326 V620 A622 L623 | G323-T625 CarbonylContact C-O 3.45Å; M324-T625 PolarHBondContact N-O 3.1Å; M324-T625 VanDerWaalsContact N-O 3.09Å; Y325-T625 PolarHBondContact N-O 2.84Å; Y325-T625 PolarHBondContact N-OG1 3.4Å; Y325-T625 VanDerWaalsContact N-OG1 3.08Å; V326-T625 HydrophobicContact CB-CG2 4.37Å; V326-T625 HydrophobicContact CG2-CG2 3.8Å; V326-T625 PolarHBondContact N-OG1 2.95Å; V620-T625 HydrophobicContact CG1-CG2 4.08Å; A622-T625 PolarHBondContact O-OG1 2.83Å; L623-T625 PolarHBondContact O-N 3.13Å | ||
| 626 | T | 59.8 | Low | 63.8 | Low | 88 Ų | 88 | 54.4 Ų | 54.4 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 162.2 | 166.4 | 36.6 | 0 | 0 | 0 | 0 | 111.2 | Y325 W504 L624 | Y325-T626 WeakPolarHBondContact CB-O 3.24Å; W504-T626 HydrophobicContact CH2-CG2 3.65Å; W504-T626 HydrophobicContact CZ2-CG2 3.73Å; L624-T626 PolarHBondContact O-N 3.1Å |
| 627 | F | 64.3 | Low | 64.9 | Low | 48 Ų | 48 | 55.9 Ų | 55.9 | 21% | 0.211 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 138.8 | 161.1 | -74.2 | -105.6 | 0 | 0 | 0 | 108.9 | L314 L315 Y325 K328 | L314-F627 HydrophobicContact CB-CE1 3.93Å; L314-F627 HydrophobicContact CB-CZ 4.39Å; L315-F627 HydrophobicContact CB-CE1 4.47Å; L315-F627 HydrophobicContact CD2-CD1 3.76Å; L315-F627 HydrophobicContact CD2-CD2 4.07Å; L315-F627 HydrophobicContact CD2-CE1 3.59Å; L315-F627 HydrophobicContact CD2-CE2 3.92Å; L315-F627 HydrophobicContact CD2-CG 4Å; L315-F627 HydrophobicContact CD2-CZ 3.68Å; L315-F627 HydrophobicContact CG-CD1 3.91Å; L315-F627 HydrophobicContact CG-CE1 3.59Å; L315-F627 HydrophobicContact CG-CZ 4.06Å; Y325-F627 AromaticContact CD2-CD1 3.53Å; Y325-F627 HydrophobicContact CD2-CD1 3.53Å; Y325-F627 HydrophobicContact CD2-CD2 4.37Å; Y325-F627 AromaticContact CD2-CE1 3.65Å; Y325-F627 HydrophobicContact CD2-CE1 3.65Å; Y325-F627 HydrophobicContact CD2-CE2 4.46Å; Y325-F627 AromaticContact CD2-CG 3.92Å; Y325-F627 HydrophobicContact CD2-CG 3.92Å; Y325-F627 HydrophobicContact CD2-CZ 4.13Å; Y325-F627 AromaticContact CE2-CD1 3.87Å; Y325-F627 HydrophobicContact CE2-CD1 3.87Å; Y325-F627 HydrophobicContact CE2-CE1 4.03Å; K328-F627 HydrophobicContact CD-CE2 4.28Å; K328-F627 HydrophobicContact CD-CZ 3.91Å |
| 628 | P | 64.7 | Low | 65.9 | Low | 31 Ų | 31 | 55.9 Ų | 55.9 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 142.6 | 179.8 | 31 | -37.5 | 0 | 0 | 0 | 111.9 | P631 Q634 | P628-P631 HydrophobicContact CG-CB 4.36Å; P628-P631 HydrophobicContact CG-CG 4.3Å; P628-Q634 HydrophobicContact CB-CB 4.35Å; P628-Q634 VanDerWaalsContact CB-OE1 3.23Å |
| 629 | T | 61.1 | Low | 67.1 | Low | 156 Ų | 156 | 54.3 Ų | 54.3 | 96% | 0.957 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -71.6 | -33.1 | 174.3 | -20.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 630 | D | 69.1 | Low | 68.4 | Low | 63 Ų | 63 | 52.1 Ų | 52.1 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | trans | -126.4 | 110.4 | 163.9 | 178.3 | 11.1 | 0 | 0 | 0 | 110 | L632 Q633 Q634 | D630-L632 VanDerWaalsContact C-N 3.29Å; D630-L632 PolarHBondContact O-N 3.18Å; D630-L632 WeakPolarHBondContact OD1-CB 3.4Å; D630-L632 PolarHBondContact OD1-N 2.83Å; D630-Q633 HydrophobicContact CB-CB 4.18Å; D630-Q633 WeakPolarHBondContact OD2-CB 3.26Å; D630-Q633 PolarHBondContact OD2-N 2.84Å; D630-Q633 VanDerWaalsContact OD2-N 3.08Å; D630-Q634 PolarHBondContact O-N 3.29Å | ||
| 631 | P | 71.8 | Confident | 69.4 | Low | 24 Ų | 24 | 53 Ų | 53 | 16% | 0.156 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -29.1 | 175.3 | -19.9 | 32.5 | 0 | 0 | 0 | 114.1 | L307 N311 P628 Y635 | L307-P631 HydrophobicContact CB-CB 3.82Å; N311-P631 WeakPolarHBondContact ND2-CG 3.37Å; P628-P631 HydrophobicContact CG-CB 4.36Å; P628-P631 HydrophobicContact CG-CG 4.3Å; P631-Y635 WeakPolarHBondContact O-CB 3.17Å; P631-Y635 PolarHBondContact O-N 3.48Å |
| 632 | L | 72.3 | Confident | 70.4 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.2 | -43.3 | -174.7 | -70.5 | 153.9 | 0 | 0 | 0 | 111.4 | N305 L307 D630 Q634 Y635 Q636 | N305-L632 HydrophobicContact CB-CD1 4.33Å; N305-L632 WeakPolarHBondContact OD1-CD1 3.42Å; L307-L632 HydrophobicContact CD1-CD2 4.35Å; D630-L632 VanDerWaalsContact C-N 3.29Å; D630-L632 PolarHBondContact O-N 3.18Å; D630-L632 WeakPolarHBondContact OD1-CB 3.4Å; D630-L632 PolarHBondContact OD1-N 2.83Å; L632-Q634 VanDerWaalsContact C-N 3.34Å; L632-Y635 PolarHBondContact O-N 2.92Å; L632-Q636 WeakPolarHBondContact O-CB 3.34Å; L632-Q636 PolarHBondContact O-N 3.26Å |
| 633 | Q | 71.4 | Confident | 71.4 | Confident | 122 Ų | 122 | 50.2 Ų | 50.2 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.4 | -35.3 | 172.1 | -174.5 | 177 | 46.5 | 0 | 0 | 112.4 | D630 T637 | D630-Q633 HydrophobicContact CB-CB 4.18Å; D630-Q633 WeakPolarHBondContact OD2-CB 3.26Å; D630-Q633 PolarHBondContact OD2-N 2.84Å; D630-Q633 VanDerWaalsContact OD2-N 3.08Å; Q633-T637 PolarHBondContact O-N 2.95Å; Q633-T637 VanDerWaalsContact O-N 3.1Å; Q633-T637 PolarHBondContact O-OG1 2.85Å |
| 634 | Q | 74.8 | Confident | 72.5 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 170.8 | -174.5 | -174 | 4.4 | 0 | 0 | 110.5 | P628 D630 L632 Q636 T637 Q638 | P628-Q634 HydrophobicContact CB-CB 4.35Å; P628-Q634 VanDerWaalsContact CB-OE1 3.23Å; D630-Q634 PolarHBondContact O-N 3.29Å; L632-Q634 VanDerWaalsContact C-N 3.34Å; Q634-Q636 VanDerWaalsContact C-N 3.35Å; Q634-Q636 PolarHBondContact O-N 2.93Å; Q634-T637 PolarHBondContact O-N 3.39Å; Q634-Q638 HydrophobicContact CG-CG 4.36Å; Q634-Q638 WeakPolarHBondContact O-CB 3.4Å; Q634-Q638 WeakPolarHBondContact O-CG 3.39Å; Q634-Q638 PolarHBondContact O-N 2.92Å |
| 635 | Y | 77.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 179.6 | 174.8 | -106 | 0 | 0 | 0 | 112.5 | L307 E598 V601 P631 L632 T637 Q638 C639 E655 L659 | L307-Y635 VanDerWaalsContact CD1-CB 3.48Å; L307-Y635 HydrophobicContact CD1-CD1 4.14Å; L307-Y635 HydrophobicContact CD1-CD2 4.25Å; L307-Y635 HydrophobicContact CD1-CG 3.69Å; E598-Y635 WeakPolarHBondContact CA-OH 3.29Å; E598-Y635 HydrophobicContact CB-CE2 4.09Å; E598-Y635 HydrophobicContact CG-CE1 4.12Å; E598-Y635 HydrophobicContact CG-CE2 4.32Å; E598-Y635 WeakPolarHBondContact CG-OH 3.42Å; E598-Y635 PolarHBondContact N-OH 2.84Å; V601-Y635 HydrophobicContact CB-CE2 4.12Å; V601-Y635 HydrophobicContact CG1-CD2 4.49Å; V601-Y635 HydrophobicContact CG1-CE2 3.98Å; P631-Y635 WeakPolarHBondContact O-CB 3.17Å; P631-Y635 PolarHBondContact O-N 3.48Å; L632-Y635 PolarHBondContact O-N 2.92Å; Y635-T637 PolarHBondContact O-N 3.4Å; Y635-Q638 PolarHBondContact O-N 2.99Å; Y635-C639 WeakPolarHBondContact CE1-SG 3.45Å; Y635-C639 WeakPolarHBondContact CE2-SG 3.15Å; Y635-C639 WeakPolarHBondContact O-CB 3.18Å; Y635-C639 PolarHBondContact O-N 2.94Å; Y635-C639 PolarHBondContact O-SG 3.18Å; Y635-C639 PolarHBondContact OH-SG 3.26Å; Y635-C639 VanDerWaalsContact OH-SG 3.34Å; Y635-E655 VanDerWaalsContact CE1-OE1 3.26Å; Y635-E655 WeakPolarHBondContact CE1-OE1 3.48Å; Y635-E655 PolarHBondContact OH-OE1 2.95Å; Y635-L659 HydrophobicContact CD1-CD1 4.36Å; Y635-L659 HydrophobicContact CD1-CD2 4.36Å; Y635-L659 HydrophobicContact CE1-CD1 4.21Å; Y635-L659 HydrophobicContact CE1-CD2 4.28Å |
| 636 | Q | 78.6 | Confident | 73.8 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 176.3 | -173.2 | -179.2 | -6.6 | 0 | 0 | 111.4 | L632 Q634 C639 Q640 M656 L659 | L632-Q636 WeakPolarHBondContact O-CB 3.34Å; L632-Q636 PolarHBondContact O-N 3.26Å; Q634-Q636 VanDerWaalsContact C-N 3.35Å; Q634-Q636 PolarHBondContact O-N 2.93Å; Q636-C639 PolarHBondContact O-N 2.91Å; Q636-Q640 PolarHBondContact O-N 2.9Å; Q636-M656 HydrophobicContact CG-CE 3.86Å; Q636-L659 HydrophobicContact CB-CD1 4.49Å; Q636-L659 HydrophobicContact CG-CD1 4.44Å |
| 637 | T | 77.8 | Confident | 74.6 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 178.2 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | Q633 Q634 Y635 Q640 M641 | Q633-T637 PolarHBondContact O-N 2.95Å; Q633-T637 VanDerWaalsContact O-N 3.1Å; Q633-T637 PolarHBondContact O-OG1 2.85Å; Q634-T637 PolarHBondContact O-N 3.39Å; Y635-T637 PolarHBondContact O-N 3.4Å; T637-Q640 PolarHBondContact O-N 2.87Å; T637-M641 HydrophobicContact CG2-CE 4.18Å; T637-M641 WeakPolarHBondContact O-CG 3.4Å; T637-M641 PolarHBondContact O-N 2.64Å; T637-M641 VanDerWaalsContact O-N 3.13Å |
| 638 | Q | 76.3 | Confident | 75.3 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.6 | -74.7 | -179.2 | -41.7 | 0 | 0 | 112.3 | S605 Q634 Y635 Q640 L642 | S605-Q638 PolarHBondContact OG-NE2 3.38Å; Q634-Q638 HydrophobicContact CG-CG 4.36Å; Q634-Q638 WeakPolarHBondContact O-CB 3.4Å; Q634-Q638 WeakPolarHBondContact O-CG 3.39Å; Q634-Q638 PolarHBondContact O-N 2.92Å; Y635-Q638 PolarHBondContact O-N 2.99Å; Q638-Q640 VanDerWaalsContact C-N 3.35Å; Q638-Q640 PolarHBondContact O-N 3.03Å; Q638-L642 VanDerWaalsContact O-CB 3.27Å; Q638-L642 WeakPolarHBondContact O-CB 3.46Å; Q638-L642 VanDerWaalsContact O-CG 3.27Å; Q638-L642 WeakPolarHBondContact O-CG 3.31Å; Q638-L642 PolarHBondContact O-N 3.29Å |
| 639 | C | 78.9 | Confident | 75.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 174 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | Y635 Q636 L642 L643 | Y635-C639 WeakPolarHBondContact CE1-SG 3.45Å; Y635-C639 WeakPolarHBondContact CE2-SG 3.15Å; Y635-C639 WeakPolarHBondContact O-CB 3.18Å; Y635-C639 PolarHBondContact O-N 2.94Å; Y635-C639 PolarHBondContact O-SG 3.18Å; Y635-C639 PolarHBondContact OH-SG 3.26Å; Y635-C639 VanDerWaalsContact OH-SG 3.34Å; Q636-C639 PolarHBondContact O-N 2.91Å; C639-L642 PolarHBondContact O-N 3.25Å; C639-L643 HydrophobicContact CB-CD1 4.46Å; C639-L643 VanDerWaalsContact O-CB 3.27Å; C639-L643 WeakPolarHBondContact O-CB 3.44Å; C639-L643 VanDerWaalsContact O-CG 3.32Å; C639-L643 WeakPolarHBondContact O-CG 3.48Å; C639-L643 PolarHBondContact O-N 3.29Å |
| 640 | Q | 82 | Confident | 76.3 | Confident | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -54.8 | -178 | -171.8 | 168 | 0.9 | 0 | 0 | 110.8 | Q636 T637 Q638 L642 L643 E644 | Q636-Q640 PolarHBondContact O-N 2.9Å; T637-Q640 PolarHBondContact O-N 2.87Å; Q638-Q640 VanDerWaalsContact C-N 3.35Å; Q638-Q640 PolarHBondContact O-N 3.03Å; Q640-L642 VanDerWaalsContact C-N 3.32Å; Q640-L642 PolarHBondContact O-N 3.38Å; Q640-L643 PolarHBondContact O-N 2.78Å; Q640-E644 VanDerWaalsContact CG-CD 3.48Å; Q640-E644 HydrophobicContact CG-CG 4.21Å; Q640-E644 WeakPolarHBondContact CG-OE1 3.44Å; Q640-E644 PolarHBondContact NE2-OE1 2.61Å; Q640-E644 VanDerWaalsContact O-CB 3.22Å; Q640-E644 WeakPolarHBondContact O-CB 3.24Å; Q640-E644 VanDerWaalsContact O-CG 3.24Å; Q640-E644 WeakPolarHBondContact O-CG 3.45Å; Q640-E644 PolarHBondContact O-N 2.8Å |
| 641 | M | 77.7 | Confident | 76.7 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 178.9 | -66.4 | -173.4 | -60.1 | 0 | 0 | 113 | L617 T637 G645 | L617-M641 HydrophobicContact CD2-CE 3.64Å; T637-M641 HydrophobicContact CG2-CE 4.18Å; T637-M641 WeakPolarHBondContact O-CG 3.4Å; T637-M641 PolarHBondContact O-N 2.64Å; T637-M641 VanDerWaalsContact O-N 3.13Å; M641-G645 PolarHBondContact O-N 2.86Å; M641-G645 VanDerWaalsContact O-N 3.09Å |
| 642 | L | 80.1 | Confident | 77 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.2 | -45.4 | -178.8 | -70.6 | 170.3 | 0 | 0 | 0 | 112.3 | V601 V604 L616 L617 Q638 C639 Q640 G645 L646 | V601-L642 HydrophobicContact CG1-CD1 3.87Å; V604-L642 HydrophobicContact CG1-CD1 4.32Å; V604-L642 HydrophobicContact CG1-CD2 3.96Å; L616-L642 HydrophobicContact CB-CD2 3.83Å; L616-L642 HydrophobicContact CD1-CD2 3.59Å; L616-L642 HydrophobicContact CG-CD2 4.36Å; L617-L642 HydrophobicContact CD1-CD2 4.44Å; L617-L642 HydrophobicContact CG-CD2 4.26Å; Q638-L642 VanDerWaalsContact O-CB 3.27Å; Q638-L642 WeakPolarHBondContact O-CB 3.46Å; Q638-L642 VanDerWaalsContact O-CG 3.27Å; Q638-L642 WeakPolarHBondContact O-CG 3.31Å; Q638-L642 PolarHBondContact O-N 3.29Å; C639-L642 PolarHBondContact O-N 3.25Å; Q640-L642 VanDerWaalsContact C-N 3.32Å; Q640-L642 PolarHBondContact O-N 3.38Å; L642-G645 PolarHBondContact O-N 3.03Å; L642-L646 VanDerWaalsContact O-CB 3.32Å; L642-L646 WeakPolarHBondContact O-CB 3.21Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 3.4Å |
| 643 | L | 80.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.5 | -31.8 | -177 | -63.4 | 173.1 | 0 | 0 | 0 | 112.7 | I552 C639 Q640 N647 L648 L652 | I552-L643 HydrophobicContact CD1-CD2 4.06Å; I552-L643 HydrophobicContact CG1-CD2 3.99Å; C639-L643 HydrophobicContact CB-CD1 4.46Å; C639-L643 VanDerWaalsContact O-CB 3.27Å; C639-L643 WeakPolarHBondContact O-CB 3.44Å; C639-L643 VanDerWaalsContact O-CG 3.32Å; C639-L643 WeakPolarHBondContact O-CG 3.48Å; C639-L643 PolarHBondContact O-N 3.29Å; Q640-L643 PolarHBondContact O-N 2.78Å; L643-N647 PolarHBondContact O-N 3.32Å; L643-N647 VanDerWaalsContact O-N 3.13Å; L643-L648 HydrophobicContact CD2-CB 4.35Å; L643-L648 HydrophobicContact CD2-CD1 4.42Å; L643-L648 PolarHBondContact O-N 3.31Å; L643-L652 HydrophobicContact CB-CB 3.95Å; L643-L652 HydrophobicContact CB-CD1 4.25Å; L643-L652 HydrophobicContact CB-CD2 4.48Å; L643-L652 HydrophobicContact CB-CG 4.45Å; L643-L652 HydrophobicContact CD1-CB 3.99Å; L643-L652 HydrophobicContact CD1-CD1 3.99Å |
| 644 | E | 80.6 | Confident | 77.4 | Confident | 106 Ų | 106 | 54 Ų | 54 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 167 | -70 | 176.5 | 177.7 | 0 | 0 | 110.2 | Q640 L646 N647 L652 | Q640-E644 VanDerWaalsContact CG-CD 3.48Å; Q640-E644 HydrophobicContact CG-CG 4.21Å; Q640-E644 WeakPolarHBondContact CG-OE1 3.44Å; Q640-E644 PolarHBondContact NE2-OE1 2.61Å; Q640-E644 VanDerWaalsContact O-CB 3.22Å; Q640-E644 WeakPolarHBondContact O-CB 3.24Å; Q640-E644 VanDerWaalsContact O-CG 3.24Å; Q640-E644 WeakPolarHBondContact O-CG 3.45Å; Q640-E644 PolarHBondContact O-N 2.8Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.07Å; E644-N647 WeakPolarHBondContact O-CA 3.24Å; E644-N647 PolarHBondContact O-N 2.87Å; E644-N647 PolarHBondContact O-ND2 3.11Å; E644-L652 HydrophobicContact CG-CD2 3.85Å |
| 645 | G | 72.6 | Confident | 77.6 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M641 L642 N647 | M641-G645 PolarHBondContact O-N 2.86Å; M641-G645 VanDerWaalsContact O-N 3.09Å; L642-G645 PolarHBondContact O-N 3.03Å; G645-N647 VanDerWaalsContact C-N 3.27Å; G645-N647 PolarHBondContact O-N 3.46Å; G645-N647 PolarHBondContact O-ND2 2.95Å; G645-N647 VanDerWaalsContact O-ND2 3.1Å |
| 646 | L | 78.7 | Confident | 77.5 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.8 | -11.3 | 175 | -67.5 | 175.3 | 0 | 0 | 0 | 113.8 | I552 R555 Y556 L559 L616 L642 E644 L648 | I552-L646 HydrophobicContact CG2-CD1 3.94Å; R555-L646 HydrophobicContact CB-CD2 4.5Å; R555-L646 HydrophobicContact CG-CB 3.96Å; R555-L646 HydrophobicContact CG-CD2 4.16Å; R555-L646 VanDerWaalsContact CG-O 3.31Å; R555-L646 WeakPolarHBondContact CG-O 3.14Å; R555-L646 PolarHBondContact NE-O 2.99Å; Y556-L646 VanDerWaalsContact CA-CD2 3.43Å; Y556-L646 HydrophobicContact CD2-CD2 4.25Å; L559-L646 HydrophobicContact CB-CD2 4.4Å; L559-L646 HydrophobicContact CD1-CD2 4.39Å; L616-L646 HydrophobicContact CD1-CD2 4.26Å; L616-L646 HydrophobicContact CD1-CG 4.34Å; L642-L646 VanDerWaalsContact O-CB 3.32Å; L642-L646 WeakPolarHBondContact O-CB 3.21Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 3.4Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.07Å; L646-L648 HydrophobicContact CB-CD1 4.07Å; L646-L648 HydrophobicContact CB-CG 4.23Å; L646-L648 HydrophobicContact CD1-CD1 4.47Å |
| 647 | N | 75.9 | Confident | 77.5 | Confident | 115 Ų | 115 | 57 Ų | 57 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 53.8 | -174.2 | -64.8 | -116.2 | 0 | 0 | 0 | 112.1 | L643 E644 G645 P649 | L643-N647 PolarHBondContact O-N 3.32Å; L643-N647 VanDerWaalsContact O-N 3.13Å; E644-N647 WeakPolarHBondContact O-CA 3.24Å; E644-N647 PolarHBondContact O-N 2.87Å; E644-N647 PolarHBondContact O-ND2 3.11Å; G645-N647 VanDerWaalsContact C-N 3.27Å; G645-N647 PolarHBondContact O-N 3.46Å; G645-N647 PolarHBondContact O-ND2 2.95Å; G645-N647 VanDerWaalsContact O-ND2 3.1Å; N647-P649 VanDerWaalsContact C-CD 3.43Å; N647-P649 WeakPolarHBondContact O-CD 3.39Å |
| 648 | L | 79.2 | Confident | 77.6 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | trans | -120.7 | 65.8 | 178.5 | -66.9 | 173.3 | 0 | 0 | 0 | 111.8 | I552 R555 L643 L646 E650 I651 L652 | I552-L648 HydrophobicContact CG1-CD1 4.06Å; R555-L648 HydrophobicContact CB-CD1 4.04Å; R555-L648 HydrophobicContact CG-CD1 4.09Å; R555-L648 HydrophobicContact CG-CD2 4.46Å; R555-L648 HydrophobicContact CG-CG 4.24Å; L643-L648 HydrophobicContact CD2-CB 4.35Å; L643-L648 HydrophobicContact CD2-CD1 4.42Å; L643-L648 PolarHBondContact O-N 3.31Å; L646-L648 HydrophobicContact CB-CD1 4.07Å; L646-L648 HydrophobicContact CB-CG 4.23Å; L646-L648 HydrophobicContact CD1-CD1 4.47Å; L648-E650 PolarHBondContact O-N 3.2Å; L648-I651 HydrophobicContact CD1-CD1 4.39Å; L648-L652 PolarHBondContact O-N 2.85Å; L648-L652 VanDerWaalsContact O-N 3.16Å | ||
| 649 | P | 71.9 | Confident | 77.6 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.4 | -31.9 | -170.7 | 28 | -35.9 | 0 | 0 | 0 | 114.2 | N647 L652 Q653 | N647-P649 VanDerWaalsContact C-CD 3.43Å; N647-P649 WeakPolarHBondContact O-CD 3.39Å; P649-L652 PolarHBondContact O-N 2.79Å; P649-Q653 WeakPolarHBondContact O-CG 3.23Å; P649-Q653 PolarHBondContact O-N 2.92Å |
| 650 | E | 75.3 | Confident | 77.4 | Confident | 164 Ų | 164 | 59.3 Ų | 59.3 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | -179.5 | -62.8 | 175.6 | 171 | 0 | 0 | 111.4 | L648 Q653 S654 | L648-E650 PolarHBondContact O-N 3.2Å; E650-Q653 PolarHBondContact O-N 3.12Å; E650-S654 PolarHBondContact O-N 2.78Å |
| 651 | I | 77.8 | Confident | 77.1 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 175.8 | -58.3 | 178.8 | 0 | 0 | 0 | 110.2 | C551 I552 I597 L648 S654 E655 | C551-I651 HydrophobicContact CB-CD1 4.2Å; I552-I651 HydrophobicContact CD1-CG2 4.22Å; I552-I651 HydrophobicContact CG1-CD1 4.41Å; I597-I651 HydrophobicContact CD1-CG2 3.73Å; I597-I651 HydrophobicContact CG1-CG2 4.27Å; L648-I651 HydrophobicContact CD1-CD1 4.39Å; I651-S654 PolarHBondContact O-N 2.83Å; I651-E655 WeakPolarHBondContact O-CB 3.39Å; I651-E655 PolarHBondContact O-N 2.79Å |
| 652 | L | 76.7 | Confident | 76.7 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 174.4 | 177.5 | 59.8 | 0 | 0 | 0 | 111.5 | L643 E644 L648 P649 E655 M656 | L643-L652 HydrophobicContact CB-CB 3.95Å; L643-L652 HydrophobicContact CB-CD1 4.25Å; L643-L652 HydrophobicContact CB-CD2 4.48Å; L643-L652 HydrophobicContact CB-CG 4.45Å; L643-L652 HydrophobicContact CD1-CB 3.99Å; L643-L652 HydrophobicContact CD1-CD1 3.99Å; E644-L652 HydrophobicContact CG-CD2 3.85Å; L648-L652 PolarHBondContact O-N 2.85Å; L648-L652 VanDerWaalsContact O-N 3.16Å; P649-L652 PolarHBondContact O-N 2.79Å; L652-E655 PolarHBondContact O-N 3.5Å; L652-M656 HydrophobicContact CD1-CG 3.81Å; L652-M656 HydrophobicContact CD1-SD 4.23Å; L652-M656 HydrophobicContact CG-CG 4.18Å; L652-M656 WeakPolarHBondContact O-CB 3.43Å; L652-M656 WeakPolarHBondContact O-CG 3.19Å; L652-M656 PolarHBondContact O-N 2.92Å |
| 653 | Q | 76.1 | Confident | 75.9 | Confident | 129 Ų | 129 | 66.9 Ų | 66.9 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 179 | -74.4 | 173 | 6.2 | 0 | 0 | 112 | P649 E650 E655 M656 E657 | P649-Q653 WeakPolarHBondContact O-CG 3.23Å; P649-Q653 PolarHBondContact O-N 2.92Å; E650-Q653 PolarHBondContact O-N 3.12Å; Q653-E655 VanDerWaalsContact C-N 3.32Å; Q653-E655 PolarHBondContact O-N 2.94Å; Q653-M656 PolarHBondContact O-N 3.28Å; Q653-E657 WeakPolarHBondContact O-CG 3.38Å; Q653-E657 PolarHBondContact O-N 3.14Å |
| 654 | S | 76.9 | Confident | 74.9 | Confident | 53 Ų | 53 | 71 Ų | 71 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.9 | -46.5 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 112 | E650 I651 E657 R658 | E650-S654 PolarHBondContact O-N 2.78Å; I651-S654 PolarHBondContact O-N 2.83Å; S654-E657 PolarHBondContact O-N 2.86Å; S654-R658 PolarHBondContact O-N 2.76Å |
| 655 | E | 78.3 | Confident | 73.6 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.023 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 179.9 | -178.8 | 66.2 | 167.6 | 0 | 0 | 112.7 | I597 Y635 I651 L652 Q653 E657 R658 L659 | I597-E655 HydrophobicContact CD1-CB 4.4Å; I597-E655 HydrophobicContact CG2-CG 4.25Å; Y635-E655 VanDerWaalsContact CE1-OE1 3.26Å; Y635-E655 WeakPolarHBondContact CE1-OE1 3.48Å; Y635-E655 PolarHBondContact OH-OE1 2.95Å; I651-E655 WeakPolarHBondContact O-CB 3.39Å; I651-E655 PolarHBondContact O-N 2.79Å; L652-E655 PolarHBondContact O-N 3.5Å; Q653-E655 VanDerWaalsContact C-N 3.32Å; Q653-E655 PolarHBondContact O-N 2.94Å; E655-E657 PolarHBondContact O-N 3.28Å; E655-R658 VanDerWaalsContact CD-NH2 3.28Å; E655-R658 WeakPolarHBondContact O-CB 3.49Å; E655-R658 PolarHBondContact O-N 3.19Å; E655-R658 IonicContact OE1-CZ 3.33Å; E655-R658 IonicContact OE1-NE 2.72Å; E655-R658 IonicContact OE1-NH2 3.12Å; E655-R658 PolarHBondContact OE1-NH2 3.01Å; E655-R658 IonicContact OE2-CZ 3.24Å; E655-R658 IonicContact OE2-NE 2.72Å; E655-R658 PolarHBondContact OE2-NE 3.26Å; E655-R658 IonicContact OE2-NH2 2.73Å; E655-R658 PolarHBondContact OE2-NH2 3.31Å; E655-R658 VanDerWaalsContact OE2-NH2 3.12Å; E655-L659 HydrophobicContact CG-CD1 4.4Å; E655-L659 WeakPolarHBondContact O-CG 3.34Å; E655-L659 PolarHBondContact O-N 2.84Å |
| 656 | M | 77.1 | Confident | 72.2 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 30% | 0.3 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.2 | -63.3 | -130.2 | 79.6 | 0 | 0 | 111.4 | Q636 L652 Q653 R658 L659 A660 | Q636-M656 HydrophobicContact CG-CE 3.86Å; L652-M656 HydrophobicContact CD1-CG 3.81Å; L652-M656 HydrophobicContact CD1-SD 4.23Å; L652-M656 HydrophobicContact CG-CG 4.18Å; L652-M656 WeakPolarHBondContact O-CB 3.43Å; L652-M656 WeakPolarHBondContact O-CG 3.19Å; L652-M656 PolarHBondContact O-N 2.92Å; Q653-M656 PolarHBondContact O-N 3.28Å; M656-R658 VanDerWaalsContact C-N 3.34Å; M656-L659 PolarHBondContact O-N 2.73Å; M656-A660 WeakPolarHBondContact O-CB 3.44Å; M656-A660 PolarHBondContact O-N 3.02Å |
| 657 | E | 77.4 | Confident | 70.3 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 52% | 0.523 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -32.5 | 173.9 | -70.6 | -173.8 | -177.6 | 0 | 0 | 112.9 | Q653 S654 E655 R661 | Q653-E657 WeakPolarHBondContact O-CG 3.38Å; Q653-E657 PolarHBondContact O-N 3.14Å; S654-E657 PolarHBondContact O-N 2.86Å; E655-E657 PolarHBondContact O-N 3.28Å; E657-R661 WeakPolarHBondContact O-CB 3.26Å; E657-R661 WeakPolarHBondContact O-CG 3.27Å; E657-R661 PolarHBondContact O-N 2.91Å; E657-R661 PolarHBondContact O-NE 3.19Å; E657-R661 IonicContact OE2-CZ 2.82Å; E657-R661 IonicContact OE2-NH2 3.4Å; E657-R661 PolarHBondContact OE2-NH2 2.99Å |
| 658 | R | 80.3 | Confident | 68.3 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 32% | 0.317 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 174.6 | -170.9 | -174.2 | 67.1 | 96.7 | 2.6 | 110.7 | E598 S654 E655 M656 A660 R661 L662 | E598-R658 IonicContact OE1-CZ 3.75Å; E598-R658 VanDerWaalsContact OE1-CZ 3.24Å; E598-R658 IonicContact OE1-NH1 3.85Å; E598-R658 PolarHBondContact OE1-NH1 3.34Å; E598-R658 IonicContact OE1-NH2 3.69Å; E598-R658 PolarHBondContact OE1-NH2 3.21Å; S654-R658 PolarHBondContact O-N 2.76Å; E655-R658 VanDerWaalsContact CD-NH2 3.28Å; E655-R658 WeakPolarHBondContact O-CB 3.49Å; E655-R658 PolarHBondContact O-N 3.19Å; E655-R658 IonicContact OE1-CZ 3.33Å; E655-R658 IonicContact OE1-NE 2.72Å; E655-R658 IonicContact OE1-NH2 3.12Å; E655-R658 PolarHBondContact OE1-NH2 3.01Å; E655-R658 IonicContact OE2-CZ 3.24Å; E655-R658 IonicContact OE2-NE 2.72Å; E655-R658 PolarHBondContact OE2-NE 3.26Å; E655-R658 IonicContact OE2-NH2 2.73Å; E655-R658 PolarHBondContact OE2-NH2 3.31Å; E655-R658 VanDerWaalsContact OE2-NH2 3.12Å; M656-R658 VanDerWaalsContact C-N 3.34Å; R658-A660 VanDerWaalsContact C-N 3.35Å; R658-A660 PolarHBondContact O-N 3.24Å; R658-R661 PolarHBondContact O-N 3.22Å; R658-L662 PolarHBondContact O-N 3.48Å |
| 659 | L | 76.5 | Confident | 66 | Low | 17 Ų | 17 | 85 Ų | 85 | 9% | 0.089 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176 | -68.1 | 172.2 | 0 | 0 | 0 | 112.1 | Y635 Q636 E655 M656 L662 R663 | Y635-L659 HydrophobicContact CD1-CD1 4.36Å; Y635-L659 HydrophobicContact CD1-CD2 4.36Å; Y635-L659 HydrophobicContact CE1-CD1 4.21Å; Y635-L659 HydrophobicContact CE1-CD2 4.28Å; Q636-L659 HydrophobicContact CB-CD1 4.49Å; Q636-L659 HydrophobicContact CG-CD1 4.44Å; E655-L659 HydrophobicContact CG-CD1 4.4Å; E655-L659 WeakPolarHBondContact O-CG 3.34Å; E655-L659 PolarHBondContact O-N 2.84Å; M656-L659 PolarHBondContact O-N 2.73Å; L659-L662 PolarHBondContact O-N 3.15Å; L659-R663 PolarHBondContact O-N 3.28Å; L659-R663 VanDerWaalsContact O-N 3.12Å |
| 660 | A | 73.4 | Confident | 63.9 | Low | 58 Ų | 58 | 86.3 Ų | 86.3 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M656 R658 L662 R663 S664 | M656-A660 WeakPolarHBondContact O-CB 3.44Å; M656-A660 PolarHBondContact O-N 3.02Å; R658-A660 VanDerWaalsContact C-N 3.35Å; R658-A660 PolarHBondContact O-N 3.24Å; A660-L662 VanDerWaalsContact C-N 3.27Å; A660-L662 PolarHBondContact O-N 2.87Å; A660-R663 PolarHBondContact O-N 3.41Å; A660-S664 PolarHBondContact O-N 3.16Å; A660-S664 PolarHBondContact O-OG 3.22Å |
| 661 | R | 75.7 | Confident | 61.7 | Low | 139 Ų | 139 | 83.7 Ų | 83.7 | 53% | 0.525 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -28 | 175.8 | -79.5 | 176.1 | -85.9 | -159.5 | -11.6 | 113.6 | E657 R658 S664 N665 | E657-R661 WeakPolarHBondContact O-CB 3.26Å; E657-R661 WeakPolarHBondContact O-CG 3.27Å; E657-R661 PolarHBondContact O-N 2.91Å; E657-R661 PolarHBondContact O-NE 3.19Å; E657-R661 IonicContact OE2-CZ 2.82Å; E657-R661 IonicContact OE2-NH2 3.4Å; E657-R661 PolarHBondContact OE2-NH2 2.99Å; R658-R661 PolarHBondContact O-N 3.22Å; R661-S664 WeakPolarHBondContact CA-OG 3.2Å; R661-S664 PolarHBondContact O-OG 2.95Å; R661-N665 PolarHBondContact O-ND2 2.78Å |
| 662 | L | 69.1 | Low | 59.1 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.3 | -47.2 | 171.6 | -75.2 | 163 | 0 | 0 | 0 | 111.2 | R658 L659 A660 S664 N665 | R658-L662 PolarHBondContact O-N 3.48Å; L659-L662 PolarHBondContact O-N 3.15Å; A660-L662 VanDerWaalsContact C-N 3.27Å; A660-L662 PolarHBondContact O-N 2.87Å; L662-S664 VanDerWaalsContact C-N 3.33Å; L662-S664 PolarHBondContact O-N 2.9Å; L662-N665 PolarHBondContact O-N 3.32Å; L662-N665 VanDerWaalsContact O-N 3.14Å |
| 663 | R | 65.1 | Low | 56.5 | Low | 128 Ų | 128 | 94.4 Ų | 94.4 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 176.8 | -75.3 | -171.6 | 177.3 | 140.3 | 7.3 | 113.6 | L659 A660 N665 T666 | L659-R663 PolarHBondContact O-N 3.28Å; L659-R663 VanDerWaalsContact O-N 3.12Å; A660-R663 PolarHBondContact O-N 3.41Å; R663-N665 PolarHBondContact O-N 2.93Å; R663-T666 PolarHBondContact O-N 2.7Å; R663-T666 PolarHBondContact O-OG1 2.67Å |
| 664 | S | 58.1 | Low | 54.1 | Low | 88 Ų | 88 | 96 Ų | 96 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.1 | 177.1 | 60 | 0 | 0 | 0 | 0 | 114.4 | A660 R661 L662 | A660-S664 PolarHBondContact O-N 3.16Å; A660-S664 PolarHBondContact O-OG 3.22Å; R661-S664 WeakPolarHBondContact CA-OG 3.2Å; R661-S664 PolarHBondContact O-OG 2.95Å; L662-S664 VanDerWaalsContact C-N 3.33Å; L662-S664 PolarHBondContact O-N 2.9Å |
| 665 | N | 54.5 | Low | 51.6 | Low | 115 Ų | 115 | 99 Ų | 99 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -10 | -179.7 | -68.2 | -15.2 | 0 | 0 | 0 | 113.4 | R661 L662 R663 | R661-N665 PolarHBondContact O-ND2 2.78Å; L662-N665 PolarHBondContact O-N 3.32Å; L662-N665 VanDerWaalsContact O-N 3.14Å; R663-N665 PolarHBondContact O-N 2.93Å |
| 666 | T | 42.8 | Very low | 49.1 | Very low | 62 Ų | 62 | 104.7 Ų | 104.7 | 38% | 0.38 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -86 | 117.6 | 168.6 | 37.8 | 0 | 0 | 0 | 0 | 110.3 | R663 E668 | R663-T666 PolarHBondContact O-N 2.7Å; R663-T666 PolarHBondContact O-OG1 2.67Å; T666-E668 PolarHBondContact O-N 3.08Å |
| 667 | P | 38.8 | Very low | 46.6 | Very low | 127 Ų | 127 | 107.3 Ų | 107.3 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129.3 | 175.4 | 27.9 | -33.4 | 0 | 0 | 0 | 110.5 | A669 | P667-A669 PolarHBondContact O-N 3.03Š|
| 668 | E | 34 | Very low | 43.9 | Very low | 163 Ų | 163 | 107.6 Ų | 107.6 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.9 | -171.9 | -63.8 | -174.6 | 148.3 | 0 | 0 | 113.2 | T666 S670 | T666-E668 PolarHBondContact O-N 3.08Å; E668-S670 VanDerWaalsContact C-N 3.27Å; E668-S670 PolarHBondContact O-N 3.23Å |
| 669 | A | 30.4 | Very low | 41.2 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | trans | -78.2 | 77.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | P667 | P667-A669 PolarHBondContact O-N 3.03Š| ||
| 670 | S | 26.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | 50 | 87.6 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 116.8 | E668 | E668-S670 VanDerWaalsContact C-N 3.27Å; E668-S670 PolarHBondContact O-N 3.23Å | ||
| 671 | V | 30.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | trans | -76.4 | 124.8 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 672 | C | 23 | Very low | 33.8 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -117.1 | 93.5 | 166.6 | -88.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 673 | D | 22.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | -141.7 | 124.2 | 160.3 | -114.9 | -35.3 | 0 | 0 | 0 | 110 | ||||
| 674 | L | 26 | Very low | 29.5 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -88.8 | 116.8 | 178.2 | -88.3 | 71.1 | 0 | 0 | 0 | 109.4 | ||||
| 675 | S | 24.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -109.6 | 115.7 | 156.3 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | S677 | S675-S677 PolarHBondContact O-N 3.33Š| ||
| 676 | V | 26 | Very low | 26.1 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 116.7 | -179.7 | 175.2 | 0 | 0 | 0 | 0 | 109 | ||
| 677 | S | 23.1 | Very low | 25 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 120.3 | 160.4 | 35.2 | 0 | 0 | 0 | 0 | 108.8 | S675 | S675-S677 PolarHBondContact O-N 3.33Š|
| 678 | T | 22.2 | Very low | 24.2 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 123 | 176.8 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 679 | D | 23 | Very low | 23.5 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -152.2 | 160.5 | 145.3 | -124.3 | -31.6 | 0 | 0 | 0 | 112.6 | ||||
| 680 | Q | 22.8 | Very low | 23.2 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -105.1 | 140 | -166.8 | -54.7 | 176.5 | 12.3 | 0 | 0 | 111.7 | ||||
| 681 | H | 23.8 | Very low | 22.9 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | -179.4 | 119.1 | 124.4 | -105.3 | -85.7 | 0 | 0 | 0 | 114.4 | |||||
| 682 | Q | 22.9 | Very low | 22.5 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 48.4 | 111.9 | 139 | -67.5 | 171.9 | -14 | 0 | 0 | 123 | ||||
| 683 | L | 21.3 | Very low | 22.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 46.2 | 116.9 | 118.5 | -58.8 | 166.7 | 0 | 0 | 0 | 120.2 | |||||
| 684 | H | 22.3 | Very low | 22.7 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | -164.1 | 178.7 | 88.3 | -132.1 | -94.2 | 0 | 0 | 0 | 113.1 | |||||
| 685 | V | 20.9 | Very low | 22.6 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -120.2 | 166.6 | -168.1 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 686 | S | 20.5 | Very low | 22.4 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 88.9 | 149.3 | 159.5 | 76.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 687 | D | 20 | Very low | 22.1 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | cis | -169.9 | 178.9 | -27 | -99 | -40.3 | 0 | 0 | 0 | 110.2 | ||||
| 688 | S | 21.2 | Very low | 22.1 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 71.5 | 124 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 689 | E | 21 | Very low | 22.1 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | 92 | 110.4 | 29.7 | -67.2 | -159.3 | 140.3 | 0 | 0 | 116.1 | ||||
| 690 | T | 22.3 | Very low | 22 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 166.4 | 115.6 | 137.7 | 29.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 691 | S | 20.8 | Very low | 21.8 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 64.1 | 132.6 | 57.6 | 83.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 692 | S | 22.5 | Very low | 21.6 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -145.3 | 174.1 | 0.9 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 693 | D | 23.7 | Very low | 21.6 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | -156.5 | 156.3 | 69.7 | -89.3 | -20.8 | 0 | 0 | 0 | 114.3 | |||||
| 694 | L | 25 | Very low | 21.7 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -128.9 | 147.6 | -179.3 | -76.1 | 82.6 | 0 | 0 | 0 | 112.5 | ||||
| 695 | K | 24.4 | Very low | 21.8 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | 169.4 | 150 | 122.9 | -87.3 | 147.5 | -165 | 166.9 | 0 | 108.9 | |||||
| 696 | S | 21.1 | Very low | 21.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | cis | -103.4 | 175.5 | 18.6 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 697 | C | 20.3 | Very low | 22.1 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -152.9 | -169.9 | -175.1 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 698 | V | 23 | Very low | 22.3 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | trans | 90.8 | 132.1 | 165.1 | 179.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 699 | T | 20.5 | Very low | 22.3 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | -175.5 | 176.3 | -20.1 | 76 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 700 | V | 20.8 | Very low | 22.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 65% | 0.648 | 75% | 0.752 | S | S | * | * | trans | 88.3 | 113.2 | 151.2 | 163.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 701 | K | 19.8 | Very low | 22.3 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 42.8 | 165.7 | 130.4 | -60.6 | -177.9 | -178.5 | 179.4 | 0 | 121.8 | ||||
| 702 | S | 20.3 | Very low | 22.5 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | cis | 164.5 | 175.8 | -30 | 70.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 703 | C | 21.6 | Very low | 22.4 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 73.1 | 119.7 | -178.8 | -49.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 704 | L | 24.2 | Very low | 22.4 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | cis | 70.9 | 132.1 | 30.1 | -153.4 | 76.3 | 0 | 0 | 0 | 113.8 | ||||
| 705 | D | 23.6 | Very low | 22.2 | Very low | 114 Ų | 114 | 128 Ų | 128 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | 158.1 | 149.1 | 131.1 | -84 | -1.6 | 0 | 0 | 0 | 110.4 | ||||
| 706 | Q | 24.3 | Very low | 22.5 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | cis | -163.8 | 166.4 | -8 | -95.9 | 171.3 | 50 | 0 | 0 | 104.6 | ||||
| 707 | L | 23.1 | Very low | 22.6 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -176.3 | 176.1 | -14.4 | -100.3 | 171.5 | 0 | 0 | 0 | 105.4 | ||||
| 708 | P | 25.6 | Very low | 22.7 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -131.1 | -173.6 | -25.7 | 39.9 | -23.7 | 0 | 0 | 0 | 113 | ||||
| 709 | A | 20.4 | Very low | 22.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -125.2 | 147.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 710 | T | 19.5 | Very low | 22.8 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -145.7 | 117.3 | 172.8 | 45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 711 | S | 24.7 | Very low | 22.9 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -95.1 | 149.3 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 712 | P | 24.9 | Very low | 24 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -148.8 | 170 | 104.7 | 37.6 | -21.7 | 0 | 0 | 0 | 114.4 | |||||
| 713 | S | 20.2 | Very low | 24.1 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | cis | -176.5 | 152.6 | -26.2 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 714 | L | 22.4 | Very low | 24.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | 72.7 | 151.9 | 161.5 | -73.1 | 158.3 | 0 | 0 | 0 | 119.6 | ||||
| 715 | S | 20.7 | Very low | 24.2 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -95.9 | -176.3 | -169.9 | 58 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 716 | P | 32.2 | Very low | 24.1 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | cis | -131.7 | -156.8 | -3.3 | 33.1 | -9.4 | 0 | 0 | 0 | 113.8 | ||||
| 717 | D | 21.5 | Very low | 24.1 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 96.1 | 157 | 157.3 | -56.9 | -23.1 | 0 | 0 | 0 | 120.2 | ||||
| 718 | D | 22.6 | Very low | 24.2 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 60.7 | 74.8 | 178.3 | -66.5 | -14.6 | 0 | 0 | 0 | 119.6 | ||||
| 719 | V | 24.2 | Very low | 24 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 111.4 | 147.9 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 720 | I | 23 | Very low | 24.2 | Very low | 165 Ų | 165 | 131 Ų | 131 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -164.5 | 141.9 | 151.6 | -105.5 | 151.1 | 0 | 0 | 0 | 111.6 | ||||
| 721 | L | 21.3 | Very low | 24.5 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -116.5 | 165.9 | 170.7 | -80.2 | 168.1 | 0 | 0 | 0 | 107.8 | ||||
| 722 | P | 42.9 | Very low | 24.4 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -141.1 | -162 | -17.4 | 26.5 | -1 | 0 | 0 | 0 | 114.2 | ||||
| 723 | I | 24 | Very low | 24.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 81 | 139.6 | 151.3 | -21.5 | 177.3 | 0 | 0 | 0 | 120.8 | ||||
| 724 | I | 23.2 | Very low | 24.5 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | 129.8 | 121.6 | 136.7 | -60.1 | -171.8 | 0 | 0 | 0 | 117.3 | ||||
| 725 | T | 23 | Very low | 24.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 60.8 | 109.3 | 158.1 | 54.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 726 | S | 22.7 | Very low | 25 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | 61.1 | 142.6 | 111 | 79.5 | 0 | 0 | 0 | 0 | 126 | |||||
| 727 | T | 24 | Very low | 24.6 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 82.2 | 121.7 | 142.6 | 39.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 728 | Q | 25 | Very low | 24.6 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | 72.1 | 126 | 146.9 | -61.6 | 179.6 | 24.1 | 0 | 0 | 119.9 | ||||
| 729 | G | 22.5 | Very low | 24.5 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | 167.2 | 87.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 730 | N | 23.2 | Very low | 24.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -91.7 | 144.7 | -174.6 | -179.8 | 25.5 | 0 | 0 | 0 | 112.5 | ||||
| 731 | I | 25.5 | Very low | 24.4 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -178.8 | 147.8 | 131.3 | -94.2 | 154.3 | 0 | 0 | 0 | 112.6 | ||||
| 732 | N | 23.3 | Very low | 24.3 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | trans | -72.8 | 157.2 | -172.7 | -39.2 | -80.3 | 0 | 0 | 0 | 115.4 | ||||
| 733 | T | 24.7 | Very low | 23.4 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | -173.5 | 158.5 | 104.4 | 23.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 734 | A | 22.1 | Very low | 23.4 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -135.6 | 161 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 735 | P | 30.5 | Very low | 23.4 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -148 | 132.5 | 127.7 | 33.9 | -16.6 | 0 | 0 | 0 | 117.2 | |||||
| 736 | N | 22.9 | Very low | 23.3 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 33.4 | 134.5 | 134.2 | -69.1 | -1.1 | 0 | 0 | 0 | 124.7 | ||||
| 737 | N | 24.8 | Very low | 23.3 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 132.4 | 123.8 | 136.9 | -71.3 | -25.9 | 0 | 0 | 0 | 111.5 | ||||
| 738 | S | 20.8 | Very low | 23.2 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 51% | 0.51 | 79% | 0.785 | S | S | . | * | 69.2 | 132.4 | 53.5 | 86.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 739 | W | 21.4 | Very low | 23.1 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | cis | -145.1 | 173 | 20.9 | -96.7 | -57 | 0 | 0 | 0 | 115.3 | ||||
| 740 | S | 20.4 | Very low | 23.1 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -54.4 | 166.5 | 168.4 | 54.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 741 | V | 23.7 | Very low | 23 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | -167.5 | 157.2 | 118.7 | 137.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 742 | S | 20.6 | Very low | 22.9 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -113.9 | 145.4 | -176.3 | -48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 743 | S | 23.2 | Very low | 22.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 46.4 | 121.6 | 143.8 | 63.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 744 | A | 23.7 | Very low | 22.9 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | -150 | 154.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 745 | L | 22.4 | Very low | 22.9 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -96.7 | 165.2 | -169.8 | -81.5 | 76.5 | 0 | 0 | 0 | 114.4 | ||||
| 746 | R | 22.3 | Very low | 22.6 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 72 | 162.1 | 150.7 | -73.6 | 159.8 | -164.4 | -158.7 | 6.8 | 118.2 | ||||
| 747 | A | 22.1 | Very low | 22.6 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | cis | -177.7 | 144.2 | -34.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 748 | G | 21.8 | Very low | 22.4 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 109.3 | 156.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 749 | Q | 23 | Very low | 22.6 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 76.3 | 145.4 | 165.9 | -54.7 | -172.7 | 13.2 | 0 | 0 | 118.9 | ||||
| 750 | S | 22.2 | Very low | 22.8 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | cis | -172.1 | 172.5 | -25 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 751 | R | 22.2 | Very low | 23.4 | Very low | 227 Ų | 227 | 145.8 Ų | 145.8 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | 96.1 | 131 | 166.5 | -61.6 | 172.2 | 175.8 | 178.4 | -3.1 | 116.1 | ||||
| 752 | V | 23.5 | Very low | 23.5 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | cis | 85.7 | 126.5 | 38.9 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 753 | D | 23.5 | Very low | 23.7 | Very low | 109 Ų | 109 | 148 Ų | 148 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | cis | -153.3 | 171.1 | 21.9 | -142.4 | -11.9 | 0 | 0 | 0 | 115.5 | ||||
| 754 | K | 23.9 | Very low | 23.8 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 4.5 | 140.6 | 160.8 | -61.1 | 142.1 | -166.4 | 149.8 | 0 | 122.3 | ||||
| 755 | K | 22.2 | Very low | 23.9 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 81% | 0.809 | 74% | 0.743 | S | S | * | * | -178 | 121.1 | 92.1 | -116.3 | -177.8 | 176.2 | -179.7 | 0 | 117 | |||||
| 756 | E | 23.4 | Very low | 24.1 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | 27.6 | 145.2 | 125.9 | -147 | -174.1 | 157.3 | 0 | 0 | 123.9 | |||||
| 757 | Q | 23.4 | Very low | 24.2 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | trans | 97.1 | 144.3 | 162.1 | -59.6 | -172.1 | 12.5 | 0 | 0 | 117.7 | ||||
| 758 | R | 21.5 | Very low | 24.4 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 74% | 0.736 | S | S | * | * | cis | -170.6 | 172.3 | -29.2 | -147.4 | -179.3 | -165.7 | -175.8 | 5.2 | 107.8 | ||||
| 759 | L | 23.9 | Very low | 24.5 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | 75.8 | 87.4 | 158.9 | -64.7 | 159.9 | 0 | 0 | 0 | 119.5 | ||||
| 760 | L | 25.3 | Very low | 24.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | -30.2 | 158.9 | 119 | -81.2 | 169.6 | 0 | 0 | 0 | 113.6 | |||||
| 761 | P | 33.5 | Very low | 24.6 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | -159.5 | -159.1 | 56.5 | 50.9 | -29.8 | 0 | 0 | 0 | 115.6 | |||||
| 762 | E | 24.8 | Very low | 24.8 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | cis | -133.8 | 140.2 | -1.3 | -104.1 | -153.1 | 148.3 | 0 | 0 | 108.4 | ||||
| 763 | K | 25.8 | Very low | 24.8 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | 61.6 | 149.2 | 89.3 | -66.2 | -170.3 | -150.2 | 153.7 | 0 | 115.1 | |||||
| 764 | N | 25.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | cis | -140.9 | 142.3 | 7.6 | -104.6 | -18.2 | 0 | 0 | 0 | 108.2 | ||||
| 765 | N | 25.9 | Very low | 24.8 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 56% | 0.561 | 75% | 0.747 | S | S | * | * | 73.1 | 108.3 | 64.8 | -76.1 | 67.8 | 0 | 0 | 0 | 115.5 | |||||
| 766 | N | 25.5 | Very low | 25 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | 175.2 | 133.2 | 96.5 | -77.9 | -45.7 | 0 | 0 | 0 | 108.1 | |||||
| 767 | D | 24.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | 93 | 151.7 | 36.6 | -81.1 | -47.1 | 0 | 0 | 0 | 115.5 | ||||
| 768 | V | 26.4 | Very low | 25.4 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | 79.8 | 125.4 | 170.6 | -164.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 769 | L | 24.7 | Very low | 26 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | cis | -149 | 152.7 | 38.3 | -166.9 | 63.8 | 0 | 0 | 0 | 114.7 | ||||
| 770 | L | 24.6 | Very low | 26.4 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -0.2 | 126.8 | 158.9 | -52.9 | 166.9 | 0 | 0 | 0 | 118.1 | ||||
| 771 | S | 22.7 | Very low | 26.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | 74 | 111.9 | 48.8 | 85.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 772 | E | 25.2 | Very low | 27 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | trans | -150.3 | 132.2 | 143 | -86.8 | -140.5 | 136.5 | 0 | 0 | 112.6 | ||||
| 773 | K | 24.9 | Very low | 27.6 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 48.5 | 87.6 | 145.6 | -58.8 | 165.1 | -171.5 | 149.1 | 0 | 119.2 | ||||
| 774 | M | 23.6 | Very low | 28 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 100% | 0.995 | 76% | 0.76 | S | S | * | * | trans | -88.2 | 124.5 | 137 | -70.4 | -170.8 | 103.9 | 0 | 0 | 109 | ||||
| 775 | A | 24.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -156.6 | 91.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 776 | G | 24.8 | Very low | 28.9 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -179.3 | 137.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D778 | G776-D778 PolarHBondContact O-N 3.02Š|
| 777 | E | 27.6 | Very low | 29.3 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 65.2 | 8.1 | 162.7 | -56.6 | -139.4 | 103.2 | 0 | 0 | 121.3 | A779 | E777-A779 PolarHBondContact O-N 2.97Š| ||
| 778 | D | 28.3 | Very low | 29.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 58.1 | 162.3 | -118.9 | -28.9 | 0 | 0 | 0 | 112 | G776 | G776-D778 PolarHBondContact O-N 3.02Š| ||
| 779 | A | 34.8 | Very low | 29.8 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 27.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E777 | E777-A779 PolarHBondContact O-N 2.97Š| ||
| 780 | K | 32.5 | Very low | 30.2 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -145.5 | 16.3 | -176.6 | -116.9 | 169.4 | -166.6 | 165.9 | 0 | 118.8 | ||
| 781 | L | 34.5 | Very low | 30.3 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -125 | -4.4 | 178.2 | -113.1 | 146.1 | 0 | 0 | 0 | 116.2 | G783 | L781-G783 PolarHBondContact O-N 2.82Š|
| 782 | T | 36.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 44.8 | 169 | 41.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 783 | G | 38.1 | Very low | 30.5 | Very low | 63 Ų | 63 | 146 Ų | 146 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | 6.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | L781 | L781-G783 PolarHBondContact O-N 2.82Š|
| 784 | L | 34.1 | Very low | 30.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -125.8 | -11.2 | -172.8 | -103.3 | 158 | 0 | 0 | 0 | 115.9 | T786 | L784-T786 VanDerWaalsContact C-N 3.26Å; L784-T786 PolarHBondContact O-N 3.41Å |
| 785 | H | 33 | Very low | 30.8 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 89% | 0.889 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 6.1 | -178.6 | -134.4 | -73 | 0 | 0 | 0 | 115 | ||
| 786 | T | 35.8 | Very low | 30.8 | Very low | 124 Ų | 124 | 150 Ų | 150 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 25.8 | -173.2 | -26.3 | 0 | 0 | 0 | 0 | 113.3 | L784 | L784-T786 VanDerWaalsContact C-N 3.26Å; L784-T786 PolarHBondContact O-N 3.41Å |
| 787 | K | 35.3 | Very low | 30.8 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -133 | 4.3 | 175.2 | -82.3 | -169.5 | 175.3 | 178.7 | 0 | 116.1 | ||
| 788 | L | 31.6 | Very low | 30.7 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -111.2 | 25.1 | -179.9 | -76.9 | 169.4 | 0 | 0 | 0 | 114.3 | ||
| 789 | S | 29.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 158.5 Ų | 158.5 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -124.3 | 47.7 | -179.9 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 790 | A | 32.8 | Very low | 30.1 | Very low | 79 Ų | 79 | 162 Ų | 162 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | trans | -145.4 | 23.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 791 | F | 26.4 | Very low | 29.9 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -133.2 | 99.7 | 168.7 | -89.8 | -76.4 | 0 | 0 | 0 | 112.2 | ||||
| 792 | I | 27.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 157.7 Ų | 157.7 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -98.3 | 115.7 | 171.3 | -63.3 | 170.9 | 0 | 0 | 0 | 108 | ||||
| 793 | F | 24.7 | Very low | 28.9 | Very low | 192 Ų | 192 | 158.9 Ų | 158.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 116.2 | 168.1 | -112.6 | -88.5 | 0 | 0 | 0 | 110.5 | ||
| 794 | K | 27.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 161.9 Ų | 161.9 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 148.1 | 166.5 | -87.9 | -175.1 | 173.3 | 179.9 | 0 | 110.2 | ||
| 795 | P | 26.8 | Very low | 28 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 154.7 | -178.8 | 30.6 | -36.5 | 0 | 0 | 0 | 111.7 | ||
| 796 | R | 24.5 | Very low | 27.6 | Very low | 246 Ų | 246 | 157.3 Ų | 157.3 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -141.1 | 117.1 | 173.8 | -151.8 | 171.7 | -168.6 | 169.8 | 3.2 | 111.4 | ||||
| 797 | N | 25.1 | Very low | 27.2 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -60.3 | 151 | 175 | -72.3 | -33.8 | 0 | 0 | 0 | 112.1 | ||||
| 798 | R | 25.1 | Very low | 26.9 | Very low | 249 Ų | 249 | 155.9 Ų | 155.9 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -128.5 | 120.1 | 150.9 | -90 | -174.3 | 164.2 | 174.8 | -5.1 | 109.8 | ||||
| 799 | K | 24.5 | Very low | 26.6 | Very low | 195 Ų | 195 | 157 Ų | 157 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -90.8 | 174.9 | 158.2 | -79 | -168.9 | 171.3 | -170.3 | 0 | 109.2 | ||||
| 800 | Q | 26.6 | Very low | 26.5 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -54.3 | 162.9 | 172.3 | -58.6 | 147.6 | -83.3 | 0 | 0 | 113 | ||||
| 801 | P | 28.5 | Very low | 26.3 | Very low | 127 Ų | 127 | 159.9 Ų | 159.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -111.4 | 130.6 | 140.7 | 34.2 | -24.9 | 0 | 0 | 0 | 111.2 | ||||
| 802 | D | 23.4 | Very low | 26.3 | Very low | 124 Ų | 124 | 160 Ų | 160 | 66% | 0.663 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 147.8 | 163.1 | -74.7 | -53.6 | 0 | 0 | 0 | 110.3 | ||||
| 803 | H | 25.5 | Very low | 26.3 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 48.6 | 148.5 | 152.3 | -73.3 | -71 | 0 | 0 | 0 | 123.8 | ||||
| 804 | S | 28.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 157.1 Ų | 157.1 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | 63.2 | 148.5 | 164.2 | 72.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 805 | G | 25 | Very low | 26.4 | Very low | 62 Ų | 62 | 151.7 Ų | 151.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 168 | 133.7 | -14 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 806 | N | 26.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | 64.8 | 159.8 | 172.3 | -48.3 | -16.3 | 0 | 0 | 0 | 115.5 | ||||
| 807 | E | 26.2 | Very low | 26.5 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | cis | -138.2 | 170.5 | 9.5 | -71.3 | 179.2 | 142 | 0 | 0 | 112.2 | ||||
| 808 | A | 28.9 | Very low | 26.5 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -167.7 | 24.9 | -49.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 809 | E | 25.9 | Very low | 26.6 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -108.4 | 141.5 | -176.3 | -78.5 | -158 | 156.6 | 0 | 0 | 114.4 | ||||
| 810 | T | 28.3 | Very low | 26.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 63% | 0.632 | 77% | 0.766 | S | S | * | * | cis | -155.8 | 160.4 | -30.5 | -39.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 811 | L | 27.1 | Very low | 26.4 | Very low | 144 Ų | 144 | 140 Ų | 140 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 73 | 112.2 | 168.8 | -52.4 | 172.2 | 0 | 0 | 0 | 115.8 | ||||
| 812 | R | 27.4 | Very low | 26.2 | Very low | 200 Ų | 200 | 138 Ų | 138 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | 76.6 | 134.3 | 67.3 | -75.4 | -172.9 | 177.7 | -132 | 14.7 | 113.6 | |||||
| 813 | E | 27.4 | Very low | 26.2 | Very low | 113 Ų | 113 | 137 Ų | 137 | 53% | 0.528 | 77% | 0.766 | S | S | . | * | cis | -153.8 | 143.7 | 5.8 | -135.2 | 159 | 172.7 | 0 | 0 | 115.1 | ||||
| 814 | K | 28.2 | Very low | 26.2 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 14.4 | 144.6 | 150.7 | -55 | 161.8 | -167.6 | 152 | 0 | 120.8 | ||||
| 815 | G | 26.3 | Very low | 26.1 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 140.5 | 166.3 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 816 | I | 28.4 | Very low | 26.1 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | 74.9 | 142.3 | 165.6 | -57.2 | 159.8 | 0 | 0 | 0 | 114 | ||||
| 817 | N | 25.4 | Very low | 26.1 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | -142.8 | 178.1 | 11.2 | -147.1 | -6.3 | 0 | 0 | 0 | 114.5 | ||||
| 818 | M | 25.1 | Very low | 25.9 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -76.2 | 157 | 160.6 | -61.7 | 164.9 | 57.3 | 0 | 0 | 112.6 | ||||
| 819 | Q | 26.2 | Very low | 25.7 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | 174.5 | 177.2 | 111.8 | -96.2 | -177 | -5.3 | 0 | 0 | 113.8 | |||||
| 820 | T | 24 | Very low | 25.6 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -103.9 | 166.4 | -171.7 | 44.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 821 | S | 23.1 | Very low | 25.4 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 96.9 | 146.9 | 148.9 | 81.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 822 | A | 24.6 | Very low | 25.7 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 73.6 | 104.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 823 | S | 23.3 | Very low | 25.7 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 72.9 | 133.4 | 120.5 | 67.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 824 | H | 25.6 | Very low | 25.7 | Very low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 68.7 | 120.7 | 153.7 | -75.2 | -70.5 | 0 | 0 | 0 | 121.3 | ||||
| 825 | D | 24.7 | Very low | 25.6 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | 40.9 | 137.4 | 128.4 | -43.3 | -24 | 0 | 0 | 0 | 119.2 | |||||
| 826 | D | 25.5 | Very low | 25.9 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | -162.8 | -179 | 50.6 | -150 | -14.2 | 0 | 0 | 0 | 114.7 | |||||
| 827 | L | 26 | Very low | 25.8 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -34 | 138.8 | 178 | -66.8 | 146.7 | 0 | 0 | 0 | 117.2 | ||||
| 828 | T | 23.6 | Very low | 25.9 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | -176.4 | 154.7 | 87.8 | 28.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 829 | S | 23.8 | Very low | 25.9 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -17 | 146.2 | 167.9 | 59.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 830 | Q | 24.6 | Very low | 26 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | -164.3 | 162.7 | 114.3 | -105.8 | 173.2 | 47.8 | 0 | 0 | 113.9 | |||||
| 831 | M | 22.3 | Very low | 26.1 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | -117 | 167.6 | 178.3 | -53.6 | 177.4 | 68.3 | 0 | 0 | 111 | Q833 | M831-Q833 HydrophobicContact CE-CG 4.32Š| ||
| 832 | P | 34.3 | Very low | 26.2 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | -131.9 | 149 | 82.8 | 7.6 | 16.6 | 0 | 0 | 0 | 113.6 | |||||
| 833 | Q | 26.7 | Very low | 26.2 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | 63.4 | 139.3 | 76.7 | -61.8 | -161.4 | 42.4 | 0 | 0 | 115.3 | M831 | M831-Q833 HydrophobicContact CE-CG 4.32Š| |||
| 834 | A | 27.3 | Very low | 26.3 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | cis | -165.6 | 151.3 | 7.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 835 | K | 28 | Very low | 26.3 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | 64.1 | 160.9 | 139.3 | -63.5 | 165.2 | -172.3 | 165.1 | 0 | 121.4 | ||||
| 836 | K | 30.8 | Very low | 26.4 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | cis | 179.2 | 142.3 | -39.6 | -149.5 | 175.6 | -172.8 | 178.2 | 0 | 109.7 | ||||
| 837 | K | 27.6 | Very low | 26.5 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 150.8 | 151.2 | 149.3 | -86.9 | 170.7 | -178.3 | 173.6 | 0 | 109.6 | ||||
| 838 | K | 26 | Very low | 26.4 | Very low | 158 Ų | 158 | 143 Ų | 143 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | cis | -155.7 | 143.7 | 6.3 | -134.6 | -169.3 | -179.4 | -143.3 | 0 | 110.6 | ||||
| 839 | Q | 26.6 | Very low | 26.7 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | trans | 50.5 | 149 | 140.7 | -76.1 | -176.3 | -68.1 | 0 | 0 | 122.1 | ||||
| 840 | M | 27 | Very low | 26.8 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | cis | -174.2 | 141.8 | -15.1 | -166.3 | 151.6 | 173.2 | 0 | 0 | 109.8 | ||||
| 841 | E | 26.1 | Very low | 26.8 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 48.3 | 144.6 | 151.7 | -66.9 | 170.1 | -172.1 | 0 | 0 | 121.1 | ||||
| 842 | K | 25 | Very low | 27 | Very low | 174 Ų | 174 | 143 Ų | 143 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | -159.7 | 145.7 | 54.3 | -84.5 | -176.9 | 175.6 | 180 | 0 | 114.5 | |||||
| 843 | L | 25.4 | Very low | 26.5 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 52.8 | 130.6 | 153 | -75 | 87.8 | 0 | 0 | 0 | 119.2 | ||||
| 844 | N | 26.3 | Very low | 26.5 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 65.1 | 130.5 | 62 | -74.8 | 12.4 | 0 | 0 | 0 | 112.8 | |||||
| 845 | N | 25.6 | Very low | 27.3 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | cis | -138.7 | 175.2 | 8.5 | -78 | -38.1 | 0 | 0 | 0 | 109.4 | ||||
| 846 | G | 25.2 | Very low | 27.3 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | cis | 142 | 137.5 | -5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 847 | H | 28.5 | Very low | 27.2 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 71.3 | 134.3 | 179.7 | -74.2 | 44.7 | 0 | 0 | 0 | 115.6 | ||||
| 848 | S | 24.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | 86.7 | 146.5 | 54.9 | 104.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 849 | Q | 28.2 | Very low | 27.3 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -158.2 | 138.2 | 12 | -136.9 | 162.9 | 1 | 0 | 0 | 112.4 | ||||
| 850 | H | 25.9 | Very low | 27.3 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | 53.8 | 162.5 | 136.4 | -100.1 | -92.6 | 0 | 0 | 0 | 126.7 | ||||
| 851 | C | 25 | Very low | 27.3 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 72% | 0.716 | 75% | 0.753 | S | S | * | * | trans | 76 | 113.1 | 162.3 | -62.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 852 | T | 26.1 | Very low | 27.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | cis | 85.1 | 110.7 | 47.2 | 66.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 853 | G | 24.6 | Very low | 27.3 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -176.8 | 144 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 854 | K | 26.5 | Very low | 27.2 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -138 | 177 | 179.8 | -106.2 | -176.2 | 179.4 | -177.8 | 0 | 106.9 | ||||
| 855 | P | 43.9 | Very low | 27.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -138.1 | -153.8 | -17.3 | 32.8 | -8.1 | 0 | 0 | 0 | 113.1 | ||||
| 856 | T | 27.2 | Very low | 27.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 151.9 | 153.4 | 49.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 857 | A | 29.3 | Very low | 27.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | cis | -173.4 | 170.5 | -22.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 858 | A | 27.8 | Very low | 27.4 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 71.8 | 155.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 859 | Q | 28.7 | Very low | 27.3 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -160.6 | 137 | -15.4 | -119.4 | 169.9 | -20.4 | 0 | 0 | 113.2 | ||||
| 860 | T | 26.4 | Very low | 27 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 64% | 0.638 | 74% | 0.744 | S | S | * | * | trans | 24.7 | 129 | 140.3 | 57.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 861 | N | 26.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 167.6 | 151.6 | 96.8 | -96.7 | -27.3 | 0 | 0 | 0 | 117.6 | |||||
| 862 | L | 27 | Very low | 26.7 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | 36.8 | 118.4 | 149.1 | -85.6 | 71.9 | 0 | 0 | 0 | 121.1 | ||||
| 863 | E | 25.1 | Very low | 26.5 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 85.2 | 118.2 | 80.3 | -82.2 | -171.3 | 178.7 | 0 | 0 | 116 | |||||
| 864 | R | 23.3 | Very low | 26.4 | Very low | 234 Ų | 234 | 137.1 Ų | 137.1 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | 178.9 | 153.4 | 106 | -95.3 | 176.8 | -165.4 | -177.9 | 4.6 | 114.4 | |||||
| 865 | V | 25.3 | Very low | 26.3 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -98.3 | 143.6 | 173.6 | 164.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 866 | P | 34.4 | Very low | 25.4 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | -155.9 | 163.4 | 84.3 | 43.7 | -23 | 0 | 0 | 0 | 119.7 | |||||
| 867 | H | 24.3 | Very low | 25.1 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | 26.6 | 148.3 | 126.2 | -59.7 | -115.6 | 0 | 0 | 0 | 119.6 | |||||
| 868 | E | 24.5 | Very low | 24.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -167.5 | 178.1 | 14.9 | -131.7 | 159.4 | -145.3 | 0 | 0 | 114.2 | ||||
| 869 | T | 22.5 | Very low | 24.7 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | 59.9 | 126 | 148.3 | 51.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 870 | E | 23 | Very low | 24.5 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | 80.4 | 105.6 | 123.9 | -67.5 | -172 | 173.2 | 0 | 0 | 125.4 | |||||
| 871 | T | 22 | Very low | 24.4 | Very low | 119 Ų | 119 | 149 Ų | 149 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | 80.9 | 146 | 123.9 | 70 | 0 | 0 | 0 | 0 | 124 | |||||
| 872 | S | 22.6 | Very low | 24.3 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 97.3 | 110.7 | 142.6 | 78.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 873 | K | 22.3 | Very low | 24.1 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 29.6 | 118 | 136.7 | -65.6 | 179 | 177.7 | 177.6 | 0 | 120.8 | ||||
| 874 | C | 22.1 | Very low | 24 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | 29.5 | 124.6 | 117.3 | -57.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 875 | E | 22.9 | Very low | 24.3 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | -168 | 178.3 | 101.5 | -112.3 | -171.8 | -157.1 | 0 | 0 | 114 | |||||
| 876 | L | 25.3 | Very low | 24.3 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -100.5 | 146.5 | -170.3 | -66.8 | 74.6 | 0 | 0 | 0 | 114.2 | ||||
| 877 | K | 21.7 | Very low | 23.9 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -176.4 | 126.3 | 132.1 | -90.3 | 136 | -161.9 | 158.8 | 0 | 108.8 | ||||
| 878 | K | 23.5 | Very low | 24 | Very low | 201 Ų | 201 | 152.7 Ų | 152.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 64.7 | 101.5 | 69.9 | -87.3 | -161.1 | 172.2 | -169.8 | 0 | 115.6 | |||||
| 879 | S | 25.6 | Very low | 24 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -179.7 | 94.2 | 132.3 | 59 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 880 | D | 23.6 | Very low | 24.1 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 34.5 | 136 | 131.1 | -51 | -27 | 0 | 0 | 0 | 124.6 | ||||
| 881 | L | 25.6 | Very low | 24.1 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | 73.1 | 144.7 | 154.7 | -61.8 | 160.8 | 0 | 0 | 0 | 117 | ||||
| 882 | I | 24.1 | Very low | 24.4 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | cis | -140.3 | 154.7 | 41.9 | -71.6 | 165.4 | 0 | 0 | 0 | 113.2 | ||||
| 883 | H | 23.1 | Very low | 24.5 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -68.9 | 170.9 | 174.3 | -84.8 | -21.3 | 0 | 0 | 0 | 114.9 | ||||
| 884 | V | 23.4 | Very low | 24.5 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | cis | -165.9 | 175.6 | 2.1 | -101.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 885 | P | 28.3 | Very low | 24.6 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | cis | -124.8 | -172.1 | -15.6 | 37.4 | -20.6 | 0 | 0 | 0 | 112.2 | ||||
| 886 | N | 25.7 | Very low | 24.5 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -147.7 | 158.5 | 159.6 | -149.8 | -9.4 | 0 | 0 | 0 | 113.3 | ||||
| 887 | Q | 26.3 | Very low | 24.5 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -97.5 | 174.8 | -173.8 | -65.6 | -177.2 | -4.7 | 0 | 0 | 113.2 | A889 | Q887-A889 PolarHBondContact O-N 3.1Š| ||
| 888 | H | 26.1 | Very low | 24.6 | Very low | 203 Ų | 203 | 148.6 Ų | 148.6 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | trans | -55.8 | 122.4 | -171.8 | -69.2 | -77.1 | 0 | 0 | 0 | 115.4 | ||||
| 889 | A | 25 | Very low | 24.6 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 140 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q887 | Q887-A889 PolarHBondContact O-N 3.1Š| ||
| 890 | K | 23.4 | Very low | 24.8 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 131 | 178.2 | -66.1 | -178.3 | 178.6 | -177 | 0 | 110.5 | ||
| 891 | P | 24.5 | Very low | 25 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 155.4 | 157.4 | 33 | -32.3 | 0 | 0 | 0 | 110.4 | ||
| 892 | V | 26.9 | Very low | 25.6 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 128.8 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 893 | S | 24.9 | Very low | 26.3 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 140.1 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 894 | N | 22.7 | Very low | 27.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 156.3 | -179.1 | -79.2 | -31.2 | 0 | 0 | 0 | 113.5 | ||
| 895 | S | 23.4 | Very low | 28 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 49.3 | 78.9 | 157.5 | 56.2 | 0 | 0 | 0 | 0 | 117.3 | V897 | S895-V897 PolarHBondContact O-N 2.83Š| ||
| 896 | E | 21.9 | Very low | 28.6 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -63.2 | 121.6 | 157.7 | -66.1 | -178.9 | 138.2 | 0 | 0 | 110.2 | N898 | E896-N898 PolarHBondContact O-N 3.04Š| ||
| 897 | V | 24.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 145 Ų | 145 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -69.5 | 122.9 | 167.5 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | S895 M899 | S895-V897 PolarHBondContact O-N 2.83Å; V897-M899 VanDerWaalsContact C-N 3.29Å; V897-M899 PolarHBondContact O-N 3.32Å | ||
| 898 | N | 23.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | trans | -79.5 | 72 | -167 | -163.1 | -31.9 | 0 | 0 | 0 | 112.2 | E896 R900 | E896-N898 PolarHBondContact O-N 3.04Å; N898-R900 PolarHBondContact O-N 3.33Å; N898-R900 WeakPolarHBondContact OD1-CG 3.22Å | ||
| 899 | M | 24.3 | Very low | 29.2 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | -66.2 | 79.6 | 168.9 | -86 | -154.2 | 172.3 | 0 | 0 | 110.8 | V897 K901 | V897-M899 VanDerWaalsContact C-N 3.29Å; V897-M899 PolarHBondContact O-N 3.32Å; M899-K901 PolarHBondContact O-N 3.45Å | ||
| 900 | R | 28.6 | Very low | 29.3 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -58.9 | 120.6 | 164.9 | -65.8 | -179.1 | 175.4 | 179.9 | -1.4 | 108.4 | N898 R902 | N898-R900 PolarHBondContact O-N 3.33Å; N898-R900 WeakPolarHBondContact OD1-CG 3.22Å; R900-R902 PolarHBondContact O-N 2.78Å | ||
| 901 | K | 28.1 | Very low | 29.4 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -58.5 | 96.2 | 169.9 | -66.1 | -168.6 | 179.5 | -164.1 | 0 | 109.6 | M899 K903 | M899-K901 PolarHBondContact O-N 3.45Å; K901-K903 PolarHBondContact O-N 3.18Å | ||
| 902 | R | 39.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 56% | 0.562 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.4 | 176.7 | -63.6 | -177.2 | -177.2 | 171 | 1.4 | 107.6 | V146 D205 R900 | V146-R902 HydrophobicContact CG2-CB 3.81Å; V146-R902 HydrophobicContact CG2-CG 4.34Å; D205-R902 IonicContact OD1-CZ 2.73Å; D205-R902 IonicContact OD1-NH1 3.85Å; D205-R902 PolarHBondContact OD1-NH1 3.19Å; D205-R902 IonicContact OD2-NH1 2.71Å; R900-R902 PolarHBondContact O-N 2.78Å |
| 903 | K | 39.3 | Very low | 29.4 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.1 | 169 | -69.9 | -175.6 | 176.6 | -177 | 0 | 107.9 | K901 F905 | K901-K903 PolarHBondContact O-N 3.18Å; K903-F905 WeakPolarHBondContact O-CD2 3.25Å; K903-F905 WeakPolarHBondContact O-CE2 3.15Å; K903-F905 PolarHBondContact O-N 2.69Å |
| 904 | C | 40.2 | Very low | 29.5 | Very low | 45 Ų | 45 | 138.8 Ų | 138.8 | 30% | 0.304 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 130.6 | 172.8 | -61.2 | 0 | 0 | 0 | 0 | 109.1 | E148 P200 | E148-C904 HydrophobicContact CG-CB 4.42Å; P200-C904 HydrophobicContact CG-CB 4.44Å |
| 905 | F | 41.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 58% | 0.575 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -94 | 117.4 | -174.7 | -83.7 | -93.1 | 0 | 0 | 0 | 110.8 | V146 K903 L907 | V146-F905 PolarHBondContact O-N 3.35Å; K903-F905 WeakPolarHBondContact O-CD2 3.25Å; K903-F905 WeakPolarHBondContact O-CE2 3.15Å; K903-F905 PolarHBondContact O-N 2.69Å; F905-L907 PolarHBondContact O-N 3.02Å |
| 906 | N | 40.6 | Very low | 30.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 44% | 0.439 | 72% | 0.72 | S | S | . | * | trans | -90.6 | 99.8 | 175 | -93.4 | -91.2 | 0 | 0 | 0 | 110.5 | E148 R151 S908 | E148-N906 PolarHBondContact OE1-ND2 2.96Å; R151-N906 PolarHBondContact NH2-OD1 3.42Å; N906-S908 PolarHBondContact O-N 3.24Å | ||
| 907 | L | 38.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 56% | 0.555 | 72% | 0.716 | S | S | * | * | trans | -75.7 | 71.8 | 169.3 | -71.6 | 170.6 | 0 | 0 | 0 | 110.2 | L147 F905 | L147-L907 HydrophobicContact CD2-CD1 4.37Å; F905-L907 PolarHBondContact O-N 3.02Å | ||
| 908 | S | 25.6 | Very low | 30.5 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 134.4 | 170.5 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | N906 | N906-S908 PolarHBondContact O-N 3.24Š|
| 909 | P | 27 | Very low | 30.5 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 49% | 0.494 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 150.5 | 168.7 | 28 | -34 | 0 | 0 | 0 | 110.1 | L911 | P909-L911 PolarHBondContact O-N 3.44Å; P909-L911 VanDerWaalsContact O-N 3.16Å |
| 910 | P | 26.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.9 | 179.9 | 26.3 | -33.6 | 0 | 0 | 0 | 110.6 | N912 | P910-N912 VanDerWaalsContact C-N 3.34Å; P910-N912 PolarHBondContact O-N 3.3Å |
| 911 | L | 25.9 | Very low | 30.5 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | -70.2 | 86.7 | 175.7 | -77.1 | 166.6 | 0 | 0 | 0 | 110.7 | P909 N913 | P909-L911 PolarHBondContact O-N 3.44Å; P909-L911 VanDerWaalsContact O-N 3.16Å; L911-N913 PolarHBondContact O-N 3.42Å | ||
| 912 | N | 25.3 | Very low | 30.3 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | trans | -63.5 | 116.3 | 164.5 | -90.4 | -4.7 | 0 | 0 | 0 | 109.1 | P910 D914 | P910-N912 VanDerWaalsContact C-N 3.34Å; P910-N912 PolarHBondContact O-N 3.3Å; N912-D914 PolarHBondContact O-N 3.21Å | ||
| 913 | N | 26 | Very low | 29.6 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -96.8 | 75.8 | -170.9 | -175.2 | 43.3 | 0 | 0 | 0 | 110.8 | L911 | L911-N913 PolarHBondContact O-N 3.42Š| ||
| 914 | D | 27.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | -120.4 | 131.8 | 175.8 | -115.5 | -41 | 0 | 0 | 0 | 111.7 | N912 | N912-D914 PolarHBondContact O-N 3.21Š| ||
| 915 | G | 30.7 | Very low | 28 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -99.8 | 111.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 916 | S | 27.5 | Very low | 27.1 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -123.6 | 159.4 | 166.1 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 917 | K | 27.8 | Very low | 26.3 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -93.3 | 147.3 | -168.9 | -65.6 | 174.1 | -177.4 | 172.1 | 0 | 111.4 | ||||
| 918 | P | 27.8 | Very low | 26 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 142.5 | 172.4 | 30.7 | -35 | 0 | 0 | 0 | 111.1 | ||||
| 919 | F | 23.4 | Very low | 25.9 | Very low | 213 Ų | 213 | 138 Ų | 138 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | trans | -112.9 | 153.8 | 159 | -106.5 | -93 | 0 | 0 | 0 | 109.8 | ||||
| 920 | L | 26.9 | Very low | 26.1 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -104.3 | 164.9 | -169.5 | -87.8 | 168.2 | 0 | 0 | 0 | 112.9 | ||||
| 921 | S | 26.7 | Very low | 25.9 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 71.4 | 138.9 | 174.2 | 73.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 922 | G | 23.3 | Very low | 25.8 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | cis | 152 | 108.6 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 923 | F | 24.8 | Very low | 26.3 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 134.4 | 162.1 | -85.2 | -81.7 | 0 | 0 | 0 | 109.9 | ||||
| 924 | S | 21.5 | Very low | 26.6 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -107.8 | 130.5 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 925 | F | 23 | Very low | 26.9 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -141.6 | 92 | 166.1 | -143.4 | -91.3 | 0 | 0 | 0 | 111.7 | G927 | F925-G927 PolarHBondContact O-N 2.83Š| ||
| 926 | S | 23.7 | Very low | 26.8 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -70.6 | 105.6 | 158.9 | 51.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 927 | G | 23.9 | Very low | 27 | Very low | 46 Ų | 46 | 142.8 Ų | 142.8 | 47% | 0.474 | 80% | 0.803 | S | S | . | * | trans | -159.7 | 94.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F925 T929 | F925-G927 PolarHBondContact O-N 2.83Å; G927-T929 PolarHBondContact O-N 3.23Å | ||
| 928 | L | 30.7 | Very low | 27.2 | Very low | 185 Ų | 185 | 139 Ų | 139 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | trans | -83.3 | 100.1 | 169.9 | -147.9 | 91.9 | 0 | 0 | 0 | 108.2 | ||||
| 929 | T | 23.5 | Very low | 27.3 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 63% | 0.632 | 80% | 0.798 | S | S | * | * | trans | -125.5 | 119.3 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | G927 F931 | G927-T929 PolarHBondContact O-N 3.23Å; T929-F931 PolarHBondContact O-N 3.35Å | ||
| 930 | V | 30.8 | Very low | 27.8 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.6 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 931 | F | 23.6 | Very low | 28 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 130 | 161.8 | -93 | -88.5 | 0 | 0 | 0 | 108.7 | T929 | T929-F931 PolarHBondContact O-N 3.35Š|
| 932 | S | 23.8 | Very low | 28.2 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143 | 176.5 | -163.1 | 0 | 0 | 0 | 0 | 110.1 | D934 | S932-D934 PolarHBondContact O-N 3.25Š|
| 933 | S | 35.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -63.2 | 114.3 | 153.7 | 50.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 934 | D | 32.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -174.9 | 158.4 | 152 | -92.8 | -29.2 | 0 | 0 | 0 | 108.2 | S932 | S932-D934 PolarHBondContact O-N 3.25Š| ||
| 935 | V | 34.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | 68 | 65.9 | -179.3 | -161.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 936 | L | 28.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -139.6 | 46.4 | 150.2 | -82.3 | -173.3 | 0 | 0 | 0 | 111.8 | ||||
| 937 | D | 29.6 | Very low | 29.8 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -107.1 | 98.4 | 166 | -94.9 | -28.5 | 0 | 0 | 0 | 109.9 | ||||
| 938 | T | 32.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | -145.6 | 127.1 | 160.5 | 43.4 | 0 | 0 | 0 | 0 | 110 | W940 | T938-W940 PolarHBondContact O-N 3.07Š| ||
| 939 | D | 30.9 | Very low | 30.1 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -63.1 | 128.9 | -177.6 | -64.1 | -72.4 | 0 | 0 | 0 | 112.7 | ||||
| 940 | W | 33.1 | Very low | 30.3 | Very low | 227 Ų | 227 | 154.6 Ų | 154.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -100.3 | 1.3 | 175.6 | -95.8 | 80 | 0 | 0 | 0 | 114.3 | T938 Q942 | T938-W940 PolarHBondContact O-N 3.07Å; W940-Q942 PolarHBondContact O-N 3.3Å | ||
| 941 | D | 31 | Very low | 30.3 | Very low | 162 Ų | 162 | 154 Ų | 154 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 16.5 | -171.6 | -80.2 | -31.4 | 0 | 0 | 0 | 115 | ||
| 942 | Q | 31.5 | Very low | 31.4 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 28.1 | -176.3 | -70.8 | -156.8 | 18.1 | 0 | 0 | 117.8 | W940 | W940-Q942 PolarHBondContact O-N 3.3Š|
| 943 | E | 30 | Very low | 31.8 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -137.6 | 19.3 | 169.8 | -139.6 | 166.7 | -154.3 | 0 | 0 | 118.3 | ||
| 944 | V | 30 | Very low | 31.8 | Very low | 150 Ų | 150 | 163.8 Ų | 163.8 | 91% | 0.909 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -103.4 | 52.4 | 174.7 | -162.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 945 | S | 29.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 164.7 Ų | 164.7 | 74% | 0.741 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -150.5 | 35.6 | 176 | 80.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 946 | K | 33.1 | Very low | 31.6 | Very low | 198 Ų | 198 | 166.2 Ų | 166.2 | 86% | 0.861 | 86% | 0.862 | S | S | * | * | trans | -154.5 | 26.1 | -176.3 | -118.7 | 162.2 | -166.4 | 170 | 0 | 120 | ||||
| 947 | T | 27.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 165.8 Ų | 165.8 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | trans | -133.1 | 72.8 | 176.3 | 39.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 948 | T | 29.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 165.9 Ų | 165.9 | 83% | 0.834 | 86% | 0.859 | S | S | * | * | trans | -114.6 | 96.1 | 164.7 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 949 | K | 30.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 169.2 Ų | 169.2 | 83% | 0.83 | 87% | 0.869 | S | S | * | * | trans | -174.9 | 163.1 | 150.5 | -111.7 | 170.3 | -173.4 | -177.7 | 0 | 115.4 | ||||
| 950 | D | 29.3 | Very low | 32 | Very low | 139 Ų | 139 | 170.1 Ų | 170.1 | 74% | 0.743 | 87% | 0.871 | S | S | * | * | trans | 68.4 | 79.7 | 156.7 | -53.8 | -17.2 | 0 | 0 | 0 | 119.4 | ||||
| 951 | C | 29.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 166.1 Ų | 166.1 | 90% | 0.899 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.3 | 150.2 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 952 | P | 47.8 | Very low | 32 | Very low | 123 Ų | 123 | 166.4 Ų | 166.4 | 80% | 0.799 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 140 | 160.6 | 34.1 | -29.4 | 0 | 0 | 0 | 111.7 | ||
| 953 | H | 32.7 | Very low | 32 | Very low | 193 Ų | 193 | 164.8 Ų | 164.8 | 89% | 0.894 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 131.8 | 168.3 | -81.8 | -85.5 | 0 | 0 | 0 | 111.7 | ||
| 954 | K | 34.9 | Very low | 32.2 | Very low | 280 Ų | 280 | 163.3 Ų | 163.3 | 100% | 1.217 | 88% | 0.875 | S | S | * | * | -164.5 | 0 | 125.4 | -111 | 170.7 | -176.2 | 177.3 | 0 | 112.6 |
Retrieved 954 of 954 residues in 202.3 ms
(Link to these results)