| 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 | 77.8 | Confident | 92.1 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.069 | 21% | 0.205 | C | C | . | . | 0 | 137.8 | 0 | -53.1 | 170.3 | -80.4 | 0 | 0 | 108.5 | E236 V237 Q239 A372 Y401 Q402 | M1-E236 WeakPolarHBondContact CG-O 3.5Å; M1-E236 PolarHBondContact N-O 3.45Å; M1-V237 WeakPolarHBondContact CE-O 3.37Å; M1-V237 VanDerWaalsContact SD-O 3.39Å; M1-Q239 HydrophobicContact CE-CG 3.65Å; M1-A372 HydrophobicContact SD-CB 3.99Å; M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.21Å; M1-Y401 HydrophobicContact CB-CG 4.49Å; M1-Y401 HydrophobicContact CG-CD1 4.41Å; M1-Y401 HydrophobicContact CG-CE1 4.44Å; M1-Y401 PolarHBondContact O-OH 2.96Å; M1-Q402 HydrophobicContact CG-CG 4.13Å; M1-Q402 HydrophobicContact SD-CG 3.65Å | |||
| 2 | V | 87.7 | Confident | 92 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | trans | -154.5 | 156.7 | -174.6 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | L130 L133 I134 Y401 | V2-L130 HydrophobicContact CG1-CD1 4.28Å; V2-L133 HydrophobicContact CB-CD2 3.85Å; V2-L133 HydrophobicContact CB-CG 3.87Å; V2-L133 HydrophobicContact CG1-CB 4.41Å; V2-L133 HydrophobicContact CG1-CD2 3.97Å; V2-L133 HydrophobicContact CG1-CG 3.82Å; V2-L133 HydrophobicContact CG2-CD2 4.21Å; V2-I134 HydrophobicContact CG1-CG1 3.81Å; V2-Y401 PolarHBondContact N-O 3.02Å | ||
| 3 | L | 94.1 | Very high | 92 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -68.9 | 164.2 | 167.5 | -77.3 | 176.5 | 0 | 0 | 0 | 112.4 | L7 F8 I19 I136 G137 I139 Y401 | L3-L7 HydrophobicContact CD2-CD1 4.35Å; L3-F8 HydrophobicContact CB-CE2 4.02Å; L3-F8 HydrophobicContact CB-CZ 4.48Å; L3-F8 HydrophobicContact CD1-CE2 4.5Å; L3-F8 HydrophobicContact CD1-CZ 4.34Å; L3-I19 HydrophobicContact CD1-CG2 3.92Å; L3-I136 HydrophobicContact CD1-CG2 3.78Å; L3-G137 WeakPolarHBondContact CD1-O 3.18Å; L3-I139 HydrophobicContact CD1-CD1 4.07Å; L3-I139 HydrophobicContact CD2-CD1 4.34Å; L3-I139 HydrophobicContact CD2-CG1 4.12Å; L3-Y401 HydrophobicContact CD2-CD2 4.15Å; L3-Y401 HydrophobicContact CD2-CE2 4.49Å; L3-Y401 HydrophobicContact CG-CD2 4.22Å; L3-Y401 HydrophobicContact CG-CE2 4.09Å | ||
| 4 | D | 93.1 | Very high | 92 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | trans | -63.1 | 136 | 169.6 | -157.2 | -19.4 | 0 | 0 | 0 | 111.6 | D6 L7 F8 R404 | D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.15Å; D4-D6 PolarHBondContact OD1-N 3.46Å; D4-D6 VanDerWaalsContact OD1-N 3.09Å; D4-L7 HydrophobicContact CB-CB 4.43Å; D4-L7 HydrophobicContact CB-CD1 3.92Å; D4-L7 HydrophobicContact CB-CG 3.9Å; D4-L7 PolarHBondContact O-N 2.76Å; D4-F8 WeakPolarHBondContact O-CD2 3.35Å; D4-F8 WeakPolarHBondContact O-CE2 3.29Å; D4-R404 IonicContact OD1-CZ 3.32Å; D4-R404 IonicContact OD1-NH1 3Å; D4-R404 PolarHBondContact OD1-NH1 3.27Å; D4-R404 IonicContact OD2-CZ 3.46Å; D4-R404 IonicContact OD2-NH1 2.7Å; D4-R404 PolarHBondContact OD2-NH1 3.48Å; D4-R404 IonicContact OD2-NH2 3.18Å; D4-R404 PolarHBondContact OD2-NH2 3.26Å | ||
| 5 | I | 93.8 | Very high | 92.3 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -70 | -29.1 | 173.9 | -167.1 | 58.2 | 0 | 0 | 0 | 111.7 | L7 F8 V36 D40 | I5-L7 PolarHBondContact O-N 3.02Å; I5-F8 HydrophobicContact CD1-CB 4.47Å; I5-F8 HydrophobicContact CD1-CD2 4.28Å; I5-F8 WeakPolarHBondContact O-CB 3.45Å; I5-F8 PolarHBondContact O-N 3.48Å; I5-V36 HydrophobicContact CD1-CG1 3.97Å; I5-D40 HydrophobicContact CD1-CB 4.27Å |
| 6 | D | 92.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -70.4 | -21 | 179.8 | -74.2 | -24.2 | 0 | 0 | 0 | 112.1 | D4 F8 R9 K12 G14 | D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.15Å; D4-D6 PolarHBondContact OD1-N 3.46Å; D4-D6 VanDerWaalsContact OD1-N 3.09Å; D6-F8 PolarHBondContact O-N 3.25Å; D6-R9 PolarHBondContact O-N 3.33Å; D6-R9 VanDerWaalsContact O-N 3.09Å; D6-R9 WeakPolarHBondContact OD1-CD 3.32Å; D6-R9 IonicContact OD1-CZ 3.99Å; D6-R9 IonicContact OD1-NE 3.3Å; D6-R9 IonicContact OD1-NH1 3.52Å; D6-R9 PolarHBondContact OD1-NH1 3.04Å; D6-K12 HydrophobicContact CB-CB 4.21Å; D6-G14 VanDerWaalsContact O-CA 3.28Å; D6-G14 WeakPolarHBondContact O-CA 3.45Å |
| 7 | L | 94 | Very high | 92.9 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -64.7 | -24 | 169.4 | -70.7 | 170.5 | 0 | 0 | 0 | 113.2 | L3 D4 I5 R9 G14 N15 I19 | L3-L7 HydrophobicContact CD2-CD1 4.35Å; D4-L7 HydrophobicContact CB-CB 4.43Å; D4-L7 HydrophobicContact CB-CD1 3.92Å; D4-L7 HydrophobicContact CB-CG 3.9Å; D4-L7 PolarHBondContact O-N 2.76Å; I5-L7 PolarHBondContact O-N 3.02Å; L7-R9 VanDerWaalsContact C-N 3.34Å; L7-G14 CarbonylContact O-C 3.6Å; L7-N15 CarbonylContact O-C 3.6Å; L7-N15 PolarHBondContact O-N 3.45Å; L7-I19 HydrophobicContact CB-CD1 3.86Å |
| 8 | F | 97 | Very high | 93.2 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -86.8 | -3.9 | 176.5 | -62.6 | -101.8 | 0 | 0 | 0 | 112.7 | L3 D4 I5 D6 P16 I19 V33 V36 I37 L133 I136 | L3-F8 HydrophobicContact CB-CE2 4.02Å; L3-F8 HydrophobicContact CB-CZ 4.48Å; L3-F8 HydrophobicContact CD1-CE2 4.5Å; L3-F8 HydrophobicContact CD1-CZ 4.34Å; D4-F8 WeakPolarHBondContact O-CD2 3.35Å; D4-F8 WeakPolarHBondContact O-CE2 3.29Å; I5-F8 HydrophobicContact CD1-CB 4.47Å; I5-F8 HydrophobicContact CD1-CD2 4.28Å; I5-F8 WeakPolarHBondContact O-CB 3.45Å; I5-F8 PolarHBondContact O-N 3.48Å; D6-F8 PolarHBondContact O-N 3.25Å; F8-P16 WeakPolarHBondContact O-CG 3.38Å; F8-I19 HydrophobicContact CD1-CD1 3.68Å; F8-I19 HydrophobicContact CD2-CD1 3.66Å; F8-I19 HydrophobicContact CE1-CD1 3.66Å; F8-I19 HydrophobicContact CE1-CG2 4.02Å; F8-I19 HydrophobicContact CE2-CD1 3.64Å; F8-I19 HydrophobicContact CG-CD1 3.68Å; F8-I19 HydrophobicContact CZ-CD1 3.63Å; F8-I19 HydrophobicContact CZ-CG2 4.05Å; F8-V33 HydrophobicContact CD1-CG1 3.96Å; F8-V33 HydrophobicContact CE1-CG1 3.99Å; F8-V36 HydrophobicContact CD1-CB 4.14Å; F8-V36 HydrophobicContact CD1-CG1 3.63Å; F8-V36 HydrophobicContact CD2-CG1 4.39Å; F8-V36 HydrophobicContact CE1-CB 4.1Å; F8-V36 HydrophobicContact CE1-CG1 3.8Å; F8-V36 HydrophobicContact CG-CG1 3.96Å; F8-V36 HydrophobicContact CZ-CG1 4.27Å; F8-I37 HydrophobicContact CB-CG1 4.12Å; F8-I37 HydrophobicContact CD1-CG1 4.27Å; F8-L133 HydrophobicContact CD2-CD1 4.46Å; F8-L133 HydrophobicContact CE1-CD1 4.42Å; F8-L133 HydrophobicContact CE2-CD1 3.48Å; F8-L133 VanDerWaalsContact CE2-CD1 3.48Å; F8-L133 HydrophobicContact CZ-CD1 3.46Å; F8-L133 VanDerWaalsContact CZ-CD1 3.46Å; F8-I136 HydrophobicContact CE1-CD1 3.69Å; F8-I136 HydrophobicContact CZ-CD1 3.81Å; F8-I136 HydrophobicContact CZ-CG2 4.4Å |
| 9 | R | 95.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | trans | -113.7 | 102.7 | -173.8 | -66.8 | 176.4 | -175.6 | 156.8 | -0.6 | 110.6 | D6 L7 E11 K12 G14 D40 | D6-R9 PolarHBondContact O-N 3.33Å; D6-R9 VanDerWaalsContact O-N 3.09Å; D6-R9 WeakPolarHBondContact OD1-CD 3.32Å; D6-R9 IonicContact OD1-CZ 3.99Å; D6-R9 IonicContact OD1-NE 3.3Å; D6-R9 IonicContact OD1-NH1 3.52Å; D6-R9 PolarHBondContact OD1-NH1 3.04Å; L7-R9 VanDerWaalsContact C-N 3.34Å; R9-E11 PolarHBondContact O-N 3.46Å; R9-K12 HydrophobicContact CB-CB 3.96Å; R9-K12 HydrophobicContact CB-CG 3.93Å; R9-K12 PolarHBondContact O-N 2.94Å; R9-G14 WeakPolarHBondContact O-CA 3.32Å; R9-G14 PolarHBondContact O-N 2.93Å; R9-D40 IonicContact CZ-OD1 3.34Å; R9-D40 IonicContact CZ-OD2 3.96Å; R9-D40 IonicContact NE-OD1 3.13Å; R9-D40 IonicContact NE-OD2 2.69Å; R9-D40 PolarHBondContact NE-OD2 3.21Å; R9-D40 IonicContact NH2-OD1 2.8Å; R9-D40 PolarHBondContact NH2-OD1 3.41Å; R9-D40 IonicContact NH2-OD2 3.23Å; R9-D40 PolarHBondContact NH2-OD2 3.39Å | ||
| 10 | E | 94.9 | Very high | 93.6 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -58.2 | -36.7 | 178 | -66.5 | 179.8 | 174 | 0 | 0 | 112 | K12 G13 P16 | E10-K12 PolarHBondContact O-N 3.24Å; E10-K12 VanDerWaalsContact O-N 3.15Å; E10-G13 PolarHBondContact O-N 3.41Å; E10-P16 HydrophobicContact CG-CG 3.8Å |
| 11 | E | 92.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -68.2 | -12.6 | 178.4 | 75.1 | -78.1 | -175 | 0 | 0 | 114.1 | R9 R44 | R9-E11 PolarHBondContact O-N 3.46Å; E11-R44 IonicContact OE1-CZ 2.58Å; E11-R44 IonicContact OE1-NE 2.65Å; E11-R44 IonicContact OE1-NH1 2.78Å; E11-R44 PolarHBondContact OE1-NH1 2.82Å; E11-R44 IonicContact OE1-NH2 3.36Å; E11-R44 PolarHBondContact OE1-NH2 3.21Å; E11-R44 VanDerWaalsContact OE1-NH2 3.13Å |
| 12 | K | 90.5 | Very high | 94.8 | Very high | 138 Ų | 138 | 48.5 Ų | 48.5 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -100.6 | 5.7 | 173.3 | -66 | -65.1 | -173 | 175.6 | 0 | 112.7 | D6 R9 E10 G14 | D6-K12 HydrophobicContact CB-CB 4.21Å; R9-K12 HydrophobicContact CB-CB 3.96Å; R9-K12 HydrophobicContact CB-CG 3.93Å; R9-K12 PolarHBondContact O-N 2.94Å; E10-K12 PolarHBondContact O-N 3.24Å; E10-K12 VanDerWaalsContact O-N 3.15Å; K12-G14 VanDerWaalsContact C-N 3.31Å |
| 13 | G | 91.5 | Very high | 95.3 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 74% | 0.742 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 6.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E10 | E10-G13 PolarHBondContact O-N 3.41Š|
| 14 | G | 93.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | trans | -65.1 | 159.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D6 L7 R9 K12 | D6-G14 VanDerWaalsContact O-CA 3.28Å; D6-G14 WeakPolarHBondContact O-CA 3.45Å; L7-G14 CarbonylContact O-C 3.6Å; R9-G14 WeakPolarHBondContact O-CA 3.32Å; R9-G14 PolarHBondContact O-N 2.93Å; K12-G14 VanDerWaalsContact C-N 3.31Å | ||
| 15 | N | 96.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -127.8 | 86.5 | 177.2 | -175.4 | -10.3 | 0 | 0 | 0 | 109.6 | L7 E17 L18 | L7-N15 CarbonylContact O-C 3.6Å; L7-N15 PolarHBondContact O-N 3.45Å; N15-E17 PolarHBondContact O-N 3.19Å; N15-E17 VanDerWaalsContact O-N 3.17Å; N15-E17 WeakPolarHBondContact OD1-CB 3.45Å; N15-E17 PolarHBondContact OD1-N 2.87Å; N15-L18 HydrophobicContact CB-CB 4.05Å; N15-L18 WeakPolarHBondContact O-CB 3.17Å; N15-L18 PolarHBondContact O-N 3.45Å; N15-L18 VanDerWaalsContact O-N 3.09Å; N15-L18 PolarHBondContact OD1-N 3.32Å; N15-L18 VanDerWaalsContact OD1-N 3.13Å | ||
| 16 | P | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.7 | -32.1 | 177.5 | -28.7 | 37.3 | 0 | 0 | 0 | 113.4 | F8 E10 L18 I19 R20 I37 | F8-P16 WeakPolarHBondContact O-CG 3.38Å; E10-P16 HydrophobicContact CG-CG 3.8Å; P16-L18 VanDerWaalsContact C-N 3.32Å; P16-L18 PolarHBondContact O-N 3.33Å; P16-I19 WeakPolarHBondContact O-CB 3.34Å; P16-I19 PolarHBondContact O-N 2.92Å; P16-I19 VanDerWaalsContact O-N 3.1Å; P16-R20 WeakPolarHBondContact O-CG 3.41Å; P16-R20 PolarHBondContact O-N 3.41Å; P16-I37 HydrophobicContact CB-CD1 3.88Å; P16-I37 HydrophobicContact CG-CD1 4.24Å |
| 17 | E | 97.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -32.3 | -179.8 | -167.8 | 52.6 | -141.6 | 0 | 0 | 112.5 | N15 I19 R20 D21 R24 | N15-E17 PolarHBondContact O-N 3.19Å; N15-E17 VanDerWaalsContact O-N 3.17Å; N15-E17 WeakPolarHBondContact OD1-CB 3.45Å; N15-E17 PolarHBondContact OD1-N 2.87Å; E17-I19 VanDerWaalsContact C-N 3.27Å; E17-I19 PolarHBondContact O-N 3.1Å; E17-R20 PolarHBondContact O-N 3.37Å; E17-R20 WeakPolarHBondContact OE2-CD 3.12Å; E17-R20 IonicContact OE2-NH1 3.12Å; E17-R20 PolarHBondContact OE2-NH1 3.17Å; E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 3.48Å; E17-R24 IonicContact OE1-CZ 3.86Å; E17-R24 VanDerWaalsContact OE1-CZ 3.32Å; E17-R24 IonicContact OE1-NH1 2.8Å; E17-R24 PolarHBondContact OE1-NH1 3.2Å; E17-R24 IonicContact OE1-NH2 2.68Å; E17-R24 PolarHBondContact OE1-NH2 3.38Å |
| 18 | L | 97 | Very high | 96.2 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 170.5 | -179.4 | 65.6 | 0 | 0 | 0 | 111.5 | N15 P16 D21 S22 I139 | N15-L18 HydrophobicContact CB-CB 4.05Å; N15-L18 WeakPolarHBondContact O-CB 3.17Å; N15-L18 PolarHBondContact O-N 3.45Å; N15-L18 VanDerWaalsContact O-N 3.09Å; N15-L18 PolarHBondContact OD1-N 3.32Å; N15-L18 VanDerWaalsContact OD1-N 3.13Å; P16-L18 VanDerWaalsContact C-N 3.32Å; P16-L18 PolarHBondContact O-N 3.33Å; L18-D21 PolarHBondContact O-N 3.13Å; L18-S22 PolarHBondContact O-N 3.35Å; L18-I139 HydrophobicContact CD1-CG2 4.47Å; L18-I139 HydrophobicContact CD2-CG2 4.39Å; L18-I139 HydrophobicContact CG-CG2 4.34Å |
| 19 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -43.6 | 178.1 | -48.2 | 177.5 | 0 | 0 | 0 | 110.2 | L3 L7 F8 P16 E17 D21 S22 Q23 V33 I136 I139 | L3-I19 HydrophobicContact CD1-CG2 3.92Å; L7-I19 HydrophobicContact CB-CD1 3.86Å; F8-I19 HydrophobicContact CD1-CD1 3.68Å; F8-I19 HydrophobicContact CD2-CD1 3.66Å; F8-I19 HydrophobicContact CE1-CD1 3.66Å; F8-I19 HydrophobicContact CE1-CG2 4.02Å; F8-I19 HydrophobicContact CE2-CD1 3.64Å; F8-I19 HydrophobicContact CG-CD1 3.68Å; F8-I19 HydrophobicContact CZ-CD1 3.63Å; F8-I19 HydrophobicContact CZ-CG2 4.05Å; P16-I19 WeakPolarHBondContact O-CB 3.34Å; P16-I19 PolarHBondContact O-N 2.92Å; P16-I19 VanDerWaalsContact O-N 3.1Å; E17-I19 VanDerWaalsContact C-N 3.27Å; E17-I19 PolarHBondContact O-N 3.1Å; I19-D21 VanDerWaalsContact C-N 3.3Å; I19-D21 PolarHBondContact O-N 3.38Å; I19-S22 PolarHBondContact O-N 3.15Å; I19-Q23 WeakPolarHBondContact O-CG 3.46Å; I19-Q23 PolarHBondContact O-N 3.13Å; I19-V33 HydrophobicContact CB-CG1 4.38Å; I19-V33 HydrophobicContact CB-CG2 4.42Å; I19-V33 HydrophobicContact CG2-CG1 4.45Å; I19-V33 HydrophobicContact CG2-CG2 3.87Å; I19-I136 HydrophobicContact CG2-CG2 3.76Å; I19-I139 HydrophobicContact CG1-CD1 4.23Å |
| 20 | R | 98.2 | Very high | 96.3 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.6 | -66.1 | -166.7 | -168.9 | 86.3 | 5.3 | 111.4 | P16 E17 Q23 R24 V30 V33 D34 | P16-R20 WeakPolarHBondContact O-CG 3.41Å; P16-R20 PolarHBondContact O-N 3.41Å; E17-R20 PolarHBondContact O-N 3.37Å; E17-R20 WeakPolarHBondContact OE2-CD 3.12Å; E17-R20 IonicContact OE2-NH1 3.12Å; E17-R20 PolarHBondContact OE2-NH1 3.17Å; R20-Q23 PolarHBondContact O-N 2.91Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 2.99Å; R20-V30 HydrophobicContact CB-CG1 3.71Å; R20-V30 HydrophobicContact CG-CG1 3.68Å; R20-V33 HydrophobicContact CG-CB 3.93Å; R20-V33 HydrophobicContact CG-CG1 3.78Å; R20-V33 HydrophobicContact CG-CG2 4.07Å; R20-D34 IonicContact CZ-OD1 3.96Å; R20-D34 VanDerWaalsContact CZ-OD1 3.24Å; R20-D34 IonicContact NE-OD1 2.7Å; R20-D34 PolarHBondContact NE-OD1 3.4Å; R20-D34 IonicContact NH2-OD1 3.25Å; R20-D34 PolarHBondContact NH2-OD1 3.15Å |
| 21 | D | 97.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.4 | -170.9 | 60.8 | 0 | 0 | 0 | 112.4 | E17 L18 I19 Q23 R24 K25 | E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 3.48Å; L18-D21 PolarHBondContact O-N 3.13Å; I19-D21 VanDerWaalsContact C-N 3.3Å; I19-D21 PolarHBondContact O-N 3.38Å; D21-Q23 PolarHBondContact O-N 3.5Å; D21-R24 PolarHBondContact O-N 3.48Å; D21-R24 IonicContact OD1-NH2 3.62Å; D21-R24 PolarHBondContact OD1-NH2 3.41Å; D21-K25 WeakPolarHBondContact O-CG 3.43Å; D21-K25 PolarHBondContact O-N 2.96Å; D21-K25 WeakPolarHBondContact OD2-CE 3.49Å; D21-K25 IonicContact OD2-NZ 3.49Å; D21-K25 PolarHBondContact OD2-NZ 3.45Å |
| 22 | S | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 173.1 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | L18 I19 R24 K25 R26 N138 I140 | L18-S22 PolarHBondContact O-N 3.35Å; I19-S22 PolarHBondContact O-N 3.15Å; S22-R24 PolarHBondContact O-N 2.88Å; S22-K25 PolarHBondContact O-N 3.27Å; S22-R26 WeakPolarHBondContact O-CG 3.38Å; S22-R26 PolarHBondContact O-N 3.36Å; S22-N138 PolarHBondContact OG-O 3.37Å; S22-I140 PolarHBondContact OG-N 3.27Å |
| 23 | Q | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.2 | -76.4 | -69.3 | 110.8 | 0 | 0 | 112.6 | I19 R20 D21 R26 Y27 K28 D29 V30 V33 I136 G137 | I19-Q23 WeakPolarHBondContact O-CG 3.46Å; I19-Q23 PolarHBondContact O-N 3.13Å; R20-Q23 PolarHBondContact O-N 2.91Å; D21-Q23 PolarHBondContact O-N 3.5Å; Q23-R26 CarbonylContact O-C 3.56Å; Q23-R26 PolarHBondContact O-N 3.18Å; Q23-Y27 PolarHBondContact O-N 3.12Å; Q23-K28 PolarHBondContact O-N 2.97Å; Q23-D29 PolarHBondContact NE2-O 3.27Å; Q23-D29 VanDerWaalsContact NE2-O 3.08Å; Q23-V30 HydrophobicContact CB-CG2 4.38Å; Q23-V33 HydrophobicContact CG-CG2 4Å; Q23-I136 HydrophobicContact CG-CG2 4.1Å; Q23-G137 VanDerWaalsContact OE1-N 3.09Å |
| 24 | R | 98 | Very high | 97.2 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.6 | -74.1 | -175.9 | -63.4 | -100.8 | 2.6 | 111.5 | E17 R20 D21 S22 R26 Y27 V30 | E17-R24 IonicContact OE1-CZ 3.86Å; E17-R24 VanDerWaalsContact OE1-CZ 3.32Å; E17-R24 IonicContact OE1-NH1 2.8Å; E17-R24 PolarHBondContact OE1-NH1 3.2Å; E17-R24 IonicContact OE1-NH2 2.68Å; E17-R24 PolarHBondContact OE1-NH2 3.38Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 2.99Å; D21-R24 PolarHBondContact O-N 3.48Å; D21-R24 IonicContact OD1-NH2 3.62Å; D21-R24 PolarHBondContact OD1-NH2 3.41Å; S22-R24 PolarHBondContact O-N 2.88Å; R24-R26 VanDerWaalsContact C-N 3.26Å; R24-R26 PolarHBondContact O-N 3.17Å; R24-Y27 PolarHBondContact O-N 2.81Å; R24-V30 HydrophobicContact CB-CG2 4.46Å; R24-V30 HydrophobicContact CG-CG2 3.33Å |
| 25 | K | 98 | Very high | 97.5 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -31.6 | 177.6 | -72.8 | 170.3 | 173.7 | 165.6 | 0 | 112.2 | D21 S22 Y27 I140 V146 S366 | D21-K25 WeakPolarHBondContact O-CG 3.43Å; D21-K25 PolarHBondContact O-N 2.96Å; D21-K25 WeakPolarHBondContact OD2-CE 3.49Å; D21-K25 IonicContact OD2-NZ 3.49Å; D21-K25 PolarHBondContact OD2-NZ 3.45Å; S22-K25 PolarHBondContact O-N 3.27Å; K25-Y27 VanDerWaalsContact O-CD2 3.23Å; K25-Y27 WeakPolarHBondContact O-CD2 3.5Å; K25-Y27 WeakPolarHBondContact O-CE2 3.5Å; K25-Y27 PolarHBondContact O-N 3.2Å; K25-I140 HydrophobicContact CB-CD1 3.51Å; K25-V146 HydrophobicContact CB-CG1 4.18Å; K25-V146 HydrophobicContact CB-CG2 4.33Å; K25-V146 HydrophobicContact CD-CG2 4.15Å; K25-V146 HydrophobicContact CG-CG1 4.05Å; K25-V146 HydrophobicContact CG-CG2 3.97Å; K25-S366 WeakPolarHBondContact O-CB 3.35Å; K25-S366 PolarHBondContact O-OG 2.83Å |
| 26 | R | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.3 | 173.1 | -67.1 | -177.9 | 176 | -89.9 | -1.6 | 114.2 | S22 Q23 R24 K28 N138 I140 L369 N370 A373 | S22-R26 WeakPolarHBondContact O-CG 3.38Å; S22-R26 PolarHBondContact O-N 3.36Å; Q23-R26 CarbonylContact O-C 3.56Å; Q23-R26 PolarHBondContact O-N 3.18Å; R24-R26 VanDerWaalsContact C-N 3.26Å; R24-R26 PolarHBondContact O-N 3.17Å; R26-K28 HydrophobicContact CB-CB 4.45Å; R26-K28 HydrophobicContact CB-CG 3.84Å; R26-K28 WeakPolarHBondContact O-CG 3.47Å; R26-K28 PolarHBondContact O-N 3.26Å; R26-N138 PolarHBondContact NE-O 2.84Å; R26-N138 PolarHBondContact NH2-O 3.33Å; R26-I140 HydrophobicContact CB-CD1 4.47Å; R26-I140 HydrophobicContact CG-CD1 3.4Å; R26-I140 HydrophobicContact CG-CG1 3.97Å; R26-L369 VanDerWaalsContact NH1-CB 3.28Å; R26-L369 PolarHBondContact NH1-O 2.98Å; R26-N370 PolarHBondContact NH1-O 3.37Å; R26-A373 PolarHBondContact NH2-O 2.89Å |
| 27 | Y | 97.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.3 | -173.9 | -59.4 | -98.6 | 0 | 0 | 0 | 112.5 | Q23 R24 K25 V146 S147 D148 | Q23-Y27 PolarHBondContact O-N 3.12Å; R24-Y27 PolarHBondContact O-N 2.81Å; K25-Y27 VanDerWaalsContact O-CD2 3.23Å; K25-Y27 WeakPolarHBondContact O-CD2 3.5Å; K25-Y27 WeakPolarHBondContact O-CE2 3.5Å; K25-Y27 PolarHBondContact O-N 3.2Å; Y27-V146 HydrophobicContact CE2-CG1 4.4Å; Y27-S147 WeakPolarHBondContact CE2-O 3.17Å; Y27-S147 WeakPolarHBondContact OH-CA 3.31Å; Y27-D148 HydrophobicContact CD1-CB 3.72Å; Y27-D148 HydrophobicContact CD2-CB 3.65Å; Y27-D148 HydrophobicContact CE1-CB 3.82Å; Y27-D148 HydrophobicContact CE2-CB 3.8Å; Y27-D148 VanDerWaalsContact CE2-N 3.34Å; Y27-D148 HydrophobicContact CG-CB 3.62Å |
| 28 | K | 96.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | trans | -111.1 | 164.5 | 178.4 | -58.2 | -54.8 | 175.6 | -164.4 | 0 | 111.4 | Q23 R26 V30 | Q23-K28 PolarHBondContact O-N 2.97Å; R26-K28 HydrophobicContact CB-CB 4.45Å; R26-K28 HydrophobicContact CB-CG 3.84Å; R26-K28 WeakPolarHBondContact O-CG 3.47Å; R26-K28 PolarHBondContact O-N 3.26Å; K28-V30 PolarHBondContact O-N 2.9Å | ||
| 29 | D | 96.7 | Very high | 97.6 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | trans | -64.9 | 120.5 | -178.5 | -175 | 10.5 | 0 | 0 | 0 | 111.6 | Q23 K31 L32 | Q23-D29 PolarHBondContact NE2-O 3.27Å; Q23-D29 VanDerWaalsContact NE2-O 3.08Å; D29-K31 VanDerWaalsContact C-N 3.35Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 2.97Å; D29-L32 HydrophobicContact CB-CD1 4.21Å; D29-L32 HydrophobicContact CB-CG 4.11Å | ||
| 30 | V | 97.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -75.5 | -28 | 178 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | R20 Q23 R24 K28 L32 V33 | R20-V30 HydrophobicContact CB-CG1 3.71Å; R20-V30 HydrophobicContact CG-CG1 3.68Å; Q23-V30 HydrophobicContact CB-CG2 4.38Å; R24-V30 HydrophobicContact CB-CG2 4.46Å; R24-V30 HydrophobicContact CG-CG2 3.33Å; K28-V30 PolarHBondContact O-N 2.9Å; V30-L32 PolarHBondContact O-N 2.8Å; V30-L32 VanDerWaalsContact O-N 3.11Å; V30-V33 WeakPolarHBondContact O-CB 3.3Å; V30-V33 PolarHBondContact O-N 3.11Å |
| 31 | K | 97.5 | Very high | 97.6 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 54% | 0.535 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -26.6 | 179.7 | -173.5 | -175 | 172.2 | -174.5 | 0 | 111.9 | D29 V33 D34 D35 | D29-K31 VanDerWaalsContact C-N 3.35Å; D29-K31 WeakPolarHBondContact OD1-CB 3.44Å; D29-K31 PolarHBondContact OD1-N 2.97Å; K31-V33 PolarHBondContact O-N 3.04Å; K31-D34 PolarHBondContact O-N 2.89Å; K31-D35 PolarHBondContact O-N 3.45Å |
| 32 | L | 97.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.1 | -35.4 | 173.5 | -64.9 | 175.4 | 0 | 0 | 0 | 112.4 | D29 V30 V36 K132 Q135 I136 | D29-L32 HydrophobicContact CB-CD1 4.21Å; D29-L32 HydrophobicContact CB-CG 4.11Å; V30-L32 PolarHBondContact O-N 2.8Å; V30-L32 VanDerWaalsContact O-N 3.11Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.4Å; L32-V36 PolarHBondContact O-N 3.08Å; L32-K132 HydrophobicContact CD2-CD 3.77Å; L32-Q135 HydrophobicContact CD1-CB 3.77Å; L32-I136 HydrophobicContact CB-CD1 4.12Å; L32-I136 HydrophobicContact CB-CG1 3.96Å |
| 33 | V | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 177 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | F8 I19 R20 Q23 V30 K31 V36 I37 I136 | F8-V33 HydrophobicContact CD1-CG1 3.96Å; F8-V33 HydrophobicContact CE1-CG1 3.99Å; I19-V33 HydrophobicContact CB-CG1 4.38Å; I19-V33 HydrophobicContact CB-CG2 4.42Å; I19-V33 HydrophobicContact CG2-CG1 4.45Å; I19-V33 HydrophobicContact CG2-CG2 3.87Å; R20-V33 HydrophobicContact CG-CB 3.93Å; R20-V33 HydrophobicContact CG-CG1 3.78Å; R20-V33 HydrophobicContact CG-CG2 4.07Å; Q23-V33 HydrophobicContact CG-CG2 4Å; V30-V33 WeakPolarHBondContact O-CB 3.3Å; V30-V33 PolarHBondContact O-N 3.11Å; K31-V33 PolarHBondContact O-N 3.04Å; V33-V36 PolarHBondContact O-N 3.45Å; V33-I37 HydrophobicContact CG1-CD1 4.01Å; V33-I37 WeakPolarHBondContact O-CD1 3.01Å; V33-I37 VanDerWaalsContact O-CG1 3.28Å; V33-I37 WeakPolarHBondContact O-CG1 3.38Å; V33-I37 PolarHBondContact O-N 3.32Å; V33-I136 HydrophobicContact CG2-CD1 4.22Å |
| 34 | D | 97.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 179.6 | -58.3 | -36.1 | 0 | 0 | 0 | 111.6 | R20 K31 V36 I37 D38 | R20-D34 IonicContact CZ-OD1 3.96Å; R20-D34 VanDerWaalsContact CZ-OD1 3.24Å; R20-D34 IonicContact NE-OD1 2.7Å; R20-D34 PolarHBondContact NE-OD1 3.4Å; R20-D34 IonicContact NH2-OD1 3.25Å; R20-D34 PolarHBondContact NH2-OD1 3.15Å; K31-D34 PolarHBondContact O-N 2.89Å; D34-V36 VanDerWaalsContact C-N 3.34Å; D34-V36 PolarHBondContact O-N 3.22Å; D34-I37 PolarHBondContact O-N 3.11Å; D34-D38 PolarHBondContact O-N 3.23Å |
| 35 | D | 97.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 173.2 | -74.8 | -4.9 | 0 | 0 | 0 | 110.7 | K31 I37 D38 Y39 K132 | K31-D35 PolarHBondContact O-N 3.45Å; D35-I37 VanDerWaalsContact C-N 3.34Å; D35-I37 PolarHBondContact O-N 2.78Å; D35-D38 PolarHBondContact O-N 2.94Å; D35-Y39 HydrophobicContact CB-CD2 4.48Å; D35-Y39 HydrophobicContact CB-CE2 4.24Å; D35-Y39 WeakPolarHBondContact O-CD2 3.5Å; D35-Y39 PolarHBondContact O-N 2.98Å; D35-K132 HydrophobicContact CB-CD 4.22Å; D35-K132 HydrophobicContact CB-CG 4Å; D35-K132 VanDerWaalsContact OD2-CE 3.25Å; D35-K132 WeakPolarHBondContact OD2-CE 3.3Å; D35-K132 IonicContact OD2-NZ 3.68Å; D35-K132 PolarHBondContact OD2-NZ 3.27Å |
| 36 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 177 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | I5 F8 L32 V33 D34 D40 R129 K132 L133 I136 | I5-V36 HydrophobicContact CD1-CG1 3.97Å; F8-V36 HydrophobicContact CD1-CB 4.14Å; F8-V36 HydrophobicContact CD1-CG1 3.63Å; F8-V36 HydrophobicContact CD2-CG1 4.39Å; F8-V36 HydrophobicContact CE1-CB 4.1Å; F8-V36 HydrophobicContact CE1-CG1 3.8Å; F8-V36 HydrophobicContact CG-CG1 3.96Å; F8-V36 HydrophobicContact CZ-CG1 4.27Å; L32-V36 VanDerWaalsContact O-CG2 3.28Å; L32-V36 WeakPolarHBondContact O-CG2 3.4Å; L32-V36 PolarHBondContact O-N 3.08Å; V33-V36 PolarHBondContact O-N 3.45Å; D34-V36 VanDerWaalsContact C-N 3.34Å; D34-V36 PolarHBondContact O-N 3.22Å; V36-D40 VanDerWaalsContact O-CB 3.25Å; V36-D40 WeakPolarHBondContact O-CB 3.29Å; V36-D40 PolarHBondContact O-N 3.25Å; V36-R129 HydrophobicContact CG1-CG 4.21Å; V36-K132 HydrophobicContact CG2-CB 3.58Å; V36-L133 HydrophobicContact CG1-CD1 4.36Å; V36-L133 HydrophobicContact CG2-CB 4.15Å; V36-L133 HydrophobicContact CG2-CD1 4.46Å; V36-I136 HydrophobicContact CG2-CD1 3.87Å |
| 37 | I | 97.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 65 Ų | 65 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 179.2 | -67.7 | 163.7 | 0 | 0 | 0 | 110.8 | F8 P16 V33 D34 D35 D40 Q41 | F8-I37 HydrophobicContact CB-CG1 4.12Å; F8-I37 HydrophobicContact CD1-CG1 4.27Å; P16-I37 HydrophobicContact CB-CD1 3.88Å; P16-I37 HydrophobicContact CG-CD1 4.24Å; V33-I37 HydrophobicContact CG1-CD1 4.01Å; V33-I37 WeakPolarHBondContact O-CD1 3.01Å; V33-I37 VanDerWaalsContact O-CG1 3.28Å; V33-I37 WeakPolarHBondContact O-CG1 3.38Å; V33-I37 PolarHBondContact O-N 3.32Å; D34-I37 PolarHBondContact O-N 3.11Å; D35-I37 VanDerWaalsContact C-N 3.34Å; D35-I37 PolarHBondContact O-N 2.78Å; I37-D40 PolarHBondContact O-N 2.92Å; I37-Q41 HydrophobicContact CG2-CG 4.26Å; I37-Q41 WeakPolarHBondContact O-CB 3.35Å; I37-Q41 VanDerWaalsContact O-CG 3.29Å; I37-Q41 WeakPolarHBondContact O-CG 3.43Å; I37-Q41 PolarHBondContact O-N 3.21Å |
| 38 | D | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -51.7 | 177.4 | 176.9 | 70 | 0 | 0 | 0 | 111.3 | D34 D35 D40 Q41 R42 | D34-D38 PolarHBondContact O-N 3.23Å; D35-D38 PolarHBondContact O-N 2.94Å; D38-D40 VanDerWaalsContact C-N 3.3Å; D38-D40 PolarHBondContact O-N 3.3Å; D38-Q41 PolarHBondContact O-N 3.45Å; D38-R42 WeakPolarHBondContact O-CB 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.18Å; D38-R42 PolarHBondContact O-N 3.18Å; D38-R42 WeakPolarHBondContact OD2-CD 3.31Å; D38-R42 IonicContact OD2-NH1 3.89Å |
| 39 | Y | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 179.5 | -69.2 | -51.5 | 0 | 0 | 0 | 111.8 | D35 W43 L125 N128 K132 | D35-Y39 HydrophobicContact CB-CD2 4.48Å; D35-Y39 HydrophobicContact CB-CE2 4.24Å; D35-Y39 WeakPolarHBondContact O-CD2 3.5Å; D35-Y39 PolarHBondContact O-N 2.98Å; Y39-W43 WeakPolarHBondContact O-CB 3.36Å; Y39-W43 PolarHBondContact O-N 3.44Å; Y39-L125 HydrophobicContact CD1-CD2 3.76Å; Y39-L125 HydrophobicContact CE1-CD2 4.47Å; Y39-N128 HydrophobicContact CD1-CB 3.98Å; Y39-N128 HydrophobicContact CD2-CB 4.07Å; Y39-N128 HydrophobicContact CE1-CB 3.82Å; Y39-N128 HydrophobicContact CE2-CB 3.91Å; Y39-N128 HydrophobicContact CG-CB 4.12Å; Y39-K132 HydrophobicContact CD2-CG 4.27Å; Y39-K132 HydrophobicContact CE2-CG 4Å |
| 40 | D | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 176.6 | -172.8 | 71.7 | 0 | 0 | 0 | 112.9 | I5 R9 V36 I37 D38 W43 R44 R129 | I5-D40 HydrophobicContact CD1-CB 4.27Å; R9-D40 IonicContact CZ-OD1 3.34Å; R9-D40 IonicContact CZ-OD2 3.96Å; R9-D40 IonicContact NE-OD1 3.13Å; R9-D40 IonicContact NE-OD2 2.69Å; R9-D40 PolarHBondContact NE-OD2 3.21Å; R9-D40 IonicContact NH2-OD1 2.8Å; R9-D40 PolarHBondContact NH2-OD1 3.41Å; R9-D40 IonicContact NH2-OD2 3.23Å; R9-D40 PolarHBondContact NH2-OD2 3.39Å; V36-D40 VanDerWaalsContact O-CB 3.25Å; V36-D40 WeakPolarHBondContact O-CB 3.29Å; V36-D40 PolarHBondContact O-N 3.25Å; I37-D40 PolarHBondContact O-N 2.92Å; D38-D40 VanDerWaalsContact C-N 3.3Å; D38-D40 PolarHBondContact O-N 3.3Å; D40-W43 PolarHBondContact O-N 3.39Å; D40-R44 WeakPolarHBondContact O-CB 3.36Å; D40-R44 WeakPolarHBondContact O-CG 3.37Å; D40-R44 PolarHBondContact O-N 3.09Å; D40-R44 IonicContact OD2-CZ 3.49Å; D40-R44 IonicContact OD2-NE 2.63Å; D40-R44 PolarHBondContact OD2-NE 3.43Å; D40-R44 IonicContact OD2-NH2 3.08Å; D40-R44 PolarHBondContact OD2-NH2 2.93Å; D40-R129 IonicContact OD1-CZ 2.81Å; D40-R129 IonicContact OD1-NH1 2.77Å; D40-R129 PolarHBondContact OD1-NH1 3.44Å |
| 41 | Q | 97.3 | Very high | 97 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.4 | -76.5 | 178.7 | -0.9 | 0 | 0 | 111.5 | I37 D38 W43 R44 K45 | I37-Q41 HydrophobicContact CG2-CG 4.26Å; I37-Q41 WeakPolarHBondContact O-CB 3.35Å; I37-Q41 VanDerWaalsContact O-CG 3.29Å; I37-Q41 WeakPolarHBondContact O-CG 3.43Å; I37-Q41 PolarHBondContact O-N 3.21Å; D38-Q41 PolarHBondContact O-N 3.45Å; Q41-W43 VanDerWaalsContact C-N 3.34Å; Q41-W43 PolarHBondContact O-N 2.86Å; Q41-R44 PolarHBondContact O-N 3.33Å; Q41-K45 PolarHBondContact O-N 2.93Å |
| 42 | R | 97.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.9 | -69.8 | 172 | 58.6 | -178 | -0.7 | 111.6 | D38 K45 H46 L125 | D38-R42 WeakPolarHBondContact O-CB 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.18Å; D38-R42 PolarHBondContact O-N 3.18Å; D38-R42 WeakPolarHBondContact OD2-CD 3.31Å; D38-R42 IonicContact OD2-NH1 3.89Å; R42-K45 PolarHBondContact O-N 3.31Å; R42-H46 PolarHBondContact O-N 3.29Å; R42-L125 HydrophobicContact CB-CD1 3.81Å; R42-L125 HydrophobicContact CB-CD2 4.11Å |
| 43 | W | 98.1 | Very high | 96.7 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.7 | 178.2 | 93.8 | 0 | 0 | 0 | 111.3 | Y39 D40 Q41 K45 H46 R47 M122 L125 | Y39-W43 WeakPolarHBondContact O-CB 3.36Å; Y39-W43 PolarHBondContact O-N 3.44Å; D40-W43 PolarHBondContact O-N 3.39Å; Q41-W43 VanDerWaalsContact C-N 3.34Å; Q41-W43 PolarHBondContact O-N 2.86Å; W43-K45 PolarHBondContact O-N 2.99Å; W43-H46 PolarHBondContact O-N 2.89Å; W43-R47 WeakPolarHBondContact O-CB 3.36Å; W43-R47 PolarHBondContact O-N 3.45Å; W43-M122 VanDerWaalsContact CD1-O 3.28Å; W43-M122 HydrophobicContact CZ2-CE 4.16Å; W43-L125 HydrophobicContact CB-CB 4.12Å; W43-L125 HydrophobicContact CB-CD1 4.3Å |
| 44 | R | 96.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 57 Ų | 57 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.6 | -76.7 | -172 | -75.3 | 133.8 | -6.4 | 112.4 | E11 D40 Q41 R47 F48 | E11-R44 IonicContact OE1-CZ 2.58Å; E11-R44 IonicContact OE1-NE 2.65Å; E11-R44 IonicContact OE1-NH1 2.78Å; E11-R44 PolarHBondContact OE1-NH1 2.82Å; E11-R44 IonicContact OE1-NH2 3.36Å; E11-R44 PolarHBondContact OE1-NH2 3.21Å; E11-R44 VanDerWaalsContact OE1-NH2 3.13Å; D40-R44 WeakPolarHBondContact O-CB 3.36Å; D40-R44 WeakPolarHBondContact O-CG 3.37Å; D40-R44 PolarHBondContact O-N 3.09Å; D40-R44 IonicContact OD2-CZ 3.49Å; D40-R44 IonicContact OD2-NE 2.63Å; D40-R44 PolarHBondContact OD2-NE 3.43Å; D40-R44 IonicContact OD2-NH2 3.08Å; D40-R44 PolarHBondContact OD2-NH2 2.93Å; Q41-R44 PolarHBondContact O-N 3.33Å; R44-R47 WeakPolarHBondContact O-CB 3.41Å; R44-R47 PolarHBondContact O-N 3.43Å; R44-F48 PolarHBondContact O-N 3.08Å |
| 45 | K | 96.1 | Very high | 96.5 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.9 | -48.3 | 173.8 | -175.3 | 179.8 | 179.5 | -179.9 | 0 | 111.3 | Q41 R42 W43 R47 F48 S49 | Q41-K45 PolarHBondContact O-N 2.93Å; R42-K45 PolarHBondContact O-N 3.31Å; W43-K45 PolarHBondContact O-N 2.99Å; K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 3.49Å; K45-F48 WeakPolarHBondContact O-CB 3.4Å; K45-F48 PolarHBondContact O-N 3.23Å; K45-S49 PolarHBondContact O-N 2.95Å; K45-S49 PolarHBondContact O-OG 3.09Å |
| 46 | H | 96.5 | Very high | 96.3 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 176 | -76.6 | -28.5 | 0 | 0 | 0 | 112.9 | R42 W43 F48 S49 A50 I118 M122 L125 | R42-H46 PolarHBondContact O-N 3.29Å; W43-H46 PolarHBondContact O-N 2.89Å; H46-F48 VanDerWaalsContact C-N 3.35Å; H46-F48 PolarHBondContact O-N 3.35Å; H46-S49 PolarHBondContact O-N 3.3Å; H46-A50 WeakPolarHBondContact O-CB 3.41Å; H46-A50 PolarHBondContact O-N 3.18Å; H46-I118 HydrophobicContact CB-CG2 3.89Å; H46-I118 WeakPolarHBondContact O-CG2 3.39Å; H46-M122 HydrophobicContact CB-CG 3.51Å; H46-M122 HydrophobicContact CB-SD 4.19Å; H46-L125 VanDerWaalsContact CD2-CD1 3.48Å; H46-L125 WeakPolarHBondContact CD2-CD1 3.39Å |
| 47 | R | 96.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 173 | 179.4 | 63.2 | -165.9 | -161.6 | 1 | 111.7 | W43 R44 K45 A50 D51 M122 | W43-R47 WeakPolarHBondContact O-CB 3.36Å; W43-R47 PolarHBondContact O-N 3.45Å; R44-R47 WeakPolarHBondContact O-CB 3.41Å; R44-R47 PolarHBondContact O-N 3.43Å; K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 3.49Å; R47-A50 PolarHBondContact O-N 3.17Å; R47-D51 IonicContact CZ-OD1 2.73Å; R47-D51 IonicContact CZ-OD2 3.27Å; R47-D51 IonicContact NE-OD1 3.24Å; R47-D51 PolarHBondContact NE-OD1 2.99Å; R47-D51 IonicContact NE-OD2 2.64Å; R47-D51 PolarHBondContact NE-OD2 3.03Å; R47-D51 IonicContact NH2-OD1 3.6Å; R47-D51 PolarHBondContact NH2-OD1 3.46Å; R47-D51 IonicContact NH2-OD2 2.89Å; R47-D51 PolarHBondContact O-N 3.34Å; R47-M122 HydrophobicContact CB-CE 3.86Å; R47-M122 HydrophobicContact CG-CE 4.37Å |
| 48 | F | 95.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.4 | -46.6 | 176.4 | 179.2 | -100 | 0 | 0 | 0 | 112.1 | R44 K45 H46 A50 D51 N52 | R44-F48 PolarHBondContact O-N 3.08Å; K45-F48 WeakPolarHBondContact O-CB 3.4Å; K45-F48 PolarHBondContact O-N 3.23Å; H46-F48 VanDerWaalsContact C-N 3.35Å; H46-F48 PolarHBondContact O-N 3.35Å; F48-A50 VanDerWaalsContact C-N 3.35Å; F48-A50 PolarHBondContact O-N 3.49Å; F48-D51 PolarHBondContact O-N 3.3Å; F48-N52 WeakPolarHBondContact CD1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.5Å; F48-N52 PolarHBondContact O-N 3.49Å; F48-N52 PolarHBondContact O-ND2 3.21Å |
| 49 | S | 94.7 | Very high | 96 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | K45 H46 D51 N52 F53 E89 | K45-S49 PolarHBondContact O-N 2.95Å; K45-S49 PolarHBondContact O-OG 3.09Å; H46-S49 PolarHBondContact O-N 3.3Å; S49-D51 PolarHBondContact O-N 2.91Å; S49-N52 PolarHBondContact O-N 3.27Å; S49-F53 WeakPolarHBondContact O-CG 3.47Å; S49-F53 PolarHBondContact O-N 3.5Å; S49-E89 WeakPolarHBondContact CB-OE1 3.04Å; S49-E89 PolarHBondContact OG-OE1 3.21Å |
| 50 | A | 95.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H46 R47 F48 F53 N54 L115 I118 M122 | H46-A50 WeakPolarHBondContact O-CB 3.41Å; H46-A50 PolarHBondContact O-N 3.18Å; R47-A50 PolarHBondContact O-N 3.17Å; F48-A50 VanDerWaalsContact C-N 3.35Å; F48-A50 PolarHBondContact O-N 3.49Å; A50-F53 PolarHBondContact O-N 3.18Å; A50-N54 PolarHBondContact O-N 2.93Å; A50-N54 PolarHBondContact O-ND2 3.48Å; A50-L115 HydrophobicContact CB-CD1 3.88Å; A50-I118 HydrophobicContact CB-CG2 4.06Å; A50-M122 HydrophobicContact CB-SD 4.29Å |
| 51 | D | 95.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.3 | -70 | -27.2 | 0 | 0 | 0 | 111 | R47 F48 S49 N54 R55 | R47-D51 IonicContact CZ-OD1 2.73Å; R47-D51 IonicContact CZ-OD2 3.27Å; R47-D51 IonicContact NE-OD1 3.24Å; R47-D51 PolarHBondContact NE-OD1 2.99Å; R47-D51 IonicContact NE-OD2 2.64Å; R47-D51 PolarHBondContact NE-OD2 3.03Å; R47-D51 IonicContact NH2-OD1 3.6Å; R47-D51 PolarHBondContact NH2-OD1 3.46Å; R47-D51 IonicContact NH2-OD2 2.89Å; R47-D51 PolarHBondContact O-N 3.34Å; F48-D51 PolarHBondContact O-N 3.3Å; S49-D51 PolarHBondContact O-N 2.91Å; D51-N54 PolarHBondContact O-N 3.36Å; D51-R55 PolarHBondContact O-N 3.28Å |
| 52 | N | 94.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.2 | -72.5 | -25.2 | 0 | 0 | 0 | 112.7 | F48 S49 R55 L56 E89 | F48-N52 WeakPolarHBondContact CD1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.5Å; F48-N52 PolarHBondContact O-N 3.49Å; F48-N52 PolarHBondContact O-ND2 3.21Å; S49-N52 PolarHBondContact O-N 3.27Å; N52-R55 WeakPolarHBondContact O-CB 3.49Å; N52-R55 PolarHBondContact O-N 2.96Å; N52-L56 PolarHBondContact O-N 3.44Å; N52-E89 HydrophobicContact CB-CB 4.44Å |
| 53 | F | 95.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.8 | -71.2 | -10.7 | 0 | 0 | 0 | 112.4 | S49 A50 R55 L56 I57 L88 E89 I111 K114 L115 I118 | S49-F53 WeakPolarHBondContact O-CG 3.47Å; S49-F53 PolarHBondContact O-N 3.5Å; A50-F53 PolarHBondContact O-N 3.18Å; F53-R55 VanDerWaalsContact C-N 3.32Å; F53-R55 PolarHBondContact O-N 2.98Å; F53-L56 PolarHBondContact O-N 2.96Å; F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.34Å; F53-L88 HydrophobicContact CE1-CB 3.94Å; F53-E89 HydrophobicContact CD1-CG 4.42Å; F53-E89 HydrophobicContact CE1-CG 3.71Å; F53-E89 HydrophobicContact CZ-CG 4.37Å; F53-I111 HydrophobicContact CB-CG2 3.66Å; F53-I111 HydrophobicContact CD1-CG2 4.27Å; F53-I111 HydrophobicContact CD2-CG2 4.47Å; F53-I111 HydrophobicContact CG-CG2 3.91Å; F53-K114 HydrophobicContact CD2-CB 4.33Å; F53-K114 HydrophobicContact CE2-CB 3.73Å; F53-K114 HydrophobicContact CE2-CD 4.37Å; F53-K114 HydrophobicContact CZ-CB 4.38Å; F53-K114 HydrophobicContact CZ-CD 4.2Å; F53-L115 HydrophobicContact CB-CD1 4.26Å; F53-I118 HydrophobicContact CD2-CD1 3.98Å; F53-I118 HydrophobicContact CE2-CD1 3.36Å; F53-I118 HydrophobicContact CE2-CG1 4.43Å; F53-I118 HydrophobicContact CZ-CD1 4.17Å |
| 54 | N | 95 | Very high | 95.5 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173 | -74.3 | -48.2 | 0 | 0 | 0 | 111.6 | A50 D51 L56 I57 N58 L115 | A50-N54 PolarHBondContact O-N 2.93Å; A50-N54 PolarHBondContact O-ND2 3.48Å; D51-N54 PolarHBondContact O-N 3.36Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.13Å; N54-I57 PolarHBondContact O-N 3Å; N54-N58 PolarHBondContact O-N 2.95Å; N54-N58 VanDerWaalsContact O-N 3.09Å; N54-N58 PolarHBondContact O-ND2 2.85Å; N54-L115 WeakPolarHBondContact OD1-CD2 3.39Å |
| 55 | R | 94.6 | Very high | 95.4 | Very high | 147 Ų | 147 | 56 Ų | 56 | 56% | 0.555 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 174.4 | -169 | -175.3 | 82.5 | 171.5 | 3.6 | 111.3 | D51 N52 F53 N58 L59 | D51-R55 PolarHBondContact O-N 3.28Å; N52-R55 WeakPolarHBondContact O-CB 3.49Å; N52-R55 PolarHBondContact O-N 2.96Å; F53-R55 VanDerWaalsContact C-N 3.32Å; F53-R55 PolarHBondContact O-N 2.98Å; R55-N58 PolarHBondContact O-N 3.19Å; R55-L59 WeakPolarHBondContact O-CB 3.24Å; R55-L59 PolarHBondContact O-N 3.39Å |
| 56 | L | 95.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 179.5 | -175 | 59.3 | 0 | 0 | 0 | 112.4 | N52 F53 N54 N58 L59 C60 L88 L91 I96 I111 | N52-L56 PolarHBondContact O-N 3.44Å; F53-L56 PolarHBondContact O-N 2.96Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.13Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.2Å; L56-L59 HydrophobicContact CD1-CD2 4.14Å; L56-L59 WeakPolarHBondContact O-CB 3.24Å; L56-L59 PolarHBondContact O-N 3.05Å; L56-L59 VanDerWaalsContact O-N 3.17Å; L56-C60 WeakPolarHBondContact O-CB 3.21Å; L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 2.81Å; L56-C60 VanDerWaalsContact O-SG 3.33Å; L56-L88 HydrophobicContact CD2-CD2 4.36Å; L56-L88 VanDerWaalsContact CD2-O 3.31Å; L56-L88 WeakPolarHBondContact CD2-O 3.46Å; L56-L91 HydrophobicContact CD1-CB 3.84Å; L56-L91 HydrophobicContact CD1-CD1 4.5Å; L56-L91 HydrophobicContact CD2-CB 4.38Å; L56-L91 HydrophobicContact CD2-CD1 4.08Å; L56-I96 HydrophobicContact CD1-CD1 4.01Å; L56-I96 HydrophobicContact CD1-CG1 4.16Å; L56-I111 HydrophobicContact CB-CD1 4.41Å; L56-I111 HydrophobicContact CD2-CD1 3.33Å; L56-I111 HydrophobicContact CD2-CG1 4.05Å; L56-I111 HydrophobicContact CG-CD1 3.61Å |
| 57 | I | 95.2 | Very high | 95.2 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 174.2 | -73.5 | 161.6 | 0 | 0 | 0 | 111.1 | F53 N54 L59 C60 S61 K108 I111 D112 L115 | F53-I57 WeakPolarHBondContact O-CG1 3.45Å; F53-I57 PolarHBondContact O-N 3.34Å; N54-I57 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-C60 PolarHBondContact O-N 2.97Å; I57-S61 WeakPolarHBondContact O-CB 3.4Å; I57-S61 PolarHBondContact O-N 3.31Å; I57-S61 PolarHBondContact O-OG 3.34Å; I57-K108 HydrophobicContact CG2-CD 4.49Å; I57-I111 HydrophobicContact CD1-CG2 3.85Å; I57-I111 HydrophobicContact CG1-CB 4.28Å; I57-I111 HydrophobicContact CG1-CG2 3.73Å; I57-D112 WeakPolarHBondContact CD1-OD1 3.45Å; I57-L115 HydrophobicContact CD1-CD2 3.93Å |
| 58 | N | 95.3 | Very high | 95.1 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 60% | 0.599 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 176.7 | -71.6 | -25.4 | 0 | 0 | 0 | 111.2 | N54 R55 L56 S61 K62 | N54-N58 PolarHBondContact O-N 2.95Å; N54-N58 VanDerWaalsContact O-N 3.09Å; N54-N58 PolarHBondContact O-ND2 2.85Å; R55-N58 PolarHBondContact O-N 3.19Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.2Å; N58-S61 PolarHBondContact O-N 3.46Å; N58-K62 PolarHBondContact O-N 3.38Å |
| 59 | L | 95.5 | Very high | 95 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 175.5 | -178.4 | 63 | 0 | 0 | 0 | 112.3 | R55 L56 I57 S61 K62 V63 V93 I96 | R55-L59 WeakPolarHBondContact O-CB 3.24Å; R55-L59 PolarHBondContact O-N 3.39Å; L56-L59 HydrophobicContact CD1-CD2 4.14Å; L56-L59 WeakPolarHBondContact O-CB 3.24Å; L56-L59 PolarHBondContact O-N 3.05Å; L56-L59 VanDerWaalsContact O-N 3.17Å; I57-L59 VanDerWaalsContact C-N 3.33Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.02Å; L59-K62 WeakPolarHBondContact O-CB 3.37Å; L59-K62 PolarHBondContact O-N 3.2Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.24Å; L59-V93 HydrophobicContact CD1-CB 3.77Å; L59-V93 HydrophobicContact CD1-CG2 3.82Å; L59-I96 HydrophobicContact CD2-CG1 3.94Å; L59-I96 HydrophobicContact CG-CG1 4.27Å |
| 60 | C | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.6 | -44.2 | 174.4 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | L56 I57 K62 V63 I64 I104 | L56-C60 WeakPolarHBondContact O-CB 3.21Å; L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 2.81Å; L56-C60 VanDerWaalsContact O-SG 3.33Å; I57-C60 PolarHBondContact O-N 2.97Å; C60-K62 PolarHBondContact O-N 3.23Å; C60-V63 PolarHBondContact O-N 3.38Å; C60-I64 VanDerWaalsContact O-CG1 3.3Å; C60-I64 WeakPolarHBondContact O-CG1 3.48Å; C60-I64 PolarHBondContact O-N 3.39Å; C60-I104 HydrophobicContact CB-CG2 3.55Å |
| 61 | S | 96.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | I57 N58 L59 G65 K108 | I57-S61 WeakPolarHBondContact O-CB 3.4Å; I57-S61 PolarHBondContact O-N 3.31Å; I57-S61 PolarHBondContact O-OG 3.34Å; N58-S61 PolarHBondContact O-N 3.46Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.02Å; S61-G65 PolarHBondContact O-N 2.84Å; S61-G65 VanDerWaalsContact O-N 3.13Å; S61-K108 PolarHBondContact OG-NZ 3.01Å; S61-K108 VanDerWaalsContact OG-NZ 3.11Å |
| 62 | K | 96.3 | Very high | 94.4 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 173.9 | -177.7 | -177.3 | 174.4 | -176.4 | 0 | 111.9 | N58 L59 C60 I64 G65 E66 | N58-K62 PolarHBondContact O-N 3.38Å; L59-K62 WeakPolarHBondContact O-CB 3.37Å; L59-K62 PolarHBondContact O-N 3.2Å; C60-K62 PolarHBondContact O-N 3.23Å; K62-I64 PolarHBondContact O-N 3.44Å; K62-G65 PolarHBondContact O-N 2.85Å; K62-G65 VanDerWaalsContact O-N 3.15Å; K62-E66 WeakPolarHBondContact CE-OE1 3.46Å; K62-E66 PolarHBondContact O-N 2.85Å |
| 63 | V | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | L59 C60 G65 E66 K67 V93 I96 K97 I104 | L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.24Å; C60-V63 PolarHBondContact O-N 3.38Å; V63-G65 VanDerWaalsContact C-N 3.29Å; V63-G65 PolarHBondContact O-N 3.49Å; V63-E66 PolarHBondContact O-N 2.88Å; V63-K67 HydrophobicContact CG1-CD 4.13Å; V63-K67 HydrophobicContact CG1-CG 4.24Å; V63-K67 WeakPolarHBondContact O-CG 3.46Å; V63-K67 PolarHBondContact O-N 3.34Å; V63-V93 HydrophobicContact CG2-CG2 4.36Å; V63-I96 HydrophobicContact CB-CG2 3.85Å; V63-I96 HydrophobicContact CG1-CG2 4.07Å; V63-I96 HydrophobicContact CG2-CB 4.24Å; V63-I96 HydrophobicContact CG2-CG2 3.81Å; V63-K97 HydrophobicContact CG1-CG 4.17Å; V63-K97 HydrophobicContact CG2-CG 4.31Å; V63-I104 HydrophobicContact CB-CD1 4.4Å; V63-I104 HydrophobicContact CG1-CD1 3.75Å |
| 64 | I | 94.7 | Very high | 93 | Very high | 29 Ų | 29 | 76.3 Ų | 76.3 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 172.5 | -72.3 | 167 | 0 | 0 | 0 | 110.6 | C60 K62 E66 K67 M68 I104 K105 | C60-I64 VanDerWaalsContact O-CG1 3.3Å; C60-I64 WeakPolarHBondContact O-CG1 3.48Å; C60-I64 PolarHBondContact O-N 3.39Å; K62-I64 PolarHBondContact O-N 3.44Å; I64-E66 PolarHBondContact O-N 2.6Å; I64-K67 PolarHBondContact O-N 3.32Å; I64-M68 HydrophobicContact CG2-CG 4.15Å; I64-M68 WeakPolarHBondContact O-CB 3.41Å; I64-M68 WeakPolarHBondContact O-CG 3.46Å; I64-M68 PolarHBondContact O-N 3.06Å; I64-I104 HydrophobicContact CD1-CB 4.14Å; I64-I104 HydrophobicContact CD1-CG2 3.63Å; I64-I104 HydrophobicContact CG1-CB 4.01Å; I64-I104 HydrophobicContact CG1-CD1 4.36Å; I64-I104 HydrophobicContact CG1-CG2 3.68Å; I64-K105 HydrophobicContact CD1-CG 4.01Å |
| 65 | G | 94.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 77.2 Ų | 77.2 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S61 K62 V63 K69 | S61-G65 PolarHBondContact O-N 2.84Å; S61-G65 VanDerWaalsContact O-N 3.13Å; K62-G65 PolarHBondContact O-N 2.85Å; K62-G65 VanDerWaalsContact O-N 3.15Å; V63-G65 VanDerWaalsContact C-N 3.29Å; V63-G65 PolarHBondContact O-N 3.49Å; G65-K69 WeakPolarHBondContact O-CB 3.27Å; G65-K69 PolarHBondContact O-N 3.29Å |
| 66 | E | 94.8 | Very high | 92 | Very high | 73 Ų | 73 | 77.3 Ų | 77.3 | 34% | 0.341 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 175.7 | -70.8 | 174.2 | -176.5 | 0 | 0 | 111.8 | K62 V63 I64 M68 K69 N70 | K62-E66 WeakPolarHBondContact CE-OE1 3.46Å; K62-E66 PolarHBondContact O-N 2.85Å; V63-E66 PolarHBondContact O-N 2.88Å; I64-E66 PolarHBondContact O-N 2.6Å; E66-M68 PolarHBondContact O-N 2.86Å; E66-K69 WeakPolarHBondContact O-CB 3.37Å; E66-K69 PolarHBondContact O-N 3.34Å; E66-N70 VanDerWaalsContact O-CG 3.31Å; E66-N70 PolarHBondContact O-N 2.93Å; E66-N70 PolarHBondContact O-ND2 2.93Å |
| 67 | K | 94.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 80 Ų | 80 | 9% | 0.087 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 179.3 | -66.8 | -173.8 | 170.5 | -90.5 | 0 | 112.6 | V63 I64 N70 K71 E72 K97 L99 I101 I104 | V63-K67 HydrophobicContact CG1-CD 4.13Å; V63-K67 HydrophobicContact CG1-CG 4.24Å; V63-K67 WeakPolarHBondContact O-CG 3.46Å; V63-K67 PolarHBondContact O-N 3.34Å; I64-K67 PolarHBondContact O-N 3.32Å; K67-N70 CarbonylContact O-C 3.5Å; K67-N70 PolarHBondContact O-N 3.4Å; K67-K71 PolarHBondContact O-N 3.17Å; K67-K71 VanDerWaalsContact O-N 3.15Å; K67-E72 HydrophobicContact CB-CB 4.41Å; K67-E72 HydrophobicContact CB-CG 4.45Å; K67-E72 WeakPolarHBondContact CD-OE2 3.17Å; K67-E72 VanDerWaalsContact CG-OE2 3.29Å; K67-E72 WeakPolarHBondContact CG-OE2 3.47Å; K67-E72 IonicContact NZ-OE2 2.69Å; K67-E72 PolarHBondContact NZ-OE2 3.27Å; K67-E72 PolarHBondContact O-N 3.13Å; K67-K97 WeakPolarHBondContact CE-O 3.39Å; K67-K97 PolarHBondContact NZ-O 2.79Å; K67-L99 WeakPolarHBondContact CE-O 3.2Å; K67-L99 PolarHBondContact NZ-O 3.24Å; K67-L99 VanDerWaalsContact NZ-O 3.17Å; K67-I101 HydrophobicContact CB-CD1 3.94Å; K67-I101 HydrophobicContact CB-CG1 3.86Å; K67-I101 HydrophobicContact CD-CG1 4.03Å; K67-I104 HydrophobicContact CD-CD1 4.03Å |
| 68 | M | 92.7 | Very high | 91.5 | Very high | 108 Ų | 108 | 83.5 Ų | 83.5 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 175.8 | -71.9 | -73.6 | -74.3 | 0 | 0 | 111.8 | I64 E66 N70 K71 I101 | I64-M68 HydrophobicContact CG2-CG 4.15Å; I64-M68 WeakPolarHBondContact O-CB 3.41Å; I64-M68 WeakPolarHBondContact O-CG 3.46Å; I64-M68 PolarHBondContact O-N 3.06Å; E66-M68 PolarHBondContact O-N 2.86Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 3.02Å; M68-K71 PolarHBondContact O-N 3.05Å; M68-I101 HydrophobicContact CG-CD1 4.2Å; M68-I101 HydrophobicContact SD-CD1 3.91Å |
| 69 | K | 94.5 | Very high | 91.3 | Very high | 180 Ų | 180 | 82.7 Ų | 82.7 | 78% | 0.783 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.8 | -36 | 175.1 | -175.1 | 179.3 | 177.5 | -176.8 | 0 | 111.9 | G65 E66 K71 | G65-K69 WeakPolarHBondContact O-CB 3.27Å; G65-K69 PolarHBondContact O-N 3.29Å; E66-K69 WeakPolarHBondContact O-CB 3.37Å; E66-K69 PolarHBondContact O-N 3.34Å; K69-K71 VanDerWaalsContact C-N 3.29Å; K69-K71 PolarHBondContact O-N 3.31Å |
| 70 | N | 92.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 81.8 Ų | 81.8 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.9 | 178.5 | -66.8 | -16.4 | 0 | 0 | 0 | 114.2 | E66 K67 M68 E72 | E66-N70 VanDerWaalsContact O-CG 3.31Å; E66-N70 PolarHBondContact O-N 2.93Å; E66-N70 PolarHBondContact O-ND2 2.93Å; K67-N70 CarbonylContact O-C 3.5Å; K67-N70 PolarHBondContact O-N 3.4Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 3.02Å; N70-E72 HydrophobicContact CB-CG 4.27Å; N70-E72 PolarHBondContact O-N 3.43Å |
| 71 | K | 90.4 | Very high | 91 | Very high | 188 Ų | 188 | 84.2 Ų | 84.2 | 82% | 0.817 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.3 | -176.5 | -55.7 | -179.1 | 179.9 | 179.5 | 0 | 113 | K67 M68 K69 | K67-K71 PolarHBondContact O-N 3.17Å; K67-K71 VanDerWaalsContact O-N 3.15Å; M68-K71 PolarHBondContact O-N 3.05Å; K69-K71 VanDerWaalsContact C-N 3.29Å; K69-K71 PolarHBondContact O-N 3.31Å |
| 72 | E | 88.2 | Confident | 90.7 | Very high | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | trans | -58.8 | 142.4 | 174.5 | -72.9 | 180 | -152 | 0 | 0 | 110.6 | K67 N70 I74 | K67-E72 HydrophobicContact CB-CB 4.41Å; K67-E72 HydrophobicContact CB-CG 4.45Å; K67-E72 WeakPolarHBondContact CD-OE2 3.17Å; K67-E72 VanDerWaalsContact CG-OE2 3.29Å; K67-E72 WeakPolarHBondContact CG-OE2 3.47Å; K67-E72 IonicContact NZ-OE2 2.69Å; K67-E72 PolarHBondContact NZ-OE2 3.27Å; K67-E72 PolarHBondContact O-N 3.13Å; N70-E72 HydrophobicContact CB-CG 4.27Å; N70-E72 PolarHBondContact O-N 3.43Å; E72-I74 PolarHBondContact O-N 2.97Å | ||
| 73 | P | 81.9 | Confident | 90.6 | Very high | 121 Ų | 121 | 85.7 Ų | 85.7 | 79% | 0.786 | 45% | 0.452 | S | S | * | . | trans | -56 | 137.6 | 178.2 | -23.1 | 32.4 | 0 | 0 | 0 | 111.7 | D75 | P73-D75 PolarHBondContact O-N 3.15Å; P73-D75 VanDerWaalsContact O-N 3.15Å | ||
| 74 | I | 79.3 | Confident | 90.4 | Very high | 114 Ų | 114 | 86.5 Ų | 86.5 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | trans | -81.2 | 96.5 | 173.6 | -57.2 | 175 | 0 | 0 | 0 | 107.6 | E72 V102 | E72-I74 PolarHBondContact O-N 2.97Å; I74-V102 HydrophobicContact CG2-CG2 4.01Å | ||
| 75 | D | 81.3 | Confident | 90.3 | Very high | 81 Ų | 81 | 87.8 Ų | 87.8 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | trans | -71.2 | 132.5 | 163.4 | -169 | -18.4 | 0 | 0 | 0 | 109.1 | P73 D77 T100 V102 | P73-D75 PolarHBondContact O-N 3.15Å; P73-D75 VanDerWaalsContact O-N 3.15Å; D75-D77 VanDerWaalsContact C-N 3.3Å; D75-D77 PolarHBondContact OD1-N 2.69Å; D75-T100 HydrophobicContact CB-CG2 3.65Å; D75-V102 WeakPolarHBondContact O-CB 3.21Å; D75-V102 WeakPolarHBondContact O-CG2 3.39Å | ||
| 76 | L | 86.7 | Confident | 90.1 | Very high | 148 Ų | 148 | 93.5 Ų | 93.5 | 78% | 0.775 | 48% | 0.478 | S | S | * | . | trans | -83.7 | -5.6 | -178.7 | -65.9 | 174.6 | 0 | 0 | 0 | 112.8 | N78 | L76-N78 PolarHBondContact O-N 3.23Š| ||
| 77 | D | 89.6 | Confident | 90 | Very high | 60 Ų | 60 | 93.3 Ų | 93.3 | 32% | 0.321 | 47% | 0.474 | S | S | . | . | trans | -60.7 | 125.4 | 173.5 | -177.4 | 25.4 | 0 | 0 | 0 | 111.1 | D75 V79 T100 V102 Q103 | D75-D77 VanDerWaalsContact C-N 3.3Å; D75-D77 PolarHBondContact OD1-N 2.69Å; D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.45Å; D77-V79 PolarHBondContact OD1-N 3.21Å; D77-T100 PolarHBondContact O-OG1 3.43Å; D77-V102 WeakPolarHBondContact O-CB 3.34Å; D77-V102 WeakPolarHBondContact O-CG1 3.4Å; D77-Q103 WeakPolarHBondContact O-CG 3.33Å; D77-Q103 PolarHBondContact OD2-NE2 3.01Å | ||
| 78 | N | 89.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | trans | -111.5 | 3.3 | 179.7 | 70 | 8.5 | 0 | 0 | 0 | 112.7 | L76 V80 V102 K106 | L76-N78 PolarHBondContact O-N 3.23Å; N78-V80 PolarHBondContact O-N 2.96Å; N78-V102 HydrophobicContact CB-CG1 3.69Å; N78-K106 WeakPolarHBondContact O-CG 3.44Å | ||
| 79 | V | 92.2 | Very high | 89.6 | Confident | 94 Ų | 94 | 91 Ų | 91 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | trans | -77.4 | 112.9 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | D77 Q103 | D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.45Å; D77-V79 PolarHBondContact OD1-N 3.21Å; V79-Q103 WeakPolarHBondContact O-CG 3.26Å; V79-Q103 PolarHBondContact O-NE2 3.28Å | ||
| 80 | V | 91.8 | Very high | 89.5 | Confident | 12 Ų | 12 | 87.2 Ų | 87.2 | 7% | 0.073 | 45% | 0.454 | C | S | . | . | trans | -80.6 | 128.6 | 171.9 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | N78 I82 L85 K106 L107 I110 | N78-V80 PolarHBondContact O-N 2.96Å; V80-I82 PolarHBondContact O-N 3Å; V80-L85 HydrophobicContact CB-CD2 4.24Å; V80-L85 HydrophobicContact CG1-CD2 3.8Å; V80-L85 HydrophobicContact CG1-CG 4.23Å; V80-K106 HydrophobicContact CG2-CB 4.01Å; V80-K106 HydrophobicContact CG2-CG 3.95Å; V80-L107 HydrophobicContact CG1-CB 4.39Å; V80-L107 HydrophobicContact CG1-CD1 4.16Å; V80-L107 HydrophobicContact CG2-CB 3.99Å; V80-I110 HydrophobicContact CG2-CD1 4.43Å | ||
| 81 | P | 92.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 82 Ų | 82 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | trans | -56.2 | 138.8 | 178.2 | -24.7 | 33.1 | 0 | 0 | 0 | 112.3 | D83 Y84 L99 | P81-D83 VanDerWaalsContact C-N 3.31Å; P81-D83 PolarHBondContact O-N 3.09Å; P81-Y84 HydrophobicContact CB-CD2 3.73Å; P81-Y84 HydrophobicContact CB-CE2 4.17Å; P81-Y84 HydrophobicContact CB-CG 4.47Å; P81-Y84 HydrophobicContact CG-CD2 4.08Å; P81-Y84 HydrophobicContact CG-CE2 4.2Å; P81-Y84 WeakPolarHBondContact O-CB 3.37Å; P81-Y84 PolarHBondContact O-N 3.49Å; P81-L99 HydrophobicContact CG-CD2 4.1Å | ||
| 82 | I | 91.4 | Very high | 89.6 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 65% | 0.646 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | -175 | -65.7 | 167.1 | 0 | 0 | 0 | 111.9 | V80 Y84 L85 E86 | V80-I82 PolarHBondContact O-N 3Å; I82-Y84 PolarHBondContact O-N 2.63Å; I82-Y84 VanDerWaalsContact O-N 3.13Å; I82-L85 WeakPolarHBondContact O-CA 3.49Å; I82-L85 WeakPolarHBondContact O-CB 3.21Å; I82-L85 PolarHBondContact O-N 3.19Å; I82-E86 PolarHBondContact O-N 3.38Å |
| 83 | D | 92.5 | Very high | 89.8 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -50.3 | -38.1 | 175 | 161.9 | 71.8 | 0 | 0 | 0 | 112.5 | P81 L85 E86 R87 | P81-D83 VanDerWaalsContact C-N 3.31Å; P81-D83 PolarHBondContact O-N 3.09Å; D83-L85 PolarHBondContact O-N 3.29Å; D83-E86 PolarHBondContact O-N 3.13Å; D83-R87 VanDerWaalsContact CG-NE 3.3Å; D83-R87 VanDerWaalsContact O-CG 3.29Å; D83-R87 WeakPolarHBondContact O-CG 3.37Å; D83-R87 PolarHBondContact O-N 2.68Å; D83-R87 WeakPolarHBondContact OD1-CD 3.26Å; D83-R87 IonicContact OD1-NE 3.29Å; D83-R87 PolarHBondContact OD1-NE 3.25Å; D83-R87 IonicContact OD2-CZ 2.76Å; D83-R87 IonicContact OD2-NE 2.88Å; D83-R87 PolarHBondContact OD2-NE 3.09Å; D83-R87 IonicContact OD2-NH2 3.12Å; D83-R87 PolarHBondContact OD2-NH2 2.68Å; D83-R87 VanDerWaalsContact OD2-NH2 3.08Å |
| 84 | Y | 92.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 74.2 Ų | 74.2 | 7% | 0.067 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.8 | -35.3 | -179.5 | -74.5 | -124.9 | 0 | 0 | 0 | 111.3 | P81 I82 E86 R87 L88 L91 D95 L99 | P81-Y84 HydrophobicContact CB-CD2 3.73Å; P81-Y84 HydrophobicContact CB-CE2 4.17Å; P81-Y84 HydrophobicContact CB-CG 4.47Å; P81-Y84 HydrophobicContact CG-CD2 4.08Å; P81-Y84 HydrophobicContact CG-CE2 4.2Å; P81-Y84 WeakPolarHBondContact O-CB 3.37Å; P81-Y84 PolarHBondContact O-N 3.49Å; I82-Y84 PolarHBondContact O-N 2.63Å; I82-Y84 VanDerWaalsContact O-N 3.13Å; Y84-E86 VanDerWaalsContact C-N 3.29Å; Y84-E86 PolarHBondContact O-N 3.04Å; Y84-R87 PolarHBondContact O-N 3.02Å; Y84-L88 WeakPolarHBondContact O-CD2 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.44Å; Y84-L88 PolarHBondContact O-N 2.8Å; Y84-L91 HydrophobicContact CD1-CD1 4.03Å; Y84-L91 HydrophobicContact CD1-CD2 3.65Å; Y84-L91 HydrophobicContact CE1-CD2 4.15Å; Y84-L91 HydrophobicContact CG-CD2 4.03Å; Y84-D95 HydrophobicContact CE1-CB 3.88Å; Y84-D95 WeakPolarHBondContact CE1-O 3.33Å; Y84-D95 PolarHBondContact OH-O 2.87Å; Y84-L99 HydrophobicContact CD1-CD1 3.87Å; Y84-L99 HydrophobicContact CD1-CD2 4.38Å; Y84-L99 HydrophobicContact CD1-CG 4.38Å; Y84-L99 HydrophobicContact CE1-CD1 3.82Å; Y84-L99 HydrophobicContact CE1-CD2 3.97Å; Y84-L99 HydrophobicContact CE1-CG 3.88Å |
| 85 | L | 91 | Very high | 91.1 | Very high | 57 Ų | 57 | 69.7 Ų | 69.7 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.9 | -28.5 | 178.1 | -57.4 | -179.5 | 0 | 0 | 0 | 112.1 | V80 I82 D83 L88 I110 | V80-L85 HydrophobicContact CB-CD2 4.24Å; V80-L85 HydrophobicContact CG1-CD2 3.8Å; V80-L85 HydrophobicContact CG1-CG 4.23Å; I82-L85 WeakPolarHBondContact O-CA 3.49Å; I82-L85 WeakPolarHBondContact O-CB 3.21Å; I82-L85 PolarHBondContact O-N 3.19Å; D83-L85 PolarHBondContact O-N 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; L85-I110 HydrophobicContact CD2-CD1 3.8Å; L85-I110 HydrophobicContact CD2-CG2 4.26Å |
| 86 | E | 90.8 | Very high | 91.7 | Very high | 161 Ų | 161 | 65.8 Ų | 65.8 | 75% | 0.752 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -78.9 | -31.1 | 176.8 | -67.7 | 179.8 | 174.2 | 0 | 0 | 112.5 | I82 D83 Y84 | I82-E86 PolarHBondContact O-N 3.38Å; D83-E86 PolarHBondContact O-N 3.13Å; Y84-E86 VanDerWaalsContact C-N 3.29Å; Y84-E86 PolarHBondContact O-N 3.04Å |
| 87 | R | 92.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 63.3 Ų | 63.3 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -112.9 | 26.9 | -175.4 | 81.3 | -169.2 | 169.7 | 94.6 | -0.3 | 114.9 | D83 Y84 E89 V90 L91 D95 | D83-R87 VanDerWaalsContact CG-NE 3.3Å; D83-R87 VanDerWaalsContact O-CG 3.29Å; D83-R87 WeakPolarHBondContact O-CG 3.37Å; D83-R87 PolarHBondContact O-N 2.68Å; D83-R87 WeakPolarHBondContact OD1-CD 3.26Å; D83-R87 IonicContact OD1-NE 3.29Å; D83-R87 PolarHBondContact OD1-NE 3.25Å; D83-R87 IonicContact OD2-CZ 2.76Å; D83-R87 IonicContact OD2-NE 2.88Å; D83-R87 PolarHBondContact OD2-NE 3.09Å; D83-R87 IonicContact OD2-NH2 3.12Å; D83-R87 PolarHBondContact OD2-NH2 2.68Å; D83-R87 VanDerWaalsContact OD2-NH2 3.08Å; Y84-R87 PolarHBondContact O-N 3.02Å; R87-E89 VanDerWaalsContact C-N 3.25Å; R87-E89 PolarHBondContact O-N 2.7Å; R87-E89 VanDerWaalsContact O-N 3.09Å; R87-V90 HydrophobicContact CB-CG2 3.61Å; R87-V90 HydrophobicContact CG-CG2 4.09Å; R87-V90 WeakPolarHBondContact O-CG2 3.38Å; R87-V90 PolarHBondContact O-N 3.5Å; R87-L91 HydrophobicContact CG-CD2 3.86Å; R87-L91 HydrophobicContact CG-CG 4.33Å; R87-L91 PolarHBondContact O-N 3.32Å; R87-D95 IonicContact CZ-OD1 3.04Å; R87-D95 VanDerWaalsContact CZ-OD1 3.29Å; R87-D95 IonicContact NH1-OD1 3.19Å; R87-D95 PolarHBondContact NH1-OD1 3.32Å; R87-D95 IonicContact NH1-OD2 3.34Å; R87-D95 PolarHBondContact NH1-OD2 3.29Å; R87-D95 VanDerWaalsContact NH1-OD2 3.12Å; R87-D95 IonicContact NH2-OD1 2.76Å; R87-D95 PolarHBondContact NH2-OD1 2.99Å |
| 88 | L | 91.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -46.7 | -44.1 | -176.7 | -70.9 | 173.4 | 0 | 0 | 0 | 113.6 | F53 L56 Y84 L85 V90 L91 L107 I111 K114 | F53-L88 HydrophobicContact CE1-CB 3.94Å; L56-L88 HydrophobicContact CD2-CD2 4.36Å; L56-L88 VanDerWaalsContact CD2-O 3.31Å; L56-L88 WeakPolarHBondContact CD2-O 3.46Å; Y84-L88 WeakPolarHBondContact O-CD2 3.28Å; Y84-L88 WeakPolarHBondContact O-CG 3.44Å; Y84-L88 PolarHBondContact O-N 2.8Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; L88-V90 PolarHBondContact O-N 2.81Å; L88-L91 HydrophobicContact CD2-CD1 4.08Å; L88-L107 HydrophobicContact CD2-CD1 3.45Å; L88-L107 VanDerWaalsContact CD2-CD1 3.45Å; L88-I111 HydrophobicContact CD2-CG1 4.15Å; L88-K114 HydrophobicContact CD1-CD 3.67Å |
| 89 | E | 87.7 | Confident | 92.4 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -68.8 | -17.7 | -176.2 | -64.5 | -173.5 | -179.1 | 0 | 0 | 114.3 | S49 N52 F53 R87 | S49-E89 WeakPolarHBondContact CB-OE1 3.04Å; S49-E89 PolarHBondContact OG-OE1 3.21Å; N52-E89 HydrophobicContact CB-CB 4.44Å; F53-E89 HydrophobicContact CD1-CG 4.42Å; F53-E89 HydrophobicContact CE1-CG 3.71Å; F53-E89 HydrophobicContact CZ-CG 4.37Å; R87-E89 VanDerWaalsContact C-N 3.25Å; R87-E89 PolarHBondContact O-N 2.7Å; R87-E89 VanDerWaalsContact O-N 3.09Å |
| 90 | V | 91.7 | Very high | 92.4 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -112.9 | -1.2 | -176.5 | -61.1 | 0 | 0 | 0 | 0 | 113.9 | R87 L88 N92 | R87-V90 HydrophobicContact CB-CG2 3.61Å; R87-V90 HydrophobicContact CG-CG2 4.09Å; R87-V90 WeakPolarHBondContact O-CG2 3.38Å; R87-V90 PolarHBondContact O-N 3.5Å; L88-V90 PolarHBondContact O-N 2.81Å; V90-N92 PolarHBondContact O-N 2.74Å |
| 91 | L | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -57.2 | 133.7 | 175.8 | -70 | 175.6 | 0 | 0 | 0 | 111 | L56 Y84 R87 L88 D95 I96 L107 | L56-L91 HydrophobicContact CD1-CB 3.84Å; L56-L91 HydrophobicContact CD1-CD1 4.5Å; L56-L91 HydrophobicContact CD2-CB 4.38Å; L56-L91 HydrophobicContact CD2-CD1 4.08Å; Y84-L91 HydrophobicContact CD1-CD1 4.03Å; Y84-L91 HydrophobicContact CD1-CD2 3.65Å; Y84-L91 HydrophobicContact CE1-CD2 4.15Å; Y84-L91 HydrophobicContact CG-CD2 4.03Å; R87-L91 HydrophobicContact CG-CD2 3.86Å; R87-L91 HydrophobicContact CG-CG 4.33Å; R87-L91 PolarHBondContact O-N 3.32Å; L88-L91 HydrophobicContact CD2-CD1 4.08Å; L91-D95 HydrophobicContact CD2-CB 3.83Å; L91-I96 HydrophobicContact CB-CD1 4.39Å; L91-I96 HydrophobicContact CD1-CD1 4.2Å; L91-L107 HydrophobicContact CD1-CD2 4.28Å | ||
| 92 | N | 92.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | trans | -115.3 | -179.5 | -179.5 | 68.9 | 53.9 | 0 | 0 | 0 | 111.6 | V90 D94 D95 I96 | V90-N92 PolarHBondContact O-N 2.74Å; N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å; N92-D94 WeakPolarHBondContact OD1-CB 3.45Å; N92-D94 PolarHBondContact OD1-N 3.48Å; N92-D95 PolarHBondContact N-OD2 3.3Å; N92-D95 PolarHBondContact ND2-OD2 2.95Å; N92-D95 VanDerWaalsContact ND2-OD2 3.13Å; N92-D95 PolarHBondContact O-N 3.32Å; N92-D95 PolarHBondContact OD1-N 3.49Å; N92-D95 PolarHBondContact OD1-OD2 3.01Å; N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 2.88Å | ||
| 93 | V | 93.7 | Very high | 92.8 | Very high | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -34.3 | -175.5 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | L59 V63 I96 K97 | L59-V93 HydrophobicContact CD1-CB 3.77Å; L59-V93 HydrophobicContact CD1-CG2 3.82Å; V63-V93 HydrophobicContact CG2-CG2 4.36Å; V93-I96 PolarHBondContact O-N 2.72Å; V93-K97 HydrophobicContact CG2-CD 4.34Å; V93-K97 WeakPolarHBondContact O-CG 3.47Å; V93-K97 PolarHBondContact O-N 2.84Å; V93-K97 VanDerWaalsContact O-N 3.1Å |
| 94 | D | 93.7 | Very high | 92.9 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 53% | 0.529 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.5 | -36.6 | -176.4 | -61.6 | -37.4 | 0 | 0 | 0 | 110.8 | N92 I96 K97 I98 | N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å; N92-D94 WeakPolarHBondContact OD1-CB 3.45Å; N92-D94 PolarHBondContact OD1-N 3.48Å; D94-I96 PolarHBondContact O-N 3.33Å; D94-K97 PolarHBondContact O-N 3.48Å; D94-I98 WeakPolarHBondContact O-CG1 3.35Å |
| 95 | D | 93.9 | Very high | 93 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -50.1 | 170.2 | -61.2 | -58.9 | 0 | 0 | 0 | 110.8 | Y84 R87 L91 N92 K97 I98 | Y84-D95 HydrophobicContact CE1-CB 3.88Å; Y84-D95 WeakPolarHBondContact CE1-O 3.33Å; Y84-D95 PolarHBondContact OH-O 2.87Å; R87-D95 IonicContact CZ-OD1 3.04Å; R87-D95 VanDerWaalsContact CZ-OD1 3.29Å; R87-D95 IonicContact NH1-OD1 3.19Å; R87-D95 PolarHBondContact NH1-OD1 3.32Å; R87-D95 IonicContact NH1-OD2 3.34Å; R87-D95 PolarHBondContact NH1-OD2 3.29Å; R87-D95 VanDerWaalsContact NH1-OD2 3.12Å; R87-D95 IonicContact NH2-OD1 2.76Å; R87-D95 PolarHBondContact NH2-OD1 2.99Å; L91-D95 HydrophobicContact CD2-CB 3.83Å; N92-D95 PolarHBondContact N-OD2 3.3Å; N92-D95 PolarHBondContact ND2-OD2 2.95Å; N92-D95 VanDerWaalsContact ND2-OD2 3.13Å; N92-D95 PolarHBondContact O-N 3.32Å; N92-D95 PolarHBondContact OD1-N 3.49Å; N92-D95 PolarHBondContact OD1-OD2 3.01Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 3.35Å; D95-I98 PolarHBondContact O-N 3.41Å |
| 96 | I | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -31.7 | -175.6 | -57.8 | -51.7 | 0 | 0 | 0 | 112.3 | L56 L59 V63 L91 N92 V93 D94 I98 L99 I104 L107 | L56-I96 HydrophobicContact CD1-CD1 4.01Å; L56-I96 HydrophobicContact CD1-CG1 4.16Å; L59-I96 HydrophobicContact CD2-CG1 3.94Å; L59-I96 HydrophobicContact CG-CG1 4.27Å; V63-I96 HydrophobicContact CB-CG2 3.85Å; V63-I96 HydrophobicContact CG1-CG2 4.07Å; V63-I96 HydrophobicContact CG2-CB 4.24Å; V63-I96 HydrophobicContact CG2-CG2 3.81Å; L91-I96 HydrophobicContact CB-CD1 4.39Å; L91-I96 HydrophobicContact CD1-CD1 4.2Å; N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 2.88Å; V93-I96 PolarHBondContact O-N 2.72Å; D94-I96 PolarHBondContact O-N 3.33Å; I96-I98 VanDerWaalsContact C-N 3.26Å; I96-I98 PolarHBondContact O-N 2.87Å; I96-L99 HydrophobicContact CD1-CD1 4.45Å; I96-L99 PolarHBondContact O-N 2.88Å; I96-I104 HydrophobicContact CG2-CD1 4.08Å; I96-I104 HydrophobicContact CG2-CG1 4.08Å; I96-I104 HydrophobicContact CG2-CG2 4.18Å; I96-L107 HydrophobicContact CD1-CD2 3.56Å |
| 97 | K | 93.8 | Very high | 93.4 | Very high | 95 Ų | 95 | 48 Ų | 48 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -26.7 | 178.9 | -81.9 | 173.2 | 176.4 | 172.7 | 0 | 113.9 | V63 K67 V93 D94 D95 L99 | V63-K97 HydrophobicContact CG1-CG 4.17Å; V63-K97 HydrophobicContact CG2-CG 4.31Å; K67-K97 WeakPolarHBondContact CE-O 3.39Å; K67-K97 PolarHBondContact NZ-O 2.79Å; V93-K97 HydrophobicContact CG2-CD 4.34Å; V93-K97 WeakPolarHBondContact O-CG 3.47Å; V93-K97 PolarHBondContact O-N 2.84Å; V93-K97 VanDerWaalsContact O-N 3.1Å; D94-K97 PolarHBondContact O-N 3.48Å; D95-K97 VanDerWaalsContact C-N 3.33Å; D95-K97 PolarHBondContact O-N 3.35Å; K97-L99 VanDerWaalsContact C-N 3.29Å |
| 98 | I | 93 | Very high | 93.6 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 66% | 0.656 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -69.2 | -30.9 | 178.5 | -63.8 | 164.8 | 0 | 0 | 0 | 110.9 | D94 D95 I96 | D94-I98 WeakPolarHBondContact O-CG1 3.35Å; D95-I98 PolarHBondContact O-N 3.41Å; I96-I98 VanDerWaalsContact C-N 3.26Å; I96-I98 PolarHBondContact O-N 2.87Å |
| 99 | L | 93.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -74.2 | 153.2 | -177.1 | -60 | 179 | 0 | 0 | 0 | 112.8 | K67 P81 Y84 I96 K97 Q103 I104 L107 | K67-L99 WeakPolarHBondContact CE-O 3.2Å; K67-L99 PolarHBondContact NZ-O 3.24Å; K67-L99 VanDerWaalsContact NZ-O 3.17Å; P81-L99 HydrophobicContact CG-CD2 4.1Å; Y84-L99 HydrophobicContact CD1-CD1 3.87Å; Y84-L99 HydrophobicContact CD1-CD2 4.38Å; Y84-L99 HydrophobicContact CD1-CG 4.38Å; Y84-L99 HydrophobicContact CE1-CD1 3.82Å; Y84-L99 HydrophobicContact CE1-CD2 3.97Å; Y84-L99 HydrophobicContact CE1-CG 3.88Å; I96-L99 HydrophobicContact CD1-CD1 4.45Å; I96-L99 PolarHBondContact O-N 2.88Å; K97-L99 VanDerWaalsContact C-N 3.29Å; L99-Q103 HydrophobicContact CB-CB 4.01Å; L99-Q103 HydrophobicContact CD2-CB 4.36Å; L99-I104 HydrophobicContact CB-CD1 4.36Å; L99-I104 HydrophobicContact CB-CG1 3.65Å; L99-I104 HydrophobicContact CD1-CG1 4.39Å; L99-L107 HydrophobicContact CD1-CD2 3.87Å |
| 100 | T | 93.2 | Very high | 94.1 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | trans | -75 | 162.1 | 172.7 | 76.4 | 0 | 0 | 0 | 0 | 111 | D75 D77 V102 Q103 I104 | D75-T100 HydrophobicContact CB-CG2 3.65Å; D77-T100 PolarHBondContact O-OG1 3.43Å; T100-V102 PolarHBondContact O-N 3.35Å; T100-Q103 PolarHBondContact O-N 3.06Å; T100-Q103 WeakPolarHBondContact OG1-CB 3.34Å; T100-Q103 VanDerWaalsContact OG1-CG 3.31Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.44Å; T100-Q103 PolarHBondContact OG1-N 3.35Å; T100-Q103 VanDerWaalsContact OG1-N 3.11Å; T100-I104 VanDerWaalsContact O-CG1 3.25Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 2.76Å | ||
| 101 | I | 93.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -38.1 | 177 | -66.3 | 170.7 | 0 | 0 | 0 | 111.2 | K67 M68 K105 | K67-I101 HydrophobicContact CB-CD1 3.94Å; K67-I101 HydrophobicContact CB-CG1 3.86Å; K67-I101 HydrophobicContact CD-CG1 4.03Å; M68-I101 HydrophobicContact CG-CD1 4.2Å; M68-I101 HydrophobicContact SD-CD1 3.91Å; I101-K105 HydrophobicContact CG2-CD 4.3Å; I101-K105 WeakPolarHBondContact O-CB 3.48Å; I101-K105 VanDerWaalsContact O-CG 3.3Å; I101-K105 WeakPolarHBondContact O-CG 3.11Å; I101-K105 PolarHBondContact O-N 3.12Å |
| 102 | V | 94.2 | Very high | 94.4 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.9 | -41.3 | -179.8 | 178.1 | 0 | 0 | 0 | 0 | 111 | I74 D75 D77 N78 T100 K105 K106 | I74-V102 HydrophobicContact CG2-CG2 4.01Å; D75-V102 WeakPolarHBondContact O-CB 3.21Å; D75-V102 WeakPolarHBondContact O-CG2 3.39Å; D77-V102 WeakPolarHBondContact O-CB 3.34Å; D77-V102 WeakPolarHBondContact O-CG1 3.4Å; N78-V102 HydrophobicContact CB-CG1 3.69Å; T100-V102 PolarHBondContact O-N 3.35Å; V102-K105 PolarHBondContact O-N 3.49Å; V102-K106 PolarHBondContact O-N 3.05Å |
| 103 | Q | 95 | Very high | 94.6 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 172.4 | -72.2 | 171.1 | -17.1 | 0 | 0 | 112.2 | D77 V79 L99 T100 K105 K106 L107 | D77-Q103 WeakPolarHBondContact O-CG 3.33Å; D77-Q103 PolarHBondContact OD2-NE2 3.01Å; V79-Q103 WeakPolarHBondContact O-CG 3.26Å; V79-Q103 PolarHBondContact O-NE2 3.28Å; L99-Q103 HydrophobicContact CB-CB 4.01Å; L99-Q103 HydrophobicContact CD2-CB 4.36Å; T100-Q103 PolarHBondContact O-N 3.06Å; T100-Q103 WeakPolarHBondContact OG1-CB 3.34Å; T100-Q103 VanDerWaalsContact OG1-CG 3.31Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.44Å; T100-Q103 PolarHBondContact OG1-N 3.35Å; T100-Q103 VanDerWaalsContact OG1-N 3.11Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 3.33Å; Q103-K106 PolarHBondContact O-N 3.13Å; Q103-L107 WeakPolarHBondContact O-CB 3.31Å; Q103-L107 PolarHBondContact O-N 3.19Å |
| 104 | I | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.9 | -58.7 | 164.1 | 0 | 0 | 0 | 110.6 | C60 V63 I64 K67 I96 L99 T100 L107 K108 | C60-I104 HydrophobicContact CB-CG2 3.55Å; V63-I104 HydrophobicContact CB-CD1 4.4Å; V63-I104 HydrophobicContact CG1-CD1 3.75Å; I64-I104 HydrophobicContact CD1-CB 4.14Å; I64-I104 HydrophobicContact CD1-CG2 3.63Å; I64-I104 HydrophobicContact CG1-CB 4.01Å; I64-I104 HydrophobicContact CG1-CD1 4.36Å; I64-I104 HydrophobicContact CG1-CG2 3.68Å; K67-I104 HydrophobicContact CD-CD1 4.03Å; I96-I104 HydrophobicContact CG2-CD1 4.08Å; I96-I104 HydrophobicContact CG2-CG1 4.08Å; I96-I104 HydrophobicContact CG2-CG2 4.18Å; L99-I104 HydrophobicContact CB-CD1 4.36Å; L99-I104 HydrophobicContact CB-CG1 3.65Å; L99-I104 HydrophobicContact CD1-CG1 4.39Å; T100-I104 VanDerWaalsContact O-CG1 3.25Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 2.76Å; I104-L107 PolarHBondContact O-N 3.49Å; I104-K108 WeakPolarHBondContact O-CB 3.41Å; I104-K108 PolarHBondContact O-N 2.98Å |
| 105 | K | 95.4 | Very high | 94.7 | Very high | 123 Ų | 123 | 44.7 Ų | 44.7 | 54% | 0.535 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.9 | -76.4 | 176.1 | 179.7 | -179.5 | 0 | 111.8 | I64 I101 V102 Q103 K108 S109 | I64-K105 HydrophobicContact CD1-CG 4.01Å; I101-K105 HydrophobicContact CG2-CD 4.3Å; I101-K105 WeakPolarHBondContact O-CB 3.48Å; I101-K105 VanDerWaalsContact O-CG 3.3Å; I101-K105 WeakPolarHBondContact O-CG 3.11Å; I101-K105 PolarHBondContact O-N 3.12Å; V102-K105 PolarHBondContact O-N 3.49Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 3.33Å; K105-K108 PolarHBondContact O-N 3.3Å; K105-S109 PolarHBondContact O-N 2.82Å; K105-S109 VanDerWaalsContact O-N 3.08Å |
| 106 | K | 95.5 | Very high | 94.9 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 38% | 0.378 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 176.1 | -177.7 | 58.4 | 176 | 170.5 | 0 | 111.9 | N78 V80 V102 Q103 K108 S109 I110 | N78-K106 WeakPolarHBondContact O-CG 3.44Å; V80-K106 HydrophobicContact CG2-CB 4.01Å; V80-K106 HydrophobicContact CG2-CG 3.95Å; V102-K106 PolarHBondContact O-N 3.05Å; Q103-K106 PolarHBondContact O-N 3.13Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 2.99Å; K106-S109 WeakPolarHBondContact O-CB 3.17Å; K106-S109 PolarHBondContact O-N 3.06Å; K106-I110 HydrophobicContact CG-CD1 4.22Å; K106-I110 WeakPolarHBondContact O-CG1 3.36Å; K106-I110 PolarHBondContact O-N 3.31Å |
| 107 | L | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.4 | 174.9 | 61.4 | 0 | 0 | 0 | 110.9 | V80 L88 L91 I96 L99 Q103 I104 S109 I110 I111 | V80-L107 HydrophobicContact CG1-CB 4.39Å; V80-L107 HydrophobicContact CG1-CD1 4.16Å; V80-L107 HydrophobicContact CG2-CB 3.99Å; L88-L107 HydrophobicContact CD2-CD1 3.45Å; L88-L107 VanDerWaalsContact CD2-CD1 3.45Å; L91-L107 HydrophobicContact CD1-CD2 4.28Å; I96-L107 HydrophobicContact CD1-CD2 3.56Å; L99-L107 HydrophobicContact CD1-CD2 3.87Å; Q103-L107 WeakPolarHBondContact O-CB 3.31Å; Q103-L107 PolarHBondContact O-N 3.19Å; I104-L107 PolarHBondContact O-N 3.49Å; L107-S109 PolarHBondContact O-N 3.06Å; L107-I110 PolarHBondContact O-N 3.11Å; L107-I111 HydrophobicContact CD1-CD1 3.92Å; L107-I111 HydrophobicContact CD1-CG1 4.2Å; L107-I111 HydrophobicContact CG-CD1 3.75Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CD1 3.43Å; L107-I111 VanDerWaalsContact O-CG1 3.24Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.46Å |
| 108 | K | 95.8 | Very high | 95 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 175.6 | -175 | 174.4 | 172 | 170.2 | 0 | 112 | I57 S61 I104 K105 K106 I110 I111 D112 | I57-K108 HydrophobicContact CG2-CD 4.49Å; S61-K108 PolarHBondContact OG-NZ 3.01Å; S61-K108 VanDerWaalsContact OG-NZ 3.11Å; I104-K108 WeakPolarHBondContact O-CB 3.41Å; I104-K108 PolarHBondContact O-N 2.98Å; K105-K108 PolarHBondContact O-N 3.3Å; K106-K108 VanDerWaalsContact C-N 3.32Å; K106-K108 PolarHBondContact O-N 2.99Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.27Å; K108-I111 PolarHBondContact O-N 3.36Å; K108-D112 WeakPolarHBondContact O-CB 3.29Å; K108-D112 PolarHBondContact O-N 3.32Å |
| 109 | S | 95.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 50 Ų | 50 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -43.7 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | K105 K106 L107 D112 E113 | K105-S109 PolarHBondContact O-N 2.82Å; K105-S109 VanDerWaalsContact O-N 3.08Å; K106-S109 WeakPolarHBondContact O-CB 3.17Å; K106-S109 PolarHBondContact O-N 3.06Å; L107-S109 PolarHBondContact O-N 3.06Å; S109-D112 PolarHBondContact O-N 2.93Å; S109-E113 WeakPolarHBondContact O-CG 3.38Å; S109-E113 PolarHBondContact O-N 2.92Å |
| 110 | I | 95.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.3 | -65.3 | 166.3 | 0 | 0 | 0 | 111 | V80 L85 K106 L107 K108 E113 K114 | V80-I110 HydrophobicContact CG2-CD1 4.43Å; L85-I110 HydrophobicContact CD2-CD1 3.8Å; L85-I110 HydrophobicContact CD2-CG2 4.26Å; K106-I110 HydrophobicContact CG-CD1 4.22Å; K106-I110 WeakPolarHBondContact O-CG1 3.36Å; K106-I110 PolarHBondContact O-N 3.31Å; L107-I110 PolarHBondContact O-N 3.11Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.27Å; I110-E113 PolarHBondContact O-N 2.92Å; I110-K114 WeakPolarHBondContact O-CG 3.42Å; I110-K114 PolarHBondContact O-N 3.34Å |
| 111 | I | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 177.5 | -61 | 156.5 | 0 | 0 | 0 | 110.6 | F53 L56 I57 L88 L107 K108 K114 L115 | F53-I111 HydrophobicContact CB-CG2 3.66Å; F53-I111 HydrophobicContact CD1-CG2 4.27Å; F53-I111 HydrophobicContact CD2-CG2 4.47Å; F53-I111 HydrophobicContact CG-CG2 3.91Å; L56-I111 HydrophobicContact CB-CD1 4.41Å; L56-I111 HydrophobicContact CD2-CD1 3.33Å; L56-I111 HydrophobicContact CD2-CG1 4.05Å; L56-I111 HydrophobicContact CG-CD1 3.61Å; I57-I111 HydrophobicContact CD1-CG2 3.85Å; I57-I111 HydrophobicContact CG1-CB 4.28Å; I57-I111 HydrophobicContact CG1-CG2 3.73Å; L88-I111 HydrophobicContact CD2-CG1 4.15Å; L107-I111 HydrophobicContact CD1-CD1 3.92Å; L107-I111 HydrophobicContact CD1-CG1 4.2Å; L107-I111 HydrophobicContact CG-CD1 3.75Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CD1 3.43Å; L107-I111 VanDerWaalsContact O-CG1 3.24Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.46Å; K108-I111 PolarHBondContact O-N 3.36Å; I111-K114 PolarHBondContact O-N 3.42Å; I111-L115 VanDerWaalsContact O-CB 3.24Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 PolarHBondContact O-N 3.35Å |
| 112 | D | 95.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.2 | -74.9 | -33.7 | 0 | 0 | 0 | 111 | I57 K108 S109 L115 V116 | I57-D112 WeakPolarHBondContact CD1-OD1 3.45Å; K108-D112 WeakPolarHBondContact O-CB 3.29Å; K108-D112 PolarHBondContact O-N 3.32Å; S109-D112 PolarHBondContact O-N 2.93Å; D112-L115 PolarHBondContact O-N 3.29Å; D112-V116 VanDerWaalsContact O-CG2 3.26Å; D112-V116 WeakPolarHBondContact O-CG2 3.19Å; D112-V116 PolarHBondContact O-N 2.85Å |
| 113 | E | 95.8 | Very high | 96 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 173.2 | -73.6 | 165.4 | -152.4 | 0 | 0 | 111.7 | S109 I110 L115 V116 E117 | S109-E113 WeakPolarHBondContact O-CG 3.38Å; S109-E113 PolarHBondContact O-N 2.92Å; I110-E113 PolarHBondContact O-N 2.92Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.68Å; E113-V116 WeakPolarHBondContact O-CB 3.35Å; E113-V116 PolarHBondContact O-N 2.9Å; E113-V116 VanDerWaalsContact O-N 3.17Å; E113-E117 PolarHBondContact O-N 3.36Å; E113-E117 VanDerWaalsContact O-N 3.13Å |
| 114 | K | 94.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 176.5 | -71.1 | -163.7 | 178.7 | -155.3 | 0 | 113 | F53 L88 I110 I111 V116 E117 I118 | F53-K114 HydrophobicContact CD2-CB 4.33Å; F53-K114 HydrophobicContact CE2-CB 3.73Å; F53-K114 HydrophobicContact CE2-CD 4.37Å; F53-K114 HydrophobicContact CZ-CB 4.38Å; F53-K114 HydrophobicContact CZ-CD 4.2Å; L88-K114 HydrophobicContact CD1-CD 3.67Å; I110-K114 WeakPolarHBondContact O-CG 3.42Å; I110-K114 PolarHBondContact O-N 3.34Å; I111-K114 PolarHBondContact O-N 3.42Å; K114-V116 VanDerWaalsContact C-N 3.32Å; K114-E117 PolarHBondContact O-N 2.86Å; K114-I118 WeakPolarHBondContact O-CB 3.44Å; K114-I118 WeakPolarHBondContact O-CG1 3.25Å; K114-I118 PolarHBondContact O-N 2.97Å |
| 115 | L | 95.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -36 | 178 | -176.2 | 64.6 | 0 | 0 | 0 | 111.2 | A50 F53 N54 I57 I111 D112 E113 K119 | A50-L115 HydrophobicContact CB-CD1 3.88Å; F53-L115 HydrophobicContact CB-CD1 4.26Å; N54-L115 WeakPolarHBondContact OD1-CD2 3.39Å; I57-L115 HydrophobicContact CD1-CD2 3.93Å; I111-L115 VanDerWaalsContact O-CB 3.24Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 PolarHBondContact O-N 3.35Å; D112-L115 PolarHBondContact O-N 3.29Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.68Å; L115-K119 HydrophobicContact CG-CD 4.25Å; L115-K119 WeakPolarHBondContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CG 3.4Å; L115-K119 PolarHBondContact O-N 3.26Å |
| 116 | V | 96.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 63 Ų | 63 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.3 | -47.6 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | D112 E113 K114 K119 A120 | D112-V116 VanDerWaalsContact O-CG2 3.26Å; D112-V116 WeakPolarHBondContact O-CG2 3.19Å; D112-V116 PolarHBondContact O-N 2.85Å; E113-V116 WeakPolarHBondContact O-CB 3.35Å; E113-V116 PolarHBondContact O-N 2.9Å; E113-V116 VanDerWaalsContact O-N 3.17Å; K114-V116 VanDerWaalsContact C-N 3.32Å; V116-K119 PolarHBondContact O-N 3.42Å; V116-A120 PolarHBondContact O-N 3.39Å |
| 117 | E | 96.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.7 | -48.7 | 177.6 | -68.3 | 176.6 | 176.4 | 0 | 0 | 112.3 | E113 K114 K119 A120 E121 | E113-E117 PolarHBondContact O-N 3.36Å; E113-E117 VanDerWaalsContact O-N 3.13Å; K114-E117 PolarHBondContact O-N 2.86Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 2.83Å; E117-A120 PolarHBondContact O-N 3.45Å; E117-E121 PolarHBondContact O-N 3.32Å |
| 118 | I | 95.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 179.3 | -73.8 | -173 | 0 | 0 | 0 | 111.2 | H46 A50 F53 K114 E121 M122 | H46-I118 HydrophobicContact CB-CG2 3.89Å; H46-I118 WeakPolarHBondContact O-CG2 3.39Å; A50-I118 HydrophobicContact CB-CG2 4.06Å; F53-I118 HydrophobicContact CD2-CD1 3.98Å; F53-I118 HydrophobicContact CE2-CD1 3.36Å; F53-I118 HydrophobicContact CE2-CG1 4.43Å; F53-I118 HydrophobicContact CZ-CD1 4.17Å; K114-I118 WeakPolarHBondContact O-CB 3.44Å; K114-I118 WeakPolarHBondContact O-CG1 3.25Å; K114-I118 PolarHBondContact O-N 2.97Å; I118-E121 PolarHBondContact O-N 2.84Å; I118-M122 HydrophobicContact CG2-CG 4.35Å; I118-M122 HydrophobicContact CG2-SD 4.06Å; I118-M122 VanDerWaalsContact O-CG 3.26Å; I118-M122 WeakPolarHBondContact O-CG 3.33Å; I118-M122 PolarHBondContact O-N 2.97Å |
| 119 | K | 96.7 | Very high | 96.3 | Very high | 101 Ų | 101 | 62.1 Ų | 62.1 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.7 | -77.3 | 172.8 | 179.2 | 174 | 0 | 111.8 | L115 V116 E117 M122 E123 | L115-K119 HydrophobicContact CG-CD 4.25Å; L115-K119 WeakPolarHBondContact O-CB 3.29Å; L115-K119 WeakPolarHBondContact O-CG 3.4Å; L115-K119 PolarHBondContact O-N 3.26Å; V116-K119 PolarHBondContact O-N 3.42Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 2.83Å; K119-M122 WeakPolarHBondContact O-CB 3.47Å; K119-M122 PolarHBondContact O-N 2.94Å; K119-E123 PolarHBondContact O-N 3.44Å |
| 120 | A | 97.5 | Very high | 96.2 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 45% | 0.446 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V116 E117 E123 K124 | V116-A120 PolarHBondContact O-N 3.39Å; E117-A120 PolarHBondContact O-N 3.45Å; A120-E123 PolarHBondContact O-N 3.06Å; A120-K124 PolarHBondContact O-N 3.18Å; A120-K124 VanDerWaalsContact O-N 3.14Å |
| 121 | E | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 66.1 Ų | 66.1 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67 | -35.9 | 174.5 | -78.1 | -64.1 | 134.7 | 0 | 0 | 112.3 | E117 I118 K124 L125 | E117-E121 PolarHBondContact O-N 3.32Å; I118-E121 PolarHBondContact O-N 2.84Å; E121-K124 PolarHBondContact O-N 3.25Å; E121-K124 IonicContact OE1-NZ 2.8Å; E121-K124 PolarHBondContact OE1-NZ 3.36Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 VanDerWaalsContact O-CG 3.25Å; E121-L125 WeakPolarHBondContact O-CG 3.29Å; E121-L125 PolarHBondContact O-N 2.94Å |
| 122 | M | 97.8 | Very high | 96 | Very high | 18 Ų | 18 | 68.7 Ų | 68.7 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 173.1 | -74.2 | 174.9 | 63.9 | 0 | 0 | 112 | W43 H46 R47 A50 I118 K119 K124 L125 E126 | W43-M122 VanDerWaalsContact CD1-O 3.28Å; W43-M122 HydrophobicContact CZ2-CE 4.16Å; H46-M122 HydrophobicContact CB-CG 3.51Å; H46-M122 HydrophobicContact CB-SD 4.19Å; R47-M122 HydrophobicContact CB-CE 3.86Å; R47-M122 HydrophobicContact CG-CE 4.37Å; A50-M122 HydrophobicContact CB-SD 4.29Å; I118-M122 HydrophobicContact CG2-CG 4.35Å; I118-M122 HydrophobicContact CG2-SD 4.06Å; I118-M122 VanDerWaalsContact O-CG 3.26Å; I118-M122 WeakPolarHBondContact O-CG 3.33Å; I118-M122 PolarHBondContact O-N 2.97Å; K119-M122 WeakPolarHBondContact O-CB 3.47Å; K119-M122 PolarHBondContact O-N 2.94Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.42Å; M122-L125 PolarHBondContact O-N 2.92Å; M122-E126 WeakPolarHBondContact O-CB 3.46Å; M122-E126 PolarHBondContact O-N 3.33Å |
| 123 | E | 97.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 66.3 Ų | 66.3 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 177.5 | -71.7 | 175.2 | -179 | 0 | 0 | 111.6 | K119 A120 E126 A127 | K119-E123 PolarHBondContact O-N 3.44Å; A120-E123 PolarHBondContact O-N 3.06Å; E123-E126 PolarHBondContact O-N 2.89Å; E123-A127 WeakPolarHBondContact O-CB 3.32Å; E123-A127 PolarHBondContact O-N 3.14Å |
| 124 | K | 97.5 | Very high | 95.7 | Very high | 113 Ų | 113 | 63 Ų | 63 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.2 | -178 | -178.4 | 175.2 | -172.5 | 0 | 112.5 | A120 E121 M122 E126 A127 N128 | A120-K124 PolarHBondContact O-N 3.18Å; A120-K124 VanDerWaalsContact O-N 3.14Å; E121-K124 PolarHBondContact O-N 3.25Å; E121-K124 IonicContact OE1-NZ 2.8Å; E121-K124 PolarHBondContact OE1-NZ 3.36Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.42Å; K124-E126 VanDerWaalsContact C-N 3.35Å; K124-A127 PolarHBondContact O-N 3.35Å; K124-N128 WeakPolarHBondContact O-CB 3.25Å; K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.4Å; K124-N128 PolarHBondContact O-ND2 2.83Å |
| 125 | L | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.5 | -71.5 | 170.9 | 0 | 0 | 0 | 111.7 | Y39 R42 W43 H46 E121 M122 N128 R129 | Y39-L125 HydrophobicContact CD1-CD2 3.76Å; Y39-L125 HydrophobicContact CE1-CD2 4.47Å; R42-L125 HydrophobicContact CB-CD1 3.81Å; R42-L125 HydrophobicContact CB-CD2 4.11Å; W43-L125 HydrophobicContact CB-CB 4.12Å; W43-L125 HydrophobicContact CB-CD1 4.3Å; H46-L125 VanDerWaalsContact CD2-CD1 3.48Å; H46-L125 WeakPolarHBondContact CD2-CD1 3.39Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 VanDerWaalsContact O-CG 3.25Å; E121-L125 WeakPolarHBondContact O-CG 3.29Å; E121-L125 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 2.92Å; L125-N128 PolarHBondContact O-N 3.37Å; L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.45Å; L125-R129 PolarHBondContact O-N 2.9Å |
| 126 | E | 96 | Very high | 95.7 | Very high | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.3 | 178.3 | 159.2 | -150 | 0 | 0 | 111.9 | M122 E123 K124 R129 L130 | M122-E126 WeakPolarHBondContact O-CB 3.46Å; M122-E126 PolarHBondContact O-N 3.33Å; E123-E126 PolarHBondContact O-N 2.89Å; K124-E126 VanDerWaalsContact C-N 3.35Å; E126-R129 PolarHBondContact O-N 3.21Å; E126-R129 IonicContact OE1-NH2 3.94Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; E126-L130 WeakPolarHBondContact O-CB 3.14Å; E126-L130 PolarHBondContact O-N 3.45Å |
| 127 | A | 94.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E123 K124 L130 Q131 | E123-A127 WeakPolarHBondContact O-CB 3.32Å; E123-A127 PolarHBondContact O-N 3.14Å; K124-A127 PolarHBondContact O-N 3.35Å; A127-L130 PolarHBondContact O-N 3.18Å; A127-Q131 WeakPolarHBondContact O-CG 3.25Å; A127-Q131 PolarHBondContact O-N 3.36Å |
| 128 | N | 96.7 | Very high | 95.7 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.3 | -71.6 | -27.8 | 0 | 0 | 0 | 111.9 | Y39 K124 L125 L130 Q131 K132 | Y39-N128 HydrophobicContact CD1-CB 3.98Å; Y39-N128 HydrophobicContact CD2-CB 4.07Å; Y39-N128 HydrophobicContact CE1-CB 3.82Å; Y39-N128 HydrophobicContact CE2-CB 3.91Å; Y39-N128 HydrophobicContact CG-CB 4.12Å; K124-N128 WeakPolarHBondContact O-CB 3.25Å; K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.4Å; K124-N128 PolarHBondContact O-ND2 2.83Å; L125-N128 PolarHBondContact O-N 3.37Å; N128-L130 VanDerWaalsContact C-N 3.31Å; N128-L130 PolarHBondContact O-N 3.04Å; N128-Q131 PolarHBondContact O-N 3.49Å; N128-K132 WeakPolarHBondContact O-CG 3.25Å; N128-K132 PolarHBondContact O-N 3.12Å |
| 129 | R | 96.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 174.4 | -175.4 | -178.1 | 63.6 | -166.8 | -8.1 | 110.8 | V36 D40 L125 E126 K132 L133 | V36-R129 HydrophobicContact CG1-CG 4.21Å; D40-R129 IonicContact OD1-CZ 2.81Å; D40-R129 IonicContact OD1-NH1 2.77Å; D40-R129 PolarHBondContact OD1-NH1 3.44Å; L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.45Å; L125-R129 PolarHBondContact O-N 2.9Å; E126-R129 PolarHBondContact O-N 3.21Å; E126-R129 IonicContact OE1-NH2 3.94Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; R129-K132 PolarHBondContact O-N 3.39Å; R129-L133 VanDerWaalsContact O-CB 3.27Å; R129-L133 WeakPolarHBondContact O-CB 3.33Å; R129-L133 PolarHBondContact O-N 2.69Å |
| 130 | L | 92.5 | Very high | 95.9 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 31% | 0.314 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | -179.4 | -178.7 | 62.1 | 0 | 0 | 0 | 112.2 | V2 E126 A127 N128 K132 L133 I134 | V2-L130 HydrophobicContact CG1-CD1 4.28Å; E126-L130 WeakPolarHBondContact O-CB 3.14Å; E126-L130 PolarHBondContact O-N 3.45Å; A127-L130 PolarHBondContact O-N 3.18Å; N128-L130 VanDerWaalsContact C-N 3.31Å; N128-L130 PolarHBondContact O-N 3.04Å; L130-K132 VanDerWaalsContact C-N 3.25Å; L130-K132 PolarHBondContact O-N 3.37Å; L130-L133 PolarHBondContact O-N 2.69Å; L130-I134 HydrophobicContact CD1-CD1 3.86Å; L130-I134 HydrophobicContact CD1-CG1 3.96Å; L130-I134 HydrophobicContact CD2-CD1 4.49Å; L130-I134 HydrophobicContact CG-CD1 3.8Å; L130-I134 HydrophobicContact CG-CG1 4.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.48Å; L130-I134 PolarHBondContact O-N 2.76Å |
| 131 | Q | 92.3 | Very high | 95.9 | Very high | 102 Ų | 102 | 49 Ų | 49 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 177.6 | -74.7 | -64.2 | -24 | 0 | 0 | 112.7 | A127 N128 Q135 | A127-Q131 WeakPolarHBondContact O-CG 3.25Å; A127-Q131 PolarHBondContact O-N 3.36Å; N128-Q131 PolarHBondContact O-N 3.49Å; Q131-Q135 PolarHBondContact O-NE2 3.09Å |
| 132 | K | 94.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.1 | -45.8 | 174.1 | -57.8 | -60.9 | -176 | 155.5 | 0 | 111.6 | L32 D35 V36 Y39 N128 R129 L130 I134 Q135 | L32-K132 HydrophobicContact CD2-CD 3.77Å; D35-K132 HydrophobicContact CB-CD 4.22Å; D35-K132 HydrophobicContact CB-CG 4Å; D35-K132 VanDerWaalsContact OD2-CE 3.25Å; D35-K132 WeakPolarHBondContact OD2-CE 3.3Å; D35-K132 IonicContact OD2-NZ 3.68Å; D35-K132 PolarHBondContact OD2-NZ 3.27Å; V36-K132 HydrophobicContact CG2-CB 3.58Å; Y39-K132 HydrophobicContact CD2-CG 4.27Å; Y39-K132 HydrophobicContact CE2-CG 4Å; N128-K132 WeakPolarHBondContact O-CG 3.25Å; N128-K132 PolarHBondContact O-N 3.12Å; R129-K132 PolarHBondContact O-N 3.39Å; L130-K132 VanDerWaalsContact C-N 3.25Å; L130-K132 PolarHBondContact O-N 3.37Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 2.64Å; K132-Q135 WeakPolarHBondContact O-CB 3.48Å; K132-Q135 PolarHBondContact O-N 3.14Å; K132-Q135 VanDerWaalsContact O-N 3.09Å |
| 133 | L | 93.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -36.3 | -176.3 | -172.9 | 64.3 | 0 | 0 | 0 | 113.2 | V2 F8 V36 R129 L130 Q135 I136 | V2-L133 HydrophobicContact CB-CD2 3.85Å; V2-L133 HydrophobicContact CB-CG 3.87Å; V2-L133 HydrophobicContact CG1-CB 4.41Å; V2-L133 HydrophobicContact CG1-CD2 3.97Å; V2-L133 HydrophobicContact CG1-CG 3.82Å; V2-L133 HydrophobicContact CG2-CD2 4.21Å; F8-L133 HydrophobicContact CD2-CD1 4.46Å; F8-L133 HydrophobicContact CE1-CD1 4.42Å; F8-L133 HydrophobicContact CE2-CD1 3.48Å; F8-L133 VanDerWaalsContact CE2-CD1 3.48Å; F8-L133 HydrophobicContact CZ-CD1 3.46Å; F8-L133 VanDerWaalsContact CZ-CD1 3.46Å; V36-L133 HydrophobicContact CG1-CD1 4.36Å; V36-L133 HydrophobicContact CG2-CB 4.15Å; V36-L133 HydrophobicContact CG2-CD1 4.46Å; R129-L133 VanDerWaalsContact O-CB 3.27Å; R129-L133 WeakPolarHBondContact O-CB 3.33Å; R129-L133 PolarHBondContact O-N 2.69Å; L130-L133 PolarHBondContact O-N 2.69Å; L133-Q135 PolarHBondContact O-N 3.19Å; L133-I136 PolarHBondContact O-N 2.91Å; L133-I136 VanDerWaalsContact O-N 3.16Å |
| 134 | I | 91.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.179 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.2 | 177.7 | -73 | 168.5 | 0 | 0 | 0 | 112.7 | V2 L130 K132 L240 N371 | V2-I134 HydrophobicContact CG1-CG1 3.81Å; L130-I134 HydrophobicContact CD1-CD1 3.86Å; L130-I134 HydrophobicContact CD1-CG1 3.96Å; L130-I134 HydrophobicContact CD2-CD1 4.49Å; L130-I134 HydrophobicContact CG-CD1 3.8Å; L130-I134 HydrophobicContact CG-CG1 4.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.48Å; L130-I134 PolarHBondContact O-N 2.76Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 2.64Å; I134-L240 HydrophobicContact CG2-CD1 4.17Å; I134-L240 HydrophobicContact CG2-CG 4.32Å; I134-N371 PolarHBondContact O-ND2 3.3Å |
| 135 | Q | 92.5 | Very high | 96 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.9 | -179.8 | -64 | 175.7 | 64.2 | 0 | 0 | 112.9 | L32 Q131 K132 L133 | L32-Q135 HydrophobicContact CD1-CB 3.77Å; Q131-Q135 PolarHBondContact O-NE2 3.09Å; K132-Q135 WeakPolarHBondContact O-CB 3.48Å; K132-Q135 PolarHBondContact O-N 3.14Å; K132-Q135 VanDerWaalsContact O-N 3.09Å; L133-Q135 PolarHBondContact O-N 3.19Å |
| 136 | I | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -88.4 | 122.6 | 179.7 | -59.5 | 176.7 | 0 | 0 | 0 | 108.9 | L3 F8 I19 Q23 L32 V33 V36 L133 Y401 | L3-I136 HydrophobicContact CD1-CG2 3.78Å; F8-I136 HydrophobicContact CE1-CD1 3.69Å; F8-I136 HydrophobicContact CZ-CD1 3.81Å; F8-I136 HydrophobicContact CZ-CG2 4.4Å; I19-I136 HydrophobicContact CG2-CG2 3.76Å; Q23-I136 HydrophobicContact CG-CG2 4.1Å; L32-I136 HydrophobicContact CB-CD1 4.12Å; L32-I136 HydrophobicContact CB-CG1 3.96Å; V33-I136 HydrophobicContact CG2-CD1 4.22Å; V36-I136 HydrophobicContact CG2-CD1 3.87Å; L133-I136 PolarHBondContact O-N 2.91Å; L133-I136 VanDerWaalsContact O-N 3.16Å; I136-Y401 PolarHBondContact O-OH 3.39Å |
| 137 | G | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 163.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3 Q23 N371 | L3-G137 WeakPolarHBondContact CD1-O 3.18Å; Q23-G137 VanDerWaalsContact OE1-N 3.09Å; G137-N371 CarbonylContact C-O 3.56Å; G137-N371 WeakPolarHBondContact CA-O 3.34Å |
| 138 | N | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 161.5 | 175 | -161.6 | 0.4 | 0 | 0 | 0 | 111.4 | S22 R26 I140 N371 A372 C398 T399 Y401 | S22-N138 PolarHBondContact OG-O 3.37Å; R26-N138 PolarHBondContact NE-O 2.84Å; R26-N138 PolarHBondContact NH2-O 3.33Å; N138-I140 PolarHBondContact O-N 2.89Å; N138-N371 WeakPolarHBondContact CB-O 3.39Å; N138-N371 PolarHBondContact N-O 3.45Å; N138-A372 WeakPolarHBondContact CB-O 3.45Å; N138-A372 PolarHBondContact ND2-O 3.41Å; N138-C398 PolarHBondContact ND2-O 3.17Å; N138-T399 PolarHBondContact ND2-OG1 3.37Å; N138-T399 PolarHBondContact OD1-OG1 3.32Å; N138-Y401 HydrophobicContact CB-CD2 3.76Å; N138-Y401 HydrophobicContact CB-CE2 4.29Å; N138-Y401 HydrophobicContact CB-CG 4.11Å |
| 139 | I | 97.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 123.1 | 176.8 | -54.1 | -55 | 0 | 0 | 0 | 109.3 | L3 L18 I19 A374 | L3-I139 HydrophobicContact CD1-CD1 4.07Å; L3-I139 HydrophobicContact CD2-CD1 4.34Å; L3-I139 HydrophobicContact CD2-CG1 4.12Å; L18-I139 HydrophobicContact CD1-CG2 4.47Å; L18-I139 HydrophobicContact CD2-CG2 4.39Å; L18-I139 HydrophobicContact CG-CG2 4.34Å; I19-I139 HydrophobicContact CG1-CD1 4.23Å; I139-A374 WeakPolarHBondContact O-CA 3.46Å; I139-A374 WeakPolarHBondContact O-CB 3.27Å |
| 140 | I | 97.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 134.4 | 179.6 | -66.4 | 164.4 | 0 | 0 | 0 | 110.3 | S22 K25 R26 N138 V144 L369 | S22-I140 PolarHBondContact OG-N 3.27Å; K25-I140 HydrophobicContact CB-CD1 3.51Å; R26-I140 HydrophobicContact CB-CD1 4.47Å; R26-I140 HydrophobicContact CG-CD1 3.4Å; R26-I140 HydrophobicContact CG-CG1 3.97Å; N138-I140 PolarHBondContact O-N 2.89Å; I140-V144 HydrophobicContact CG2-CB 3.47Å; I140-V144 VanDerWaalsContact CG2-CB 3.47Å; I140-V144 HydrophobicContact CG2-CG1 3.8Å; I140-V144 HydrophobicContact CG2-CG2 3.79Å; I140-L369 HydrophobicContact CG1-CD1 4.43Å |
| 141 | H | 98.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -65 | 138.8 | 172.4 | -172.9 | -99.3 | 0 | 0 | 0 | 111.1 | T143 V144 W338 A374 K375 | H141-T143 VanDerWaalsContact CE1-CG2 3.45Å; H141-T143 WeakPolarHBondContact CE1-CG2 3.34Å; H141-T143 PolarHBondContact CE1-OG1 3.46Å; H141-T143 PolarHBondContact ND1-N 2.93Å; H141-T143 PolarHBondContact ND1-OG1 3.24Å; H141-T143 PolarHBondContact O-N 2.98Å; H141-V144 HydrophobicContact CB-CG2 4.21Å; H141-V144 WeakPolarHBondContact O-CB 3.17Å; H141-V144 WeakPolarHBondContact O-CG2 3.32Å; H141-V144 PolarHBondContact O-N 3.1Å; H141-W338 HydrophobicContact CB-CH2 3.62Å; H141-W338 HydrophobicContact CB-CZ2 4.04Å; H141-W338 HydrophobicContact CB-CZ3 4.24Å; H141-W338 AromaticContact CD2-CD2 3.89Å; H141-W338 AromaticContact CD2-CE2 3.51Å; H141-W338 AromaticContact CD2-CH2 3.59Å; H141-W338 AromaticContact CD2-CZ2 3.35Å; H141-W338 WeakPolarHBondContact CD2-CZ2 3.45Å; H141-W338 AromaticContact CD2-CZ3 3.94Å; H141-W338 AromaticContact CG-CH2 3.74Å; H141-W338 AromaticContact CG-CZ2 3.96Å; H141-A374 PolarHBondContact N-O 2.73Å; H141-K375 HydrophobicContact CB-CB 3.97Å; H141-K375 HydrophobicContact CB-CD 4.47Å |
| 142 | P | 97.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 53 Ų | 53 | 81% | 0.812 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.8 | -174.7 | -29 | 35.9 | 0 | 0 | 0 | 116.3 | ||
| 143 | T | 97.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.1 | -178.4 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | H141 R154 K375 | H141-T143 VanDerWaalsContact CE1-CG2 3.45Å; H141-T143 WeakPolarHBondContact CE1-CG2 3.34Å; H141-T143 PolarHBondContact CE1-OG1 3.46Å; H141-T143 PolarHBondContact ND1-N 2.93Å; H141-T143 PolarHBondContact ND1-OG1 3.24Å; H141-T143 PolarHBondContact O-N 2.98Å; T143-R154 PolarHBondContact O-NH1 3.42Å; T143-R154 PolarHBondContact O-NH2 2.96Å; T143-K375 PolarHBondContact OG1-NZ 2.66Å |
| 144 | V | 98.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -70 | 131.2 | -178.7 | 169.8 | 0 | 0 | 0 | 0 | 109.6 | I140 H141 V146 L369 K375 | I140-V144 HydrophobicContact CG2-CB 3.47Å; I140-V144 VanDerWaalsContact CG2-CB 3.47Å; I140-V144 HydrophobicContact CG2-CG1 3.8Å; I140-V144 HydrophobicContact CG2-CG2 3.79Å; H141-V144 HydrophobicContact CB-CG2 4.21Å; H141-V144 WeakPolarHBondContact O-CB 3.17Å; H141-V144 WeakPolarHBondContact O-CG2 3.32Å; H141-V144 PolarHBondContact O-N 3.1Å; V144-V146 PolarHBondContact O-N 2.91Å; V144-L369 HydrophobicContact CG1-CD1 3.98Å; V144-L369 HydrophobicContact CG2-CD1 4.35Å; V144-K375 HydrophobicContact CG2-CB 4.03Å; V144-K375 HydrophobicContact CG2-CG 3.86Å |
| 145 | P | 98.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -66.3 | 129.8 | 175.6 | 24 | -27.4 | 0 | 0 | 0 | 110.5 | S147 R154 C363 V365 S366 | P145-S147 PolarHBondContact O-N 3.05Å; P145-R154 HydrophobicContact CG-CB 4.34Å; P145-C363 WeakPolarHBondContact CD-SG 3.15Å; P145-C363 HydrophobicContact CG-CB 4.49Å; P145-C363 WeakPolarHBondContact CG-O 3.45Å; P145-V365 HydrophobicContact CB-CG1 4.24Å; P145-V365 HydrophobicContact CG-CG1 3.99Å; P145-V365 WeakPolarHBondContact O-CA 3.33Å; P145-S366 PolarHBondContact O-N 3.24Å | ||
| 146 | V | 98.4 | Very high | 97.5 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | trans | -88.5 | 104.3 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | K25 Y27 V144 S366 | K25-V146 HydrophobicContact CB-CG1 4.18Å; K25-V146 HydrophobicContact CB-CG2 4.33Å; K25-V146 HydrophobicContact CD-CG2 4.15Å; K25-V146 HydrophobicContact CG-CG1 4.05Å; K25-V146 HydrophobicContact CG-CG2 3.97Å; Y27-V146 HydrophobicContact CE2-CG1 4.4Å; V144-V146 PolarHBondContact O-N 2.91Å; V146-S366 WeakPolarHBondContact CA-OG 3.5Å | ||
| 147 | S | 98.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | trans | -162.8 | 154.8 | 180 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | Y27 P145 D149 N152 V365 S366 G367 | Y27-S147 WeakPolarHBondContact CE2-O 3.17Å; Y27-S147 WeakPolarHBondContact OH-CA 3.31Å; P145-S147 PolarHBondContact O-N 3.05Å; S147-D149 PolarHBondContact OG-N 3.34Å; S147-D149 VanDerWaalsContact OG-N 3.11Å; S147-D149 PolarHBondContact OG-O 3.02Å; S147-N152 WeakPolarHBondContact OG-CB 3.36Å; S147-N152 PolarHBondContact OG-ND2 3.48Å; S147-V365 WeakPolarHBondContact O-CB 3.22Å; S147-S366 PolarHBondContact N-OG 3.07Å; S147-G367 PolarHBondContact O-N 2.98Å | ||
| 148 | D | 96.8 | Very high | 97.7 | Very high | 87 Ų | 87 | 65.9 Ų | 65.9 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -106.8 | 19.9 | 172.9 | -156.5 | 35.7 | 0 | 0 | 0 | 111.5 | Y27 | Y27-D148 HydrophobicContact CD1-CB 3.72Å; Y27-D148 HydrophobicContact CD2-CB 3.65Å; Y27-D148 HydrophobicContact CE1-CB 3.82Å; Y27-D148 HydrophobicContact CE2-CB 3.8Å; Y27-D148 VanDerWaalsContact CE2-N 3.34Å; Y27-D148 HydrophobicContact CG-CB 3.62Å |
| 149 | D | 97.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 69.1 Ų | 69.1 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | trans | -134.6 | 116.5 | -175.1 | -177.2 | -3.7 | 0 | 0 | 0 | 108.9 | S147 D151 N152 | S147-D149 PolarHBondContact OG-N 3.34Å; S147-D149 VanDerWaalsContact OG-N 3.11Å; S147-D149 PolarHBondContact OG-O 3.02Å; D149-D151 PolarHBondContact O-N 3.26Å; D149-D151 WeakPolarHBondContact OD1-CB 3.31Å; D149-D151 PolarHBondContact OD1-N 3.34Å; D149-N152 WeakPolarHBondContact O-CB 3.32Å; D149-N152 PolarHBondContact O-N 3.5Å; D149-N152 VanDerWaalsContact O-N 3.08Å | ||
| 150 | E | 94.7 | Very high | 97.7 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -60.8 | -25.1 | 179.1 | -71.5 | -169.7 | 147.1 | 0 | 0 | 112.8 | N152 N153 E368 | E150-N152 PolarHBondContact O-N 3.21Å; E150-N152 VanDerWaalsContact O-N 3.14Å; E150-N153 WeakPolarHBondContact O-CB 3.33Å; E150-N153 PolarHBondContact O-N 3.35Å; E150-N153 PolarHBondContact O-ND2 2.89Å; E150-N153 VanDerWaalsContact O-ND2 3.16Å; E150-E368 HydrophobicContact CG-CB 4.27Å; E150-E368 HydrophobicContact CG-CG 3.52Å |
| 151 | D | 95 | Very high | 97.6 | Very high | 147 Ų | 147 | 72.7 Ų | 72.7 | 79% | 0.786 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -64.2 | -19.8 | 176.1 | -75.5 | -17.8 | 0 | 0 | 0 | 111.5 | D149 N153 | D149-D151 PolarHBondContact O-N 3.26Å; D149-D151 WeakPolarHBondContact OD1-CB 3.31Å; D149-D151 PolarHBondContact OD1-N 3.34Å; D151-N153 VanDerWaalsContact C-N 3.33Å |
| 152 | N | 97.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 72.7 Ų | 72.7 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -88.3 | 8.8 | 173.8 | -63.6 | -40.8 | 0 | 0 | 0 | 113.8 | S147 D149 E150 R154 V365 | S147-N152 WeakPolarHBondContact OG-CB 3.36Å; S147-N152 PolarHBondContact OG-ND2 3.48Å; D149-N152 WeakPolarHBondContact O-CB 3.32Å; D149-N152 PolarHBondContact O-N 3.5Å; D149-N152 VanDerWaalsContact O-N 3.08Å; E150-N152 PolarHBondContact O-N 3.21Å; E150-N152 VanDerWaalsContact O-N 3.14Å; N152-R154 PolarHBondContact O-N 2.94Å; N152-V365 HydrophobicContact CB-CG1 4.15Å |
| 153 | N | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 75.1 Ų | 75.1 | 13% | 0.134 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 126.3 | 171.4 | -76.9 | -19.4 | 0 | 0 | 0 | 110.3 | E150 D151 V155 V362 I364 V365 | E150-N153 WeakPolarHBondContact O-CB 3.33Å; E150-N153 PolarHBondContact O-N 3.35Å; E150-N153 PolarHBondContact O-ND2 2.89Å; E150-N153 VanDerWaalsContact O-ND2 3.16Å; D151-N153 VanDerWaalsContact C-N 3.33Å; N153-V155 PolarHBondContact O-N 3.48Å; N153-V362 HydrophobicContact CB-CB 4.26Å; N153-I364 WeakPolarHBondContact OD1-CA 3.49Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.31Å; N153-V365 PolarHBondContact OD1-N 2.87Å |
| 154 | R | 98.3 | Very high | 97.1 | Very high | 106 Ų | 106 | 75.6 Ų | 75.6 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.7 | -178.2 | -177.1 | 174.9 | 68 | -140.4 | -7.8 | 110 | T143 P145 N152 E156 V362 C363 | T143-R154 PolarHBondContact O-NH1 3.42Å; T143-R154 PolarHBondContact O-NH2 2.96Å; P145-R154 HydrophobicContact CG-CB 4.34Å; N152-R154 PolarHBondContact O-N 2.94Å; R154-E156 IonicContact CZ-OE1 3.67Å; R154-E156 IonicContact NE-OE1 2.76Å; R154-E156 PolarHBondContact NE-OE1 2.85Å; R154-E156 IonicContact NE-OE2 3.82Å; R154-E156 IonicContact NH2-OE1 3.57Å; R154-E156 PolarHBondContact NH2-OE1 3.06Å; R154-E156 PolarHBondContact O-N 3Å; R154-V362 CarbonylContact O-C 3.57Å; R154-V362 WeakPolarHBondContact O-CA 3.48Å; R154-C363 PolarHBondContact N-O 3.1Å; R154-C363 PolarHBondContact O-N 2.91Å |
| 155 | V | 98.4 | Very high | 97 | Very high | 63 Ų | 63 | 82.4 Ų | 82.4 | 38% | 0.382 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 120.8 | 171.9 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | N153 I158 R360 V362 | N153-V155 PolarHBondContact O-N 3.48Å; V155-I158 HydrophobicContact CG1-CD1 4.14Å; V155-I158 HydrophobicContact CG1-CG1 3.81Å; V155-R360 HydrophobicContact CG1-CB 4.28Å; V155-V362 HydrophobicContact CG2-CG1 4.18Å |
| 156 | E | 98.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 84.7 Ų | 84.7 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -44.9 | -179.2 | -62 | -68 | 169.7 | 0 | 0 | 111.7 | R154 I361 C363 L377 | R154-E156 IonicContact CZ-OE1 3.67Å; R154-E156 IonicContact NE-OE1 2.76Å; R154-E156 PolarHBondContact NE-OE1 2.85Å; R154-E156 IonicContact NE-OE2 3.82Å; R154-E156 IonicContact NH2-OE1 3.57Å; R154-E156 PolarHBondContact NH2-OE1 3.06Å; R154-E156 PolarHBondContact O-N 3Å; E156-I361 HydrophobicContact CB-CB 4.33Å; E156-I361 HydrophobicContact CB-CG2 4.13Å; E156-I361 HydrophobicContact CG-CG2 4.49Å; E156-I361 PolarHBondContact N-O 3.22Å; E156-C363 HydrophobicContact CG-CB 4.1Å; E156-C363 WeakPolarHBondContact OE1-CB 3.35Å; E156-L377 HydrophobicContact CG-CD2 4.16Å |
| 157 | R | 98.2 | Very high | 96.7 | Very high | 92 Ų | 92 | 88.1 Ų | 88.1 | 35% | 0.347 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151.7 | -175.1 | -61.3 | -172.2 | -78 | -156.2 | 1.3 | 110.9 | D346 E349 R360 I361 | R157-D346 IonicContact CZ-OD1 2.82Å; R157-D346 VanDerWaalsContact CZ-OD1 3.23Å; R157-D346 IonicContact NH1-OD1 3.32Å; R157-D346 PolarHBondContact NH1-OD1 3.38Å; R157-D346 IonicContact NH2-OD1 3.32Å; R157-D346 PolarHBondContact NH2-OD1 2.97Å; R157-E349 IonicContact CZ-OE1 3.08Å; R157-E349 IonicContact NE-OE1 2.74Å; R157-E349 PolarHBondContact NE-OE1 3.43Å; R157-E349 IonicContact NE-OE2 3.79Å; R157-E349 IonicContact NH1-OE1 2.81Å; R157-E349 IonicContact NH2-OE1 2.66Å; R157-E349 PolarHBondContact NH2-OE1 3.43Å; R157-R360 CarbonylContact O-C 3.49Å; R157-R360 VanDerWaalsContact O-CA 3.24Å; R157-R360 WeakPolarHBondContact O-CA 3.43Å; R157-I361 HydrophobicContact CB-CB 4.17Å; R157-I361 HydrophobicContact CB-CG1 4.11Å; R157-I361 PolarHBondContact O-N 3.03Å |
| 158 | I | 98.3 | Very high | 96.6 | Very high | 102 Ų | 102 | 88.8 Ų | 88.8 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 138.5 | 174.3 | -60.2 | 177.2 | 0 | 0 | 0 | 108.5 | V155 I162 R360 | V155-I158 HydrophobicContact CG1-CD1 4.14Å; V155-I158 HydrophobicContact CG1-CG1 3.81Å; I158-I162 HydrophobicContact CD1-CD1 4.47Å; I158-I162 HydrophobicContact CG2-CD1 4Å; I158-I162 HydrophobicContact CG2-CG2 4.19Å; I158-R360 HydrophobicContact CG1-CB 4.23Å |
| 159 | F | 98.6 | Very high | 96.6 | Very high | 71 Ų | 71 | 85.7 Ų | 85.7 | 31% | 0.311 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.4 | 176.9 | 174.9 | -98.4 | 0 | 0 | 0 | 111.6 | K353 P358 F359 | F159-K353 HydrophobicContact CD1-CG 3.95Å; F159-K353 HydrophobicContact CD2-CD 4.4Å; F159-K353 HydrophobicContact CD2-CG 3.96Å; F159-K353 HydrophobicContact CE1-CB 4.2Å; F159-K353 HydrophobicContact CE1-CG 3.77Å; F159-K353 HydrophobicContact CE2-CD 4.35Å; F159-K353 HydrophobicContact CE2-CG 3.77Å; F159-K353 HydrophobicContact CG-CG 4.05Å; F159-K353 HydrophobicContact CZ-CB 4.04Å; F159-K353 HydrophobicContact CZ-CG 3.67Å; F159-P358 CarbonylContact O-C 3.49Å; F159-P358 VanDerWaalsContact O-CA 3.28Å; F159-P358 WeakPolarHBondContact O-CA 3.49Å; F159-F359 HydrophobicContact CB-CD1 4.15Å; F159-F359 HydrophobicContact CB-CD2 4.26Å; F159-F359 HydrophobicContact CB-CE1 3.76Å; F159-F359 HydrophobicContact CB-CE2 3.88Å; F159-F359 HydrophobicContact CB-CG 4.38Å; F159-F359 HydrophobicContact CB-CZ 3.61Å; F159-F359 AromaticContact CD1-CD1 3.85Å; F159-F359 HydrophobicContact CD1-CD1 3.85Å; F159-F359 AromaticContact CD1-CE1 3.49Å; F159-F359 HydrophobicContact CD1-CE1 3.49Å; F159-F359 VanDerWaalsContact CD1-CE1 3.49Å; F159-F359 HydrophobicContact CD1-CZ 4.16Å; F159-F359 HydrophobicContact CE1-CE1 4.39Å; F159-F359 HydrophobicContact CG-CD1 4.41Å; F159-F359 AromaticContact CG-CE1 3.85Å; F159-F359 HydrophobicContact CG-CE1 3.85Å; F159-F359 HydrophobicContact CG-CZ 4.04Å; F159-F359 PolarHBondContact N-O 3.43Å; F159-F359 PolarHBondContact O-N 2.87Å |
| 160 | G | 97.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 82.6 Ų | 82.6 | 54% | 0.536 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 78.7 | -169.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 161 | D | 95.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | trans | -88.3 | 109.9 | 177.8 | 179.9 | 4.5 | 0 | 0 | 0 | 111.4 | K163 T164 P358 | D161-K163 PolarHBondContact OD1-N 2.85Å; D161-T164 PolarHBondContact OD1-N 2.92Å; D161-T164 VanDerWaalsContact OD1-N 3.13Å; D161-T164 WeakPolarHBondContact OD2-CB 3.38Å; D161-T164 PolarHBondContact OD2-OG1 3.01Å; D161-P358 VanDerWaalsContact O-CB 3.29Å; D161-P358 WeakPolarHBondContact O-CB 3.28Å; D161-P358 WeakPolarHBondContact O-CG 3.42Å | ||
| 162 | I | 94.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -102.6 | 9.4 | -178.5 | 60.5 | 162.9 | 0 | 0 | 0 | 112.8 | I158 P358 W382 Y389 | I158-I162 HydrophobicContact CD1-CD1 4.47Å; I158-I162 HydrophobicContact CG2-CD1 4Å; I158-I162 HydrophobicContact CG2-CG2 4.19Å; I162-P358 HydrophobicContact CG2-CB 4.2Å; I162-W382 HydrophobicContact CB-CB 4.43Å; I162-W382 HydrophobicContact CB-CD2 4.5Å; I162-W382 HydrophobicContact CB-CG 4.3Å; I162-W382 HydrophobicContact CG2-CB 4.16Å; I162-W382 VanDerWaalsContact O-CE2 3.22Å; I162-W382 WeakPolarHBondContact O-CZ2 3.45Å; I162-Y389 VanDerWaalsContact CB-OH 3.28Å; I162-Y389 WeakPolarHBondContact CB-OH 3.24Å; I162-Y389 WeakPolarHBondContact CD1-OH 3.28Å; I162-Y389 HydrophobicContact CG2-CE1 4.15Å; I162-Y389 VanDerWaalsContact CG2-OH 3.23Å; I162-Y389 WeakPolarHBondContact CG2-OH 3.44Å |
| 163 | K | 93.9 | Very high | 96.5 | Very high | 176 Ų | 176 | 67.7 Ų | 67.7 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -111.1 | -33.5 | -175.7 | -64.4 | -176.7 | -178.6 | 178.2 | 0 | 112.2 | D161 K165 | D161-K163 PolarHBondContact OD1-N 2.85Å; K163-K165 PolarHBondContact O-N 3.04Å |
| 164 | T | 93.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | trans | -58.9 | 132.1 | 179.8 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | D161 K166 W382 P384 | D161-T164 PolarHBondContact OD1-N 2.92Å; D161-T164 VanDerWaalsContact OD1-N 3.13Å; D161-T164 WeakPolarHBondContact OD2-CB 3.38Å; D161-T164 PolarHBondContact OD2-OG1 3.01Å; T164-K166 HydrophobicContact CG2-CG 4.3Å; T164-W382 PolarHBondContact O-NE1 3.2Å; T164-P384 VanDerWaalsContact O-CB 3.24Å; T164-P384 WeakPolarHBondContact O-CB 3.44Å | ||
| 165 | K | 96 | Very high | 96.3 | Very high | 150 Ų | 150 | 63.1 Ų | 63.1 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | trans | -108.8 | 146.6 | 171.1 | -61.9 | -175 | -177.5 | -173.1 | 0 | 109.3 | K163 P384 A387 | K163-K165 PolarHBondContact O-N 3.04Å; K165-P384 CarbonylContact C-O 3.56Å; K165-P384 VanDerWaalsContact CA-O 3.23Å; K165-P384 WeakPolarHBondContact CA-O 3.43Å; K165-A387 HydrophobicContact CD-CB 3.97Å; K165-A387 HydrophobicContact CG-CB 4.23Å | ||
| 166 | K | 96.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | trans | -125.2 | 167.1 | 178.4 | -68.8 | -164 | 176.1 | -169.7 | 0 | 110.9 | T164 P384 E442 N443 Q445 | T164-K166 HydrophobicContact CG2-CG 4.3Å; K166-P384 HydrophobicContact CB-CB 4.16Å; K166-P384 HydrophobicContact CB-CG 4.37Å; K166-P384 HydrophobicContact CD-CG 4.34Å; K166-P384 HydrophobicContact CG-CB 4.04Å; K166-P384 HydrophobicContact CG-CG 4.24Å; K166-P384 PolarHBondContact N-O 3.31Å; K166-E442 WeakPolarHBondContact CD-O 3Å; K166-N443 PolarHBondContact NZ-O 2.91Å; K166-Q445 HydrophobicContact CB-CG 4.03Å; K166-Q445 VanDerWaalsContact CB-NE2 3.31Å; K166-Q445 HydrophobicContact CD-CG 3.53Å; K166-Q445 HydrophobicContact CG-CG 4.42Å; K166-Q445 PolarHBondContact NZ-O 3.15Å | ||
| 167 | K | 94.9 | Very high | 96.2 | Very high | 149 Ų | 149 | 56.8 Ų | 56.8 | 65% | 0.648 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68.9 | -49.3 | -164.2 | -175.3 | 176.3 | 177.3 | -165.5 | 0 | 113.2 | E477 | K167-E477 IonicContact NZ-OE1 3.73Š|
| 168 | Y | 96.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | trans | -110.6 | 145.3 | -171.1 | -59.5 | -72.2 | 0 | 0 | 0 | 111.7 | D172 L173 M176 G385 Q445 A474 E477 | Y168-D172 HydrophobicContact CD1-CB 4.24Å; Y168-L173 HydrophobicContact CD2-CD2 4.14Å; Y168-L173 HydrophobicContact CG-CD2 4.24Å; Y168-M176 HydrophobicContact CD1-SD 4.19Å; Y168-M176 HydrophobicContact CD2-CE 4.15Å; Y168-M176 HydrophobicContact CD2-SD 4.06Å; Y168-M176 HydrophobicContact CE1-SD 4.25Å; Y168-M176 HydrophobicContact CE2-CE 3.74Å; Y168-M176 HydrophobicContact CE2-SD 4.12Å; Y168-M176 HydrophobicContact CG-SD 4.09Å; Y168-G385 WeakPolarHBondContact O-CA 3.49Å; Y168-Q445 PolarHBondContact O-NE2 3.12Å; Y168-A474 HydrophobicContact CD1-CB 4.09Å; Y168-A474 HydrophobicContact CE1-CB 3.53Å; Y168-E477 PolarHBondContact OH-OE1 3.4Å | ||
| 169 | S | 95.8 | Very high | 96 | Very high | 21 Ų | 21 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | trans | -78.4 | 161.5 | 168.6 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | I171 D172 L173 | S169-I171 PolarHBondContact O-N 3.24Å; S169-I171 PolarHBondContact OG-N 2.88Å; S169-D172 PolarHBondContact O-N 3.24Å; S169-D172 VanDerWaalsContact O-N 3.15Å; S169-D172 PolarHBondContact OG-OD2 3.29Å; S169-L173 VanDerWaalsContact O-CG 3.3Å; S169-L173 WeakPolarHBondContact O-CG 3.41Å; S169-L173 PolarHBondContact O-N 3.16Å; S169-L173 VanDerWaalsContact O-N 3.12Å | ||
| 170 | H | 96.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.4 | -26.5 | 175.3 | 63.8 | -84.7 | 0 | 0 | 0 | 113.3 | L173 C174 C438 E442 | H170-L173 PolarHBondContact O-N 3.41Å; H170-C174 WeakPolarHBondContact O-CB 3.17Å; H170-C174 PolarHBondContact O-N 3.13Å; H170-C174 PolarHBondContact O-SG 2.94Å; H170-C438 HydrophobicContact CB-CB 3.64Å; H170-C438 PolarHBondContact CD2-SG 3.11Å; H170-E442 HydrophobicContact CB-CG 3.98Å; H170-E442 IonicContact CG-OE1 2.66Å; H170-E442 VanDerWaalsContact N-CG 3.34Å; H170-E442 PolarHBondContact N-OE1 2.96Å; H170-E442 IonicContact ND1-OE1 2.8Å; H170-E442 PolarHBondContact ND1-OE1 3.04Å |
| 171 | I | 94.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -50.4 | 178.5 | -60.7 | 166.2 | 0 | 0 | 0 | 110.2 | S169 R313 | S169-I171 PolarHBondContact O-N 3.24Å; S169-I171 PolarHBondContact OG-N 2.88Å; I171-R313 HydrophobicContact CD1-CB 3.91Å; I171-R313 HydrophobicContact CG1-CB 4.25Å; I171-R313 HydrophobicContact CG2-CB 3.98Å |
| 172 | D | 94.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.4 | -41.6 | 179.3 | -59.7 | -73.1 | 0 | 0 | 0 | 111.1 | Y168 S169 C174 V175 M176 A474 I476 | Y168-D172 HydrophobicContact CD1-CB 4.24Å; S169-D172 PolarHBondContact O-N 3.24Å; S169-D172 VanDerWaalsContact O-N 3.15Å; S169-D172 PolarHBondContact OG-OD2 3.29Å; D172-C174 VanDerWaalsContact C-N 3.32Å; D172-C174 PolarHBondContact O-N 3.36Å; D172-V175 WeakPolarHBondContact O-CA 3.28Å; D172-V175 WeakPolarHBondContact O-CB 3.45Å; D172-V175 PolarHBondContact O-N 3.3Å; D172-M176 HydrophobicContact CB-SD 4.42Å; D172-M176 VanDerWaalsContact O-CG 3.3Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.46Å; D172-A474 HydrophobicContact CB-CB 4.48Å; D172-I476 WeakPolarHBondContact OD1-CG1 3.39Å; D172-I476 PolarHBondContact OD1-N 3.23Å; D172-I476 WeakPolarHBondContact OD2-CD1 3.35Å |
| 173 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | -177.5 | -65.4 | 171.3 | 0 | 0 | 0 | 112.1 | Y168 S169 H170 V175 M176 I177 L441 E442 Q445 I450 F470 | Y168-L173 HydrophobicContact CD2-CD2 4.14Å; Y168-L173 HydrophobicContact CG-CD2 4.24Å; S169-L173 VanDerWaalsContact O-CG 3.3Å; S169-L173 WeakPolarHBondContact O-CG 3.41Å; S169-L173 PolarHBondContact O-N 3.16Å; S169-L173 VanDerWaalsContact O-N 3.12Å; H170-L173 PolarHBondContact O-N 3.41Å; L173-V175 PolarHBondContact O-N 2.7Å; L173-M176 HydrophobicContact CD2-SD 4.25Å; L173-M176 PolarHBondContact O-N 3.44Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 2.98Å; L173-L441 HydrophobicContact CB-CB 4.12Å; L173-L441 HydrophobicContact CB-CD1 4.39Å; L173-L441 HydrophobicContact CD1-CB 3.98Å; L173-L441 WeakPolarHBondContact CD1-O 3.34Å; L173-E442 HydrophobicContact CD1-CG 4.16Å; L173-Q445 HydrophobicContact CD1-CB 4.1Å; L173-Q445 HydrophobicContact CD2-CB 3.99Å; L173-I450 HydrophobicContact CB-CD1 4.4Å; L173-I450 HydrophobicContact CD1-CD1 4.27Å; L173-I450 HydrophobicContact CD2-CD1 3.85Å; L173-I450 HydrophobicContact CG-CD1 4.4Å; L173-F470 HydrophobicContact CD2-CE1 3.82Å; L173-F470 HydrophobicContact CD2-CZ 3.71Å |
| 174 | C | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -36.6 | 174.3 | -74 | 0 | 0 | 0 | 0 | 112.4 | H170 D172 G179 F180 L200 L441 | H170-C174 WeakPolarHBondContact O-CB 3.17Å; H170-C174 PolarHBondContact O-N 3.13Å; H170-C174 PolarHBondContact O-SG 2.94Å; D172-C174 VanDerWaalsContact C-N 3.32Å; D172-C174 PolarHBondContact O-N 3.36Å; C174-G179 PolarHBondContact O-N 3.31Å; C174-F180 HydrophobicContact CB-CB 3.74Å; C174-F180 HydrophobicContact CB-CG 4.29Å; C174-F180 PolarHBondContact O-N 2.99Å; C174-L200 HydrophobicContact CB-CD1 4.43Å; C174-L441 WeakPolarHBondContact SG-CD1 3.44Å |
| 175 | V | 95.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.7 | -44.1 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | D172 L173 I177 D178 F180 K472 | D172-V175 WeakPolarHBondContact O-CA 3.28Å; D172-V175 WeakPolarHBondContact O-CB 3.45Å; D172-V175 PolarHBondContact O-N 3.3Å; L173-V175 PolarHBondContact O-N 2.7Å; V175-I177 VanDerWaalsContact C-N 3.28Å; V175-I177 PolarHBondContact O-N 2.7Å; V175-D178 WeakPolarHBondContact O-CA 3.27Å; V175-D178 PolarHBondContact O-N 3.32Å; V175-F180 HydrophobicContact CG2-CD1 4.33Å; V175-K472 HydrophobicContact CG1-CD 4.5Å; V175-K472 WeakPolarHBondContact O-CD 3.37Å |
| 176 | M | 97 | Very high | 95.7 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -34.7 | -176.5 | -69.8 | 169.8 | 71.4 | 0 | 0 | 112.7 | Y168 D172 L173 D178 F470 I471 K472 A474 | Y168-M176 HydrophobicContact CD1-SD 4.19Å; Y168-M176 HydrophobicContact CD2-CE 4.15Å; Y168-M176 HydrophobicContact CD2-SD 4.06Å; Y168-M176 HydrophobicContact CE1-SD 4.25Å; Y168-M176 HydrophobicContact CE2-CE 3.74Å; Y168-M176 HydrophobicContact CE2-SD 4.12Å; Y168-M176 HydrophobicContact CG-SD 4.09Å; D172-M176 HydrophobicContact CB-SD 4.42Å; D172-M176 VanDerWaalsContact O-CG 3.3Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.46Å; L173-M176 HydrophobicContact CD2-SD 4.25Å; L173-M176 PolarHBondContact O-N 3.44Å; M176-D178 VanDerWaalsContact C-N 3.28Å; M176-F470 HydrophobicContact CB-CB 4.42Å; M176-F470 HydrophobicContact CB-CD1 3.48Å; M176-F470 VanDerWaalsContact CB-CD1 3.48Å; M176-F470 HydrophobicContact CB-CE1 3.96Å; M176-F470 HydrophobicContact CB-CG 4.1Å; M176-F470 HydrophobicContact CE-CB 4.43Å; M176-F470 HydrophobicContact CE-CD1 3.9Å; M176-F470 HydrophobicContact CE-CD2 3.57Å; M176-F470 HydrophobicContact CE-CE1 3.98Å; M176-F470 HydrophobicContact CE-CE2 3.64Å; M176-F470 HydrophobicContact CE-CG 3.72Å; M176-F470 HydrophobicContact CE-CZ 3.86Å; M176-F470 CarbonylContact O-C 3.53Å; M176-F470 WeakPolarHBondContact O-CA 3.1Å; M176-F470 HydrophobicContact SD-CE1 4.42Å; M176-I471 PolarHBondContact O-N 2.81Å; M176-K472 WeakPolarHBondContact CA-O 3.49Å; M176-K472 PolarHBondContact O-N 2.89Å; M176-A474 HydrophobicContact CE-CB 4.47Å; M176-A474 HydrophobicContact CG-CB 4.09Å; M176-A474 HydrophobicContact SD-CB 3.72Å |
| 177 | I | 97.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.1 | 174.7 | 69.7 | -176 | 0 | 0 | 0 | 113.5 | L173 V175 G179 P199 L200 L441 I450 I468 F470 | L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 2.98Å; V175-I177 VanDerWaalsContact C-N 3.28Å; V175-I177 PolarHBondContact O-N 2.7Å; I177-G179 PolarHBondContact O-N 2.96Å; I177-P199 HydrophobicContact CB-CG 4.37Å; I177-P199 HydrophobicContact CD1-CG 4.45Å; I177-P199 HydrophobicContact CG1-CG 4.34Å; I177-P199 WeakPolarHBondContact O-CG 3.44Å; I177-L200 HydrophobicContact CD1-CD1 4.08Å; I177-L200 HydrophobicContact CD1-CD2 3.58Å; I177-L200 HydrophobicContact CD1-CG 3.64Å; I177-L441 HydrophobicContact CD1-CD2 3.66Å; I177-I450 HydrophobicContact CG2-CG1 3.92Å; I177-I468 HydrophobicContact CB-CG2 3.79Å; I177-I468 HydrophobicContact CD1-CG2 4.28Å; I177-I468 HydrophobicContact CG2-CG2 3.77Å; I177-F470 HydrophobicContact CG2-CD1 3.7Å; I177-F470 HydrophobicContact CG2-CE1 3.92Å |
| 178 | D | 96.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 40 Ų | 40 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 40.3 | -173 | -169 | 30 | 0 | 0 | 0 | 112.9 | V175 M176 K197 I471 K472 | V175-D178 WeakPolarHBondContact O-CA 3.27Å; V175-D178 PolarHBondContact O-N 3.32Å; M176-D178 VanDerWaalsContact C-N 3.28Å; D178-K197 VanDerWaalsContact O-CD 3.22Å; D178-K197 WeakPolarHBondContact O-CD 3.44Å; D178-K197 WeakPolarHBondContact O-CE 3.24Å; D178-K197 VanDerWaalsContact O-CG 3.23Å; D178-K197 WeakPolarHBondContact O-CG 3.41Å; D178-K197 IonicContact OD1-NZ 2.69Å; D178-K197 PolarHBondContact OD1-NZ 3.07Å; D178-K197 WeakPolarHBondContact OD2-CE 3.43Å; D178-K197 IonicContact OD2-NZ 3.64Å; D178-K197 PolarHBondContact OD2-NZ 2.58Å; D178-I471 HydrophobicContact CB-CD1 3.52Å; D178-I471 HydrophobicContact CB-CG1 3.67Å; D178-K472 HydrophobicContact CB-CD 3.99Å; D178-K472 HydrophobicContact CB-CG 4.48Å; D178-K472 VanDerWaalsContact OD1-CE 3.28Å; D178-K472 WeakPolarHBondContact OD1-CE 3.45Å; D178-K472 IonicContact OD1-NZ 3.51Å; D178-K472 PolarHBondContact OD1-NZ 2.99Å |
| 179 | G | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -95.5 | -10.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C174 I177 K197 | C174-G179 PolarHBondContact O-N 3.31Å; I177-G179 PolarHBondContact O-N 2.96Å; G179-K197 VanDerWaalsContact C-CG 3.47Å; G179-K197 WeakPolarHBondContact CA-O 3.42Å; G179-K197 WeakPolarHBondContact O-CG 3.36Å; G179-K197 PolarHBondContact O-N 3.21Å | ||
| 180 | F | 96.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.1 | -170.5 | 165.7 | -98.5 | 0 | 0 | 0 | 111.6 | C174 V175 Y194 F195 I315 | C174-F180 HydrophobicContact CB-CB 3.74Å; C174-F180 HydrophobicContact CB-CG 4.29Å; C174-F180 PolarHBondContact O-N 2.99Å; V175-F180 HydrophobicContact CG2-CD1 4.33Å; F180-Y194 HydrophobicContact CE2-CG 4.44Å; F180-F195 WeakPolarHBondContact CA-O 3.11Å; F180-I315 HydrophobicContact CD2-CG2 3.42Å; F180-I315 VanDerWaalsContact CD2-CG2 3.42Å; F180-I315 HydrophobicContact CE2-CG2 3.55Å |
| 181 | D | 95.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 94.8 | 171.4 | -169.3 | -23.9 | 0 | 0 | 0 | 110.4 | D183 R184 G185 F195 | D181-D183 PolarHBondContact OD1-N 2.85Å; D181-R184 WeakPolarHBondContact OD1-CB 3.41Å; D181-R184 WeakPolarHBondContact OD1-CG 3.33Å; D181-R184 PolarHBondContact OD1-N 2.81Å; D181-R184 WeakPolarHBondContact OD2-CD 3.46Å; D181-R184 WeakPolarHBondContact OD2-CG 3.33Å; D181-R184 IonicContact OD2-CZ 2.75Å; D181-R184 IonicContact OD2-NE 3.55Å; D181-R184 IonicContact OD2-NH1 3.63Å; D181-R184 PolarHBondContact OD2-NH1 3.41Å; D181-G185 PolarHBondContact O-N 3.35Å; D181-F195 HydrophobicContact CB-CB 4.26Å; D181-F195 PolarHBondContact N-O 3.21Å; D181-F195 PolarHBondContact O-N 3.02Å |
| 182 | G | 93 | Very high | 95.4 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -81.5 | -27.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G185 T186 | G182-G185 PolarHBondContact O-N 3.33Å; G182-T186 WeakPolarHBondContact O-CB 3.31Å; G182-T186 PolarHBondContact O-N 3.2Å; G182-T186 PolarHBondContact O-OG1 3.1Å |
| 183 | D | 92.9 | Very high | 95.4 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.2 | -48.6 | -179.8 | -69.6 | -22.5 | 0 | 0 | 0 | 110.2 | D181 G185 T186 S187 | D181-D183 PolarHBondContact OD1-N 2.85Å; D183-G185 VanDerWaalsContact C-N 3.31Å; D183-G185 PolarHBondContact O-N 2.73Å; D183-T186 PolarHBondContact O-N 3.44Å; D183-S187 PolarHBondContact O-N 3.01Å |
| 184 | R | 95.9 | Very high | 95.4 | Very high | 164 Ų | 164 | 47.5 Ų | 47.5 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | 173.3 | -66.6 | -169.8 | -178.9 | 123.4 | -8.9 | 111.7 | D181 S187 V188 F195 | D181-R184 WeakPolarHBondContact OD1-CB 3.41Å; D181-R184 WeakPolarHBondContact OD1-CG 3.33Å; D181-R184 PolarHBondContact OD1-N 2.81Å; D181-R184 WeakPolarHBondContact OD2-CD 3.46Å; D181-R184 WeakPolarHBondContact OD2-CG 3.33Å; D181-R184 IonicContact OD2-CZ 2.75Å; D181-R184 IonicContact OD2-NE 3.55Å; D181-R184 IonicContact OD2-NH1 3.63Å; D181-R184 PolarHBondContact OD2-NH1 3.41Å; R184-S187 PolarHBondContact O-N 2.91Å; R184-V188 WeakPolarHBondContact O-CG2 3.4Å; R184-V188 PolarHBondContact O-N 2.92Å; R184-V188 VanDerWaalsContact O-N 3.11Å; R184-F195 HydrophobicContact CB-CD2 4.05Å; R184-F195 HydrophobicContact CB-CE2 4.22Å |
| 185 | G | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D181 G182 D183 S187 V188 A189 G193 | D181-G185 PolarHBondContact O-N 3.35Å; G182-G185 PolarHBondContact O-N 3.33Å; D183-G185 VanDerWaalsContact C-N 3.31Å; D183-G185 PolarHBondContact O-N 2.73Å; G185-S187 VanDerWaalsContact C-N 3.35Å; G185-S187 PolarHBondContact O-N 2.83Å; G185-V188 PolarHBondContact O-N 3.4Å; G185-A189 PolarHBondContact O-N 3.04Å; G185-G193 VanDerWaalsContact C-C 3.48Å; G185-G193 CarbonylContact C-O 3.41Å; G185-G193 WeakPolarHBondContact CA-O 3.41Å |
| 186 | T | 94.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | G182 D183 V188 G190 G193 | G182-T186 WeakPolarHBondContact O-CB 3.31Å; G182-T186 PolarHBondContact O-N 3.2Å; G182-T186 PolarHBondContact O-OG1 3.1Å; D183-T186 PolarHBondContact O-N 3.44Å; T186-V188 VanDerWaalsContact C-N 3.25Å; T186-V188 PolarHBondContact O-N 3.1Å; T186-G190 VanDerWaalsContact CA-O 3.31Å; T186-G190 WeakPolarHBondContact CA-O 3.34Å; T186-G190 VanDerWaalsContact O-CA 3.27Å; T186-G190 WeakPolarHBondContact O-CA 3.29Å; T186-G190 PolarHBondContact O-N 2.95Å; T186-G193 PolarHBondContact N-O 3.27Å |
| 187 | S | 97 | Very high | 95.7 | Very high | 107 Ų | 107 | 55 Ų | 55 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.6 | -28.9 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 113.6 | D183 R184 G185 | D183-S187 PolarHBondContact O-N 3.01Å; R184-S187 PolarHBondContact O-N 2.91Å; G185-S187 VanDerWaalsContact C-N 3.35Å; G185-S187 PolarHBondContact O-N 2.83Å |
| 188 | V | 97.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 56.5 Ų | 56.5 | 65% | 0.648 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -94.9 | -44.6 | -175.2 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | R184 G185 T186 F195 | R184-V188 WeakPolarHBondContact O-CG2 3.4Å; R184-V188 PolarHBondContact O-N 2.92Å; R184-V188 VanDerWaalsContact O-N 3.11Å; G185-V188 PolarHBondContact O-N 3.4Å; T186-V188 VanDerWaalsContact C-N 3.25Å; T186-V188 PolarHBondContact O-N 3.1Å; V188-F195 HydrophobicContact CB-CE2 4.22Å; V188-F195 HydrophobicContact CB-CZ 4.48Å; V188-F195 HydrophobicContact CG1-CZ 4.43Å; V188-F195 HydrophobicContact CG2-CE2 4.02Å; V188-F195 HydrophobicContact CG2-CZ 4.24Å |
| 189 | A | 95.9 | Very high | 95.7 | Very high | 79 Ų | 79 | 55.2 Ų | 55.2 | 65% | 0.653 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -113.2 | -0.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G185 | G185-A189 PolarHBondContact O-N 3.04Å |
| 190 | G | 93.7 | Very high | 95.8 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 83.1 | -172.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | T186 G193 | T186-G190 VanDerWaalsContact CA-O 3.31Å; T186-G190 WeakPolarHBondContact CA-O 3.34Å; T186-G190 VanDerWaalsContact O-CA 3.27Å; T186-G190 WeakPolarHBondContact O-CA 3.29Å; T186-G190 PolarHBondContact O-N 2.95Å; G190-G193 PolarHBondContact O-N 3.29Å |
| 191 | G | 91.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 142.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G193 H319 | G191-G193 PolarHBondContact O-N 3.31Å; G191-G193 VanDerWaalsContact O-N 3.13Å; G191-H319 PolarHBondContact O-CD2 2.67Å; G191-H319 PolarHBondContact O-NE2 2.91Å |
| 192 | R | 91.8 | Very high | 96 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 15% | 0.151 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 7.4 | -173.5 | -58.8 | 177.9 | 171.7 | 169.1 | 0.8 | 115.4 | S307 R310 | R192-S307 PolarHBondContact NH1-OG 2.87Å; R192-S307 PolarHBondContact NH2-O 2.83Å; R192-S307 PolarHBondContact NH2-OG 3.26Å; R192-R310 PolarHBondContact NH2-O 3.34Å |
| 193 | G | 95.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | trans | -65.3 | 141.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G185 T186 G190 G191 | G185-G193 VanDerWaalsContact C-C 3.48Å; G185-G193 CarbonylContact C-O 3.41Å; G185-G193 WeakPolarHBondContact CA-O 3.41Å; T186-G193 PolarHBondContact N-O 3.27Å; G190-G193 PolarHBondContact O-N 3.29Å; G191-G193 PolarHBondContact O-N 3.31Å; G191-G193 VanDerWaalsContact O-N 3.13Å | ||
| 194 | Y | 97.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | trans | -145 | 154.2 | 179.6 | 69.4 | -80.7 | 0 | 0 | 0 | 111.7 | F180 L196 I315 V318 Q320 | F180-Y194 HydrophobicContact CE2-CG 4.44Å; Y194-L196 HydrophobicContact CD2-CB 4.4Å; Y194-L196 HydrophobicContact CE2-CB 4.18Å; Y194-I315 HydrophobicContact CD2-CG2 3.86Å; Y194-I315 HydrophobicContact CE2-CG2 4.3Å; Y194-I315 HydrophobicContact CG-CG2 4.06Å; Y194-V318 HydrophobicContact CD1-CB 4.05Å; Y194-V318 HydrophobicContact CD1-CG1 3.72Å; Y194-V318 HydrophobicContact CE1-CB 3.77Å; Y194-V318 HydrophobicContact CE1-CG1 3.86Å; Y194-V318 HydrophobicContact CE1-CG2 3.85Å; Y194-Q320 WeakPolarHBondContact CE1-O 3.38Å; Y194-Q320 PolarHBondContact OH-O 2.98Å | ||
| 195 | F | 98.1 | Very high | 96.7 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.9 | 158.8 | -75.1 | -90.9 | 0 | 0 | 0 | 109.5 | F180 D181 R184 V188 | F180-F195 WeakPolarHBondContact CA-O 3.11Å; D181-F195 HydrophobicContact CB-CB 4.26Å; D181-F195 PolarHBondContact N-O 3.21Å; D181-F195 PolarHBondContact O-N 3.02Å; R184-F195 HydrophobicContact CB-CD2 4.05Å; R184-F195 HydrophobicContact CB-CE2 4.22Å; V188-F195 HydrophobicContact CB-CE2 4.22Å; V188-F195 HydrophobicContact CB-CZ 4.48Å; V188-F195 HydrophobicContact CG1-CZ 4.43Å; V188-F195 HydrophobicContact CG2-CE2 4.02Å; V188-F195 HydrophobicContact CG2-CZ 4.24Å |
| 196 | L | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.2 | 165.1 | -153.8 | 70.1 | 0 | 0 | 0 | 108.8 | Y194 L200 V201 E204 I315 L437 | Y194-L196 HydrophobicContact CD2-CB 4.4Å; Y194-L196 HydrophobicContact CE2-CB 4.18Å; L196-L200 HydrophobicContact CD1-CB 3.57Å; L196-L200 HydrophobicContact CD1-CD1 3.68Å; L196-L200 HydrophobicContact CD1-CG 4.27Å; L196-L200 HydrophobicContact CD2-CB 4.06Å; L196-L200 HydrophobicContact CG-CB 3.66Å; L196-V201 HydrophobicContact CB-CG2 4.15Å; L196-V201 HydrophobicContact CD2-CG2 4.35Å; L196-V201 HydrophobicContact CG-CG2 4.19Å; L196-V201 WeakPolarHBondContact O-CG2 3.33Å; L196-E204 HydrophobicContact CD2-CB 4.2Å; L196-I315 HydrophobicContact CD1-CD1 4.04Å; L196-L437 HydrophobicContact CD2-CD1 4.06Å |
| 197 | K | 97.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 30% | 0.3 | 28% | 0.281 | S | S | . | . | trans | -144.9 | 160.2 | -175.4 | 55.7 | 170.4 | -67.3 | -167.9 | 0 | 113.2 | D178 G179 P199 L200 | D178-K197 VanDerWaalsContact O-CD 3.22Å; D178-K197 WeakPolarHBondContact O-CD 3.44Å; D178-K197 WeakPolarHBondContact O-CE 3.24Å; D178-K197 VanDerWaalsContact O-CG 3.23Å; D178-K197 WeakPolarHBondContact O-CG 3.41Å; D178-K197 IonicContact OD1-NZ 2.69Å; D178-K197 PolarHBondContact OD1-NZ 3.07Å; D178-K197 WeakPolarHBondContact OD2-CE 3.43Å; D178-K197 IonicContact OD2-NZ 3.64Å; D178-K197 PolarHBondContact OD2-NZ 2.58Å; G179-K197 VanDerWaalsContact C-CG 3.47Å; G179-K197 WeakPolarHBondContact CA-O 3.42Å; G179-K197 WeakPolarHBondContact O-CG 3.36Å; G179-K197 PolarHBondContact O-N 3.21Å; K197-P199 WeakPolarHBondContact O-CD 3.46Å; K197-L200 PolarHBondContact O-N 2.77Å | ||
| 198 | G | 97.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -119.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | L200 V201 F202 | G198-L200 VanDerWaalsContact C-N 3.3Å; G198-L200 PolarHBondContact O-N 3.44Å; G198-V201 PolarHBondContact O-N 2.59Å; G198-F202 WeakPolarHBondContact O-CD2 3.1Å; G198-F202 PolarHBondContact O-N 3.5Å |
| 199 | P | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -33.5 | -172.6 | 25 | -34 | 0 | 0 | 0 | 113.9 | I177 K197 F202 L203 Y464 I468 | I177-P199 HydrophobicContact CB-CG 4.37Å; I177-P199 HydrophobicContact CD1-CG 4.45Å; I177-P199 HydrophobicContact CG1-CG 4.34Å; I177-P199 WeakPolarHBondContact O-CG 3.44Å; K197-P199 WeakPolarHBondContact O-CD 3.46Å; P199-F202 PolarHBondContact O-N 2.85Å; P199-L203 WeakPolarHBondContact O-CB 3.49Å; P199-L203 PolarHBondContact O-N 3.41Å; P199-Y464 HydrophobicContact CB-CD1 4.29Å; P199-Y464 HydrophobicContact CB-CD2 3.93Å; P199-Y464 HydrophobicContact CB-CE1 4.18Å; P199-Y464 HydrophobicContact CB-CE2 3.82Å; P199-Y464 HydrophobicContact CB-CG 4.18Å; P199-I468 HydrophobicContact CB-CB 4.45Å; P199-I468 HydrophobicContact CB-CD1 4.19Å; P199-I468 HydrophobicContact CB-CG1 4.14Å; P199-I468 HydrophobicContact CB-CG2 3.48Å; P199-I468 VanDerWaalsContact CB-CG2 3.48Å; P199-I468 HydrophobicContact CG-CG2 3.77Å |
| 200 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.9 | -29.1 | -178.6 | -72.4 | -173.1 | 0 | 0 | 0 | 113.2 | C174 I177 L196 K197 G198 L203 E204 L437 L441 | C174-L200 HydrophobicContact CB-CD1 4.43Å; I177-L200 HydrophobicContact CD1-CD1 4.08Å; I177-L200 HydrophobicContact CD1-CD2 3.58Å; I177-L200 HydrophobicContact CD1-CG 3.64Å; L196-L200 HydrophobicContact CD1-CB 3.57Å; L196-L200 HydrophobicContact CD1-CD1 3.68Å; L196-L200 HydrophobicContact CD1-CG 4.27Å; L196-L200 HydrophobicContact CD2-CB 4.06Å; L196-L200 HydrophobicContact CG-CB 3.66Å; K197-L200 PolarHBondContact O-N 2.77Å; G198-L200 VanDerWaalsContact C-N 3.3Å; G198-L200 PolarHBondContact O-N 3.44Å; L200-L203 HydrophobicContact CD2-CD2 4.31Å; L200-L203 PolarHBondContact O-N 3.14Å; L200-E204 WeakPolarHBondContact O-CB 3.29Å; L200-E204 PolarHBondContact O-N 3.32Å; L200-L437 HydrophobicContact CD2-CD2 4.45Å; L200-L441 HydrophobicContact CD2-CD1 4.28Å; L200-L441 HydrophobicContact CD2-CD2 4.11Å; L200-L441 HydrophobicContact CD2-CG 4.49Å |
| 201 | V | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 34% | 0.339 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | L196 G198 E204 Q205 | L196-V201 HydrophobicContact CB-CG2 4.15Å; L196-V201 HydrophobicContact CD2-CG2 4.35Å; L196-V201 HydrophobicContact CG-CG2 4.19Å; L196-V201 WeakPolarHBondContact O-CG2 3.33Å; G198-V201 PolarHBondContact O-N 2.59Å; V201-E204 PolarHBondContact O-N 3.37Å; V201-Q205 WeakPolarHBondContact O-CG 3.25Å; V201-Q205 PolarHBondContact O-N 2.65Å; V201-Q205 VanDerWaalsContact O-N 3.07Å |
| 202 | F | 98.6 | Very high | 97.9 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.7 | -71.4 | -69.1 | 0 | 0 | 0 | 112.2 | G198 P199 E204 Q205 A206 M460 P461 Y464 | G198-F202 WeakPolarHBondContact O-CD2 3.1Å; G198-F202 PolarHBondContact O-N 3.5Å; P199-F202 PolarHBondContact O-N 2.85Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 2.91Å; F202-Q205 PolarHBondContact O-N 3.48Å; F202-A206 WeakPolarHBondContact O-CB 3.27Å; F202-A206 PolarHBondContact O-N 3.46Å; F202-M460 HydrophobicContact CB-CE 4.03Å; F202-M460 HydrophobicContact CB-SD 4.11Å; F202-P461 HydrophobicContact CB-CG 4.22Å; F202-P461 HydrophobicContact CD1-CG 3.93Å; F202-P461 HydrophobicContact CD2-CG 3.76Å; F202-P461 HydrophobicContact CE1-CG 4.2Å; F202-P461 HydrophobicContact CE2-CG 4.04Å; F202-P461 HydrophobicContact CG-CG 3.7Å; F202-P461 HydrophobicContact CZ-CG 4.25Å; F202-Y464 HydrophobicContact CD2-CD2 4.15Å; F202-Y464 HydrophobicContact CD2-CE2 4.17Å |
| 203 | L | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -36.9 | 178.3 | -168.7 | 61.7 | 0 | 0 | 0 | 111.9 | P199 L200 A206 I207 L437 L440 L456 M460 I468 | P199-L203 WeakPolarHBondContact O-CB 3.49Å; P199-L203 PolarHBondContact O-N 3.41Å; L200-L203 HydrophobicContact CD2-CD2 4.31Å; L200-L203 PolarHBondContact O-N 3.14Å; L203-A206 WeakPolarHBondContact O-CB 3.22Å; L203-A206 PolarHBondContact O-N 2.7Å; L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 3.49Å; L203-L437 HydrophobicContact CB-CD2 3.79Å; L203-L437 HydrophobicContact CD2-CD2 3.65Å; L203-L437 HydrophobicContact CG-CD2 3.52Å; L203-L440 HydrophobicContact CD1-CD1 4.38Å; L203-L440 HydrophobicContact CD2-CD1 4.26Å; L203-L440 HydrophobicContact CG-CD1 4.35Å; L203-L456 HydrophobicContact CD1-CD1 3.76Å; L203-M460 HydrophobicContact CB-CE 4.2Å; L203-M460 HydrophobicContact CB-SD 4.31Å; L203-M460 HydrophobicContact CD1-CE 4.31Å; L203-M460 HydrophobicContact CD1-SD 4.03Å; L203-I468 HydrophobicContact CD2-CD1 4.19Å |
| 204 | E | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 172.1 | 178.9 | 164.6 | -112.5 | 0 | 0 | 111.6 | L196 L200 V201 F202 A206 I207 I208 T433 L437 | L196-E204 HydrophobicContact CD2-CB 4.2Å; L200-E204 WeakPolarHBondContact O-CB 3.29Å; L200-E204 PolarHBondContact O-N 3.32Å; V201-E204 PolarHBondContact O-N 3.37Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 2.91Å; E204-A206 PolarHBondContact O-N 2.95Å; E204-I207 WeakPolarHBondContact O-CG1 3.1Å; E204-I207 PolarHBondContact O-N 3.44Å; E204-I208 HydrophobicContact CG-CD1 3.87Å; E204-I208 VanDerWaalsContact O-CG1 3.28Å; E204-I208 WeakPolarHBondContact O-CG1 3.34Å; E204-I208 PolarHBondContact O-N 3.5Å; E204-T433 HydrophobicContact CG-CG2 4.02Å; E204-T433 WeakPolarHBondContact OE1-CB 3.08Å; E204-T433 PolarHBondContact OE1-OG1 3.38Å; E204-L437 HydrophobicContact CB-CD1 4.2Å |
| 205 | Q | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 35.8 Ų | 35.8 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -34.9 | 176.7 | -67.1 | -60.9 | -54.1 | 0 | 0 | 111.9 | V201 F202 N209 | V201-Q205 WeakPolarHBondContact O-CG 3.25Å; V201-Q205 PolarHBondContact O-N 2.65Å; V201-Q205 VanDerWaalsContact O-N 3.07Å; F202-Q205 PolarHBondContact O-N 3.48Å; Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3Å; Q205-N209 PolarHBondContact O-ND2 3.44Å |
| 206 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.5 | -47.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F202 L203 E204 N209 L210 L456 F459 M460 | F202-A206 WeakPolarHBondContact O-CB 3.27Å; F202-A206 PolarHBondContact O-N 3.46Å; L203-A206 WeakPolarHBondContact O-CB 3.22Å; L203-A206 PolarHBondContact O-N 2.7Å; E204-A206 PolarHBondContact O-N 2.95Å; A206-N209 PolarHBondContact O-N 3.32Å; A206-L210 WeakPolarHBondContact O-CB 3.11Å; A206-L210 PolarHBondContact O-N 3.45Å; A206-L456 HydrophobicContact CB-CB 4.45Å; A206-L456 HydrophobicContact CB-CD2 4.19Å; A206-F459 HydrophobicContact CB-CB 3.55Å; A206-F459 HydrophobicContact CB-CD2 4.35Å; A206-F459 HydrophobicContact CB-CG 4.31Å; A206-M460 HydrophobicContact CB-SD 3.94Å |
| 207 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -34.4 | 179.9 | 61.5 | 177.4 | 0 | 0 | 0 | 112.3 | L203 E204 A211 F351 T433 V436 L437 L440 L456 | L203-I207 WeakPolarHBondContact O-CG1 3.47Å; L203-I207 PolarHBondContact O-N 3.49Å; E204-I207 WeakPolarHBondContact O-CG1 3.1Å; E204-I207 PolarHBondContact O-N 3.44Å; I207-A211 WeakPolarHBondContact O-CB 3.36Å; I207-A211 PolarHBondContact O-N 3.04Å; I207-F351 HydrophobicContact CB-CZ 4.47Å; I207-T433 HydrophobicContact CD1-CG2 4.18Å; I207-T433 HydrophobicContact CG1-CG2 4.41Å; I207-V436 HydrophobicContact CD1-CB 3.96Å; I207-V436 HydrophobicContact CD1-CG1 3.88Å; I207-V436 HydrophobicContact CG2-CG1 4.34Å; I207-L437 HydrophobicContact CD1-CD2 4.03Å; I207-L437 HydrophobicContact CD1-CG 4.1Å; I207-L440 HydrophobicContact CG2-CD1 3.79Å; I207-L456 HydrophobicContact CG2-CD1 3.76Å; I207-L456 HydrophobicContact CG2-CD2 4Å |
| 208 | I | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -50.6 | 172.9 | -69.7 | 168.5 | 0 | 0 | 0 | 109.9 | E204 L210 A211 L212 I297 E322 V324 T433 | E204-I208 HydrophobicContact CG-CD1 3.87Å; E204-I208 VanDerWaalsContact O-CG1 3.28Å; E204-I208 WeakPolarHBondContact O-CG1 3.34Å; E204-I208 PolarHBondContact O-N 3.5Å; I208-L210 PolarHBondContact O-N 2.84Å; I208-A211 PolarHBondContact O-N 2.89Å; I208-L212 HydrophobicContact CG2-CD1 3.99Å; I208-L212 HydrophobicContact CG2-CG 4.49Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.24Å; I208-I297 HydrophobicContact CG2-CD1 3.54Å; I208-E322 HydrophobicContact CD1-CB 4.31Å; I208-V324 HydrophobicContact CG2-CG2 4.29Å; I208-T433 HydrophobicContact CD1-CG2 3.91Å; I208-T433 HydrophobicContact CG1-CG2 3.56Å |
| 209 | N | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | -179.8 | -84.5 | -69.4 | 0 | 0 | 0 | 111.9 | Q205 A206 L212 Q213 F459 | Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3Å; Q205-N209 PolarHBondContact O-ND2 3.44Å; A206-N209 PolarHBondContact O-N 3.32Å; N209-L212 PolarHBondContact O-N 3.29Å; N209-Q213 WeakPolarHBondContact O-CB 3.47Å; N209-Q213 VanDerWaalsContact O-CG 3.3Å; N209-Q213 WeakPolarHBondContact O-CG 3.22Å; N209-Q213 PolarHBondContact O-N 3.33Å; N209-F459 HydrophobicContact CB-CD1 3.96Å; N209-F459 HydrophobicContact CB-CE1 3.95Å; N209-F459 HydrophobicContact CB-CG 4.45Å; N209-F459 HydrophobicContact CB-CZ 4.43Å |
| 210 | L | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 176.3 | 178.9 | 63 | 0 | 0 | 0 | 111.5 | A206 I208 L212 Q213 M214 F351 L355 I455 L456 F459 | A206-L210 WeakPolarHBondContact O-CB 3.11Å; A206-L210 PolarHBondContact O-N 3.45Å; I208-L210 PolarHBondContact O-N 2.84Å; L210-L212 PolarHBondContact O-N 3.15Å; L210-Q213 PolarHBondContact O-N 2.89Å; L210-M214 HydrophobicContact CD1-CG 4.09Å; L210-M214 HydrophobicContact CD1-SD 3.97Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 HydrophobicContact CG-SD 4Å; L210-M214 WeakPolarHBondContact O-CB 3.49Å; L210-M214 WeakPolarHBondContact O-CG 3.48Å; L210-M214 PolarHBondContact O-N 2.94Å; L210-F351 HydrophobicContact CB-CE2 4.26Å; L210-F351 HydrophobicContact CD2-CD2 4.25Å; L210-F351 HydrophobicContact CD2-CE2 3.88Å; L210-F351 HydrophobicContact CG-CD2 4.26Å; L210-F351 HydrophobicContact CG-CE2 3.93Å; L210-L355 HydrophobicContact CD2-CD2 3.75Å; L210-L355 HydrophobicContact CD2-CG 4.37Å; L210-I455 HydrophobicContact CD1-CD1 3.71Å; L210-I455 HydrophobicContact CD1-CG1 3.86Å; L210-I455 HydrophobicContact CD2-CD1 4.19Å; L210-I455 HydrophobicContact CD2-CG1 4.28Å; L210-I455 HydrophobicContact CD2-CG2 3.88Å; L210-L456 HydrophobicContact CB-CD2 4.1Å; L210-L456 HydrophobicContact CD2-CD2 3.67Å; L210-F459 HydrophobicContact CB-CE2 4.16Å; L210-F459 HydrophobicContact CD1-CE2 4.49Å |
| 211 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I207 I208 M214 L215 V324 F351 M430 C431 | I207-A211 WeakPolarHBondContact O-CB 3.36Å; I207-A211 PolarHBondContact O-N 3.04Å; I208-A211 PolarHBondContact O-N 2.89Å; A211-M214 PolarHBondContact O-N 2.94Å; A211-L215 WeakPolarHBondContact O-CG 3.45Å; A211-L215 PolarHBondContact O-N 3.07Å; A211-V324 HydrophobicContact CB-CB 4.13Å; A211-V324 HydrophobicContact CB-CG1 4.09Å; A211-V324 HydrophobicContact CB-CG2 4.13Å; A211-F351 HydrophobicContact CB-CD2 4.33Å; A211-F351 HydrophobicContact CB-CE2 3.76Å; A211-F351 HydrophobicContact CB-CZ 4.11Å; A211-M430 HydrophobicContact CB-CG 3.87Å; A211-C431 HydrophobicContact CB-CB 4.01Å |
| 212 | L | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.7 | -71.8 | 176 | 0 | 0 | 0 | 112.6 | I208 N209 L210 L215 H216 A222 A295 I297 V324 | I208-L212 HydrophobicContact CG2-CD1 3.99Å; I208-L212 HydrophobicContact CG2-CG 4.49Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.24Å; N209-L212 PolarHBondContact O-N 3.29Å; L210-L212 PolarHBondContact O-N 3.15Å; L212-L215 PolarHBondContact O-N 2.8Å; L212-H216 VanDerWaalsContact O-CB 3.31Å; L212-H216 WeakPolarHBondContact O-CB 3.38Å; L212-H216 PolarHBondContact O-N 3.04Å; L212-A222 HydrophobicContact CD2-CB 4.42Å; L212-A295 HydrophobicContact CD2-CB 4.1Å; L212-I297 HydrophobicContact CD1-CD1 4.01Å; L212-V324 HydrophobicContact CD2-CG1 3.94Å; L212-V324 HydrophobicContact CD2-CG2 4.48Å; L212-V324 HydrophobicContact CG-CG1 4.47Å; L212-V324 HydrophobicContact CG-CG2 4.4Å |
| 213 | Q | 98.5 | Very high | 98.6 | Very high | 99 Ų | 99 | 44 Ų | 44 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 178.4 | -74.7 | -177.2 | 9.9 | 0 | 0 | 111.9 | N209 L210 H216 S217 | N209-Q213 WeakPolarHBondContact O-CB 3.47Å; N209-Q213 VanDerWaalsContact O-CG 3.3Å; N209-Q213 WeakPolarHBondContact O-CG 3.22Å; N209-Q213 PolarHBondContact O-N 3.33Å; L210-Q213 PolarHBondContact O-N 2.89Å; Q213-H216 PolarHBondContact O-N 3.28Å; Q213-S217 PolarHBondContact O-N 3.47Å |
| 214 | M | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 16% | 0.163 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 176.3 | -72.2 | -177 | 68.7 | 0 | 0 | 111.3 | L210 A211 S217 K218 D350 F351 M430 | L210-M214 HydrophobicContact CD1-CG 4.09Å; L210-M214 HydrophobicContact CD1-SD 3.97Å; L210-M214 HydrophobicContact CG-CG 4.46Å; L210-M214 HydrophobicContact CG-SD 4Å; L210-M214 WeakPolarHBondContact O-CB 3.49Å; L210-M214 WeakPolarHBondContact O-CG 3.48Å; L210-M214 PolarHBondContact O-N 2.94Å; A211-M214 PolarHBondContact O-N 2.94Å; M214-S217 PolarHBondContact O-N 3.11Å; M214-S217 PolarHBondContact O-OG 3.44Å; M214-K218 PolarHBondContact O-N 3.13Å; M214-D350 HydrophobicContact CE-CB 4.04Å; M214-F351 HydrophobicContact CE-CB 4.22Å; M214-F351 HydrophobicContact SD-CB 4.3Å; M214-F351 HydrophobicContact SD-CD2 3.77Å; M214-M430 HydrophobicContact CB-CE 3.97Å |
| 215 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 177 | -67.9 | 179.7 | 0 | 0 | 0 | 112.6 | A211 L212 S217 K218 G219 F220 A295 V324 Q326 N347 M430 | A211-L215 WeakPolarHBondContact O-CG 3.45Å; A211-L215 PolarHBondContact O-N 3.07Å; L212-L215 PolarHBondContact O-N 2.8Å; L215-S217 VanDerWaalsContact C-N 3.29Å; L215-S217 PolarHBondContact O-N 3.22Å; L215-K218 CarbonylContact O-C 3.52Å; L215-K218 WeakPolarHBondContact O-CA 3.19Å; L215-K218 PolarHBondContact O-N 2.82Å; L215-G219 PolarHBondContact O-N 2.74Å; L215-F220 HydrophobicContact CB-CB 3.91Å; L215-F220 HydrophobicContact CB-CD2 4.36Å; L215-F220 HydrophobicContact CB-CG 4.12Å; L215-F220 HydrophobicContact CD2-CD2 4.23Å; L215-F220 HydrophobicContact CD2-CE2 4.31Å; L215-F220 HydrophobicContact CD2-CG 4.36Å; L215-F220 WeakPolarHBondContact O-CB 3.35Å; L215-F220 WeakPolarHBondContact O-CD2 3.31Å; L215-F220 PolarHBondContact O-N 3.03Å; L215-F220 VanDerWaalsContact O-N 3.12Å; L215-A295 HydrophobicContact CB-CB 3.96Å; L215-A295 HydrophobicContact CD1-CB 3.62Å; L215-A295 HydrophobicContact CG-CB 4.47Å; L215-V324 HydrophobicContact CD1-CG1 3.88Å; L215-Q326 HydrophobicContact CD1-CG 3.89Å; L215-Q326 HydrophobicContact CD2-CG 3.63Å; L215-Q326 HydrophobicContact CG-CG 4.43Å; L215-N347 HydrophobicContact CD2-CB 4.45Å; L215-M430 HydrophobicContact CD1-CB 3.99Å; L215-M430 HydrophobicContact CD1-CG 3.9Å; L215-M430 HydrophobicContact CD2-CE 4.01Å; L215-M430 HydrophobicContact CD2-CG 4.39Å; L215-M430 HydrophobicContact CD2-SD 3.98Å; L215-M430 HydrophobicContact CG-CE 4.06Å; L215-M430 HydrophobicContact CG-CG 4.13Å; L215-M430 HydrophobicContact CG-SD 4.28Å |
| 216 | H | 98.6 | Very high | 98.6 | Very high | 138 Ų | 138 | 50.2 Ų | 50.2 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.3 | -43.7 | 175.7 | -179.6 | -39.3 | 0 | 0 | 0 | 110.9 | L212 Q213 K218 G219 | L212-H216 VanDerWaalsContact O-CB 3.31Å; L212-H216 WeakPolarHBondContact O-CB 3.38Å; L212-H216 PolarHBondContact O-N 3.04Å; Q213-H216 PolarHBondContact O-N 3.28Å; H216-K218 PolarHBondContact O-N 3.43Å; H216-K218 VanDerWaalsContact O-N 3.13Å; H216-G219 PolarHBondContact O-N 2.78Å |
| 217 | S | 98.4 | Very high | 98.6 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -19.8 | 178.2 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | Q213 M214 L215 | Q213-S217 PolarHBondContact O-N 3.47Å; M214-S217 PolarHBondContact O-N 3.11Å; M214-S217 PolarHBondContact O-OG 3.44Å; L215-S217 VanDerWaalsContact C-N 3.29Å; L215-S217 PolarHBondContact O-N 3.22Å |
| 218 | K | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 13 | 175.9 | -60 | -168.4 | -178.6 | -153.7 | 0 | 113.2 | M214 L215 H216 F220 N347 D350 | M214-K218 PolarHBondContact O-N 3.13Å; L215-K218 CarbonylContact O-C 3.52Å; L215-K218 WeakPolarHBondContact O-CA 3.19Å; L215-K218 PolarHBondContact O-N 2.82Å; H216-K218 PolarHBondContact O-N 3.43Å; H216-K218 VanDerWaalsContact O-N 3.13Å; K218-F220 HydrophobicContact CB-CD2 4.12Å; K218-F220 HydrophobicContact CB-CE2 4.28Å; K218-N347 WeakPolarHBondContact CD-OD1 3.33Å; K218-N347 VanDerWaalsContact CE-OD1 3.32Å; K218-N347 WeakPolarHBondContact CE-OD1 3.39Å; K218-N347 PolarHBondContact NZ-OD1 3.45Å; K218-D350 IonicContact NZ-OD2 3.46Å; K218-D350 PolarHBondContact NZ-OD2 3.18Å |
| 219 | G | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 13 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L215 H216 | L215-G219 PolarHBondContact O-N 2.74Å; H216-G219 PolarHBondContact O-N 2.78Å |
| 220 | F | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 138.8 | 173.4 | -71.9 | -110.7 | 0 | 0 | 0 | 111 | L215 K218 K293 Y294 A295 Q326 V328 | L215-F220 HydrophobicContact CB-CB 3.91Å; L215-F220 HydrophobicContact CB-CD2 4.36Å; L215-F220 HydrophobicContact CB-CG 4.12Å; L215-F220 HydrophobicContact CD2-CD2 4.23Å; L215-F220 HydrophobicContact CD2-CE2 4.31Å; L215-F220 HydrophobicContact CD2-CG 4.36Å; L215-F220 WeakPolarHBondContact O-CB 3.35Å; L215-F220 WeakPolarHBondContact O-CD2 3.31Å; L215-F220 PolarHBondContact O-N 3.03Å; L215-F220 VanDerWaalsContact O-N 3.12Å; K218-F220 HydrophobicContact CB-CD2 4.12Å; K218-F220 HydrophobicContact CB-CE2 4.28Å; F220-K293 WeakPolarHBondContact CA-O 3.06Å; F220-K293 HydrophobicContact CB-CB 4.37Å; F220-K293 HydrophobicContact CD1-CB 3.65Å; F220-K293 HydrophobicContact CD2-CB 4.16Å; F220-K293 HydrophobicContact CD2-CD 4.1Å; F220-K293 HydrophobicContact CE1-CB 3.86Å; F220-K293 HydrophobicContact CE1-CG 4.49Å; F220-K293 HydrophobicContact CE2-CB 4.35Å; F220-K293 HydrophobicContact CE2-CD 3.79Å; F220-K293 HydrophobicContact CG-CB 3.8Å; F220-K293 HydrophobicContact CZ-CB 4.21Å; F220-K293 HydrophobicContact CZ-CD 4.02Å; F220-K293 HydrophobicContact CZ-CG 4.44Å; F220-Y294 WeakPolarHBondContact CD1-O 3.48Å; F220-A295 HydrophobicContact CB-CB 4.06Å; F220-Q326 HydrophobicContact CE1-CB 3.86Å; F220-Q326 HydrophobicContact CE1-CG 4.11Å; F220-Q326 HydrophobicContact CZ-CB 4.48Å; F220-Q326 HydrophobicContact CZ-CG 4.47Å; F220-V328 HydrophobicContact CE1-CG2 3.82Å; F220-V328 HydrophobicContact CZ-CG2 4.1Å |
| 221 | I | 98.7 | Very high | 98.1 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.5 | 175.3 | -59 | 170.3 | 0 | 0 | 0 | 108.6 | L223 K293 Y294 A295 | I221-L223 PolarHBondContact O-N 2.75Å; I221-K293 PolarHBondContact N-O 3.45Å; I221-Y294 HydrophobicContact CB-CD1 3.98Å; I221-Y294 HydrophobicContact CB-CE1 4.22Å; I221-Y294 HydrophobicContact CD1-CE1 4.43Å; I221-Y294 HydrophobicContact CG2-CD1 4.31Å; I221-Y294 HydrophobicContact CG2-CE1 4.31Å; I221-Y294 CarbonylContact O-C 3.57Å; I221-Y294 WeakPolarHBondContact O-CA 3.37Å; I221-A295 PolarHBondContact O-N 3.26Å |
| 222 | A | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 125.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L212 A295 | L212-A222 HydrophobicContact CD2-CB 4.42Å; A222-A295 WeakPolarHBondContact CA-O 3.47Å |
| 223 | L | 98.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 111.7 | -175.5 | -178 | 57.6 | 0 | 0 | 0 | 110.6 | I221 T225 I276 Y294 A295 G296 I297 | I221-L223 PolarHBondContact O-N 2.75Å; L223-T225 HydrophobicContact CG-CG2 4.36Å; L223-I276 HydrophobicContact CD2-CD1 4.31Å; L223-I276 HydrophobicContact CD2-CG1 3.83Å; L223-I276 HydrophobicContact CD2-CG2 4.37Å; L223-Y294 HydrophobicContact CB-CD1 3.9Å; L223-Y294 HydrophobicContact CB-CG 4.49Å; L223-Y294 HydrophobicContact CD2-CD1 3.61Å; L223-Y294 HydrophobicContact CD2-CD2 4.42Å; L223-Y294 HydrophobicContact CD2-CE1 3.87Å; L223-Y294 HydrophobicContact CD2-CG 3.91Å; L223-Y294 HydrophobicContact CG-CD1 4.35Å; L223-A295 PolarHBondContact N-O 3.08Å; L223-G296 CarbonylContact O-C 3.5Å; L223-G296 WeakPolarHBondContact O-CA 3.34Å; L223-I297 PolarHBondContact O-N 3.22Å |
| 224 | Y | 98.7 | Very high | 97.5 | Very high | 158 Ų | 158 | 62.4 Ų | 62.4 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.4 | 171 | -179.4 | -90.6 | 0 | 0 | 0 | 109.8 | F227 I297 | Y224-F227 HydrophobicContact CE1-CE1 4.43Å; Y224-F227 AromaticContact CE2-CE1 3.9Å; Y224-F227 HydrophobicContact CE2-CE1 3.9Å; Y224-F227 AromaticContact CE2-CZ 3.66Å; Y224-F227 HydrophobicContact CE2-CZ 3.66Å; Y224-F227 AromaticContact CZ-CE1 3.76Å; Y224-F227 AromaticContact CZ-CZ 3.6Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.49Å; Y224-I297 HydrophobicContact CD2-CG2 4.21Å |
| 225 | T | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | trans | -108 | 152.2 | -170.7 | 65 | 0 | 0 | 0 | 0 | 112.6 | L223 F227 P275 I276 S298 | L223-T225 HydrophobicContact CG-CG2 4.36Å; T225-F227 WeakPolarHBondContact O-CD1 3.32Å; T225-F227 VanDerWaalsContact O-CE1 3.25Å; T225-F227 WeakPolarHBondContact O-CE1 2.98Å; T225-F227 PolarHBondContact O-N 2.85Å; T225-P275 HydrophobicContact CG2-CB 4.34Å; T225-P275 HydrophobicContact CG2-CG 3.84Å; T225-I276 HydrophobicContact CG2-CD1 4.12Å; T225-I276 HydrophobicContact CG2-CG1 3.69Å; T225-S298 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 226 | P | 98.4 | Very high | 97 | Very high | 84 Ų | 84 | 65.8 Ų | 65.8 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | trans | -57.3 | 138.1 | 163.9 | -21.9 | 33.4 | 0 | 0 | 0 | 111.2 | F228 | P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 2.81Å | ||
| 227 | F | 98.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -86.4 | 0.3 | -177.1 | -64.7 | -5.5 | 0 | 0 | 0 | 113.8 | Y224 T225 L268 I269 S299 F301 | Y224-F227 HydrophobicContact CE1-CE1 4.43Å; Y224-F227 AromaticContact CE2-CE1 3.9Å; Y224-F227 HydrophobicContact CE2-CE1 3.9Å; Y224-F227 AromaticContact CE2-CZ 3.66Å; Y224-F227 HydrophobicContact CE2-CZ 3.66Å; Y224-F227 AromaticContact CZ-CE1 3.76Å; Y224-F227 AromaticContact CZ-CZ 3.6Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.49Å; T225-F227 WeakPolarHBondContact O-CD1 3.32Å; T225-F227 VanDerWaalsContact O-CE1 3.25Å; T225-F227 WeakPolarHBondContact O-CE1 2.98Å; T225-F227 PolarHBondContact O-N 2.85Å; F227-L268 CarbonylContact O-C 3.54Å; F227-L268 VanDerWaalsContact O-CA 3.26Å; F227-L268 WeakPolarHBondContact O-CA 3.43Å; F227-L268 WeakPolarHBondContact O-CD2 3.25Å; F227-I269 HydrophobicContact CD1-CD1 4.23Å; F227-I269 PolarHBondContact O-N 2.77Å; F227-S299 VanDerWaalsContact CZ-N 3.35Å; F227-F301 HydrophobicContact CB-CE2 4.05Å; F227-F301 HydrophobicContact CD2-CE2 4.14Å; F227-F301 HydrophobicContact CD2-CZ 4.39Å; F227-F301 HydrophobicContact CG-CE2 4.29Å |
| 228 | F | 97.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 55.1 Ų | 55.1 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.3 | 175.3 | 49.4 | -98.1 | 0 | 0 | 0 | 110.7 | P226 K266 Y267 L268 | P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 2.81Å; F228-K266 HydrophobicContact CB-CB 4.42Å; F228-K266 HydrophobicContact CD2-CD 3.55Å; F228-K266 HydrophobicContact CE2-CD 4.05Å; F228-K266 HydrophobicContact CG-CD 4.32Å; F228-Y267 CarbonylContact C-O 3.56Å; F228-Y267 WeakPolarHBondContact CA-O 3.5Å; F228-L268 HydrophobicContact CB-CD2 4.34Å |
| 229 | M | 97.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.4 | 176.1 | -61.3 | 174.2 | 66.1 | 0 | 0 | 110.3 | V233 M234 V237 K266 Y267 I269 Q274 P275 A278 | M229-V233 HydrophobicContact CE-CB 4.29Å; M229-V233 HydrophobicContact CE-CG1 3.65Å; M229-M234 HydrophobicContact CB-CB 4.33Å; M229-M234 HydrophobicContact CB-CE 4Å; M229-M234 HydrophobicContact CG-CE 4.18Å; M229-M234 HydrophobicContact SD-CE 3.78Å; M229-M234 HydrophobicContact SD-SD 4.14Å; M229-V237 HydrophobicContact CE-CG2 3.82Å; M229-V237 HydrophobicContact SD-CG2 4.37Å; M229-K266 CarbonylContact O-C 3.52Å; M229-K266 WeakPolarHBondContact O-CA 3.2Å; M229-K266 WeakPolarHBondContact O-CB 3.13Å; M229-Y267 PolarHBondContact N-O 2.7Å; M229-Y267 PolarHBondContact O-N 3.45Å; M229-I269 HydrophobicContact CG-CG2 3.82Å; M229-I269 HydrophobicContact SD-CG2 3.94Å; M229-Q274 VanDerWaalsContact SD-C 3.6Å; M229-Q274 HydrophobicContact SD-CB 3.63Å; M229-P275 HydrophobicContact CG-CB 4.48Å; M229-P275 HydrophobicContact SD-CB 4.18Å; M229-A278 HydrophobicContact CE-CB 3.57Å |
| 230 | R | 95.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 54.9 Ų | 54.9 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 142.5 | 172 | -62.2 | -176.2 | -61 | 126.2 | 12.8 | 109.7 | E232 V233 M234 | R230-E232 VanDerWaalsContact C-N 3.29Å; R230-E232 HydrophobicContact CB-CG 4.37Å; R230-E232 IonicContact CZ-OE1 2.68Å; R230-E232 VanDerWaalsContact NH1-CD 3.35Å; R230-E232 IonicContact NH1-OE1 2.66Å; R230-E232 PolarHBondContact NH1-OE1 2.86Å; R230-E232 IonicContact NH2-OE1 3.02Å; R230-E232 PolarHBondContact NH2-OE1 3.5Å; R230-E232 PolarHBondContact O-N 3.21Å; R230-V233 HydrophobicContact CB-CG2 4.34Å; R230-V233 PolarHBondContact O-N 3.25Å; R230-M234 PolarHBondContact O-N 3.25Å |
| 231 | K | 94.4 | Very high | 93.9 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -47.4 | -48.7 | -178.9 | 179.3 | 172.7 | -171.1 | 176.6 | 0 | 113.4 | V233 M234 Q235 E265 Y267 | K231-V233 VanDerWaalsContact C-N 3.26Å; K231-V233 PolarHBondContact O-N 3.45Å; K231-M234 PolarHBondContact O-N 2.9Å; K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.48Å; K231-Q235 PolarHBondContact O-N 2.9Å; K231-E265 HydrophobicContact CB-CB 4.4Å; K231-E265 WeakPolarHBondContact CB-O 3.26Å; K231-E265 HydrophobicContact CD-CB 4.23Å; K231-E265 VanDerWaalsContact CD-OE2 3.32Å; K231-E265 WeakPolarHBondContact CD-OE2 3.33Å; K231-E265 PolarHBondContact N-O 3.45Å; K231-E265 VanDerWaalsContact N-O 3.07Å; K231-E265 IonicContact NZ-OE2 3.93Å; K231-E265 PolarHBondContact NZ-OE2 3.21Å; K231-Y267 HydrophobicContact CB-CD2 4.29Å; K231-Y267 HydrophobicContact CB-CE2 3.88Å; K231-Y267 HydrophobicContact CD-CE2 4.22Å; K231-Y267 HydrophobicContact CG-CE2 3.81Å |
| 232 | E | 92.7 | Very high | 93.1 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | -178.7 | 63 | 175.2 | -146.9 | 0 | 0 | 113.4 | R230 | R230-E232 VanDerWaalsContact C-N 3.29Å; R230-E232 HydrophobicContact CB-CG 4.37Å; R230-E232 IonicContact CZ-OE1 2.68Å; R230-E232 VanDerWaalsContact NH1-CD 3.35Å; R230-E232 IonicContact NH1-OE1 2.66Å; R230-E232 PolarHBondContact NH1-OE1 2.86Å; R230-E232 IonicContact NH2-OE1 3.02Å; R230-E232 PolarHBondContact NH2-OE1 3.5Å; R230-E232 PolarHBondContact O-N 3.21Å |
| 233 | V | 95.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -83.3 | -40.6 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | M229 R230 K231 Q235 E236 A278 | M229-V233 HydrophobicContact CE-CB 4.29Å; M229-V233 HydrophobicContact CE-CG1 3.65Å; R230-V233 HydrophobicContact CB-CG2 4.34Å; R230-V233 PolarHBondContact O-N 3.25Å; K231-V233 VanDerWaalsContact C-N 3.26Å; K231-V233 PolarHBondContact O-N 3.45Å; V233-Q235 PolarHBondContact O-N 3.32Å; V233-E236 WeakPolarHBondContact O-CB 3.49Å; V233-E236 PolarHBondContact O-N 2.82Å; V233-A278 HydrophobicContact CG1-CB 3.56Å |
| 234 | M | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -38.1 | 176 | -174.3 | 59 | 87.7 | 0 | 0 | 111.4 | M229 R230 K231 E236 V237 A238 F243 L247 Y267 I269 Q274 | M229-M234 HydrophobicContact CB-CB 4.33Å; M229-M234 HydrophobicContact CB-CE 4Å; M229-M234 HydrophobicContact CG-CE 4.18Å; M229-M234 HydrophobicContact SD-CE 3.78Å; M229-M234 HydrophobicContact SD-SD 4.14Å; R230-M234 PolarHBondContact O-N 3.25Å; K231-M234 PolarHBondContact O-N 2.9Å; M234-E236 PolarHBondContact O-N 3.1Å; M234-E236 VanDerWaalsContact O-N 3.1Å; M234-V237 WeakPolarHBondContact O-CG2 3.29Å; M234-V237 PolarHBondContact O-N 3.06Å; M234-V237 VanDerWaalsContact O-N 3.1Å; M234-V237 HydrophobicContact SD-CG2 3.92Å; M234-A238 HydrophobicContact CG-CB 4.17Å; M234-A238 WeakPolarHBondContact O-CB 3.32Å; M234-A238 PolarHBondContact O-N 2.76Å; M234-A238 HydrophobicContact SD-CB 4Å; M234-F243 HydrophobicContact CB-CE1 4.41Å; M234-F243 HydrophobicContact CB-CZ 4.18Å; M234-F243 HydrophobicContact CG-CE1 3.97Å; M234-F243 HydrophobicContact CG-CZ 3.78Å; M234-L247 HydrophobicContact CE-CD1 4.38Å; M234-L247 HydrophobicContact CE-CD2 4.28Å; M234-L247 HydrophobicContact CG-CD1 3.71Å; M234-L247 HydrophobicContact SD-CD1 3.95Å; M234-Y267 HydrophobicContact CG-CG 4.49Å; M234-I269 HydrophobicContact CE-CG2 4.28Å; M234-Q274 HydrophobicContact SD-CB 4.46Å; M234-Q274 HydrophobicContact SD-CG 4.29Å |
| 235 | Q | 92.5 | Very high | 90.9 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -15.5 | 176.6 | -75.3 | 175.9 | -25.8 | 0 | 0 | 114.2 | K231 V233 F243 | K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.48Å; K231-Q235 PolarHBondContact O-N 2.9Å; V233-Q235 PolarHBondContact O-N 3.32Å; Q235-F243 HydrophobicContact CB-CZ 4.22Å; Q235-F243 HydrophobicContact CG-CE1 4.2Å; Q235-F243 HydrophobicContact CG-CE2 4.03Å; Q235-F243 HydrophobicContact CG-CZ 3.47Å; Q235-F243 VanDerWaalsContact CG-CZ 3.47Å |
| 236 | E | 93 | Very high | 90.4 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -86.4 | -26.2 | 176.9 | -65.2 | -175.6 | -172.8 | 0 | 0 | 112.7 | M1 V233 M234 R281 R405 L406 | M1-E236 WeakPolarHBondContact CG-O 3.5Å; M1-E236 PolarHBondContact N-O 3.45Å; V233-E236 WeakPolarHBondContact O-CB 3.49Å; V233-E236 PolarHBondContact O-N 2.82Å; M234-E236 PolarHBondContact O-N 3.1Å; M234-E236 VanDerWaalsContact O-N 3.1Å; E236-R281 VanDerWaalsContact CD-NE 3.27Å; E236-R281 IonicContact OE1-CZ 2.61Å; E236-R281 IonicContact OE1-NE 2.67Å; E236-R281 PolarHBondContact OE1-NE 3.46Å; E236-R281 IonicContact OE1-NH2 2.83Å; E236-R281 PolarHBondContact OE1-NH2 3.04Å; E236-R281 WeakPolarHBondContact OE2-CD 3.45Å; E236-R281 IonicContact OE2-CZ 2.73Å; E236-R281 IonicContact OE2-NE 3.94Å; E236-R281 PolarHBondContact OE2-NE 3.34Å; E236-R281 IonicContact OE2-NH2 2.79Å; E236-R405 HydrophobicContact CB-CG 3.89Å; E236-R405 HydrophobicContact CG-CG 4.15Å; E236-R405 WeakPolarHBondContact O-CG 3.41Å; E236-L406 HydrophobicContact CB-CD2 3.93Å |
| 237 | V | 93.7 | Very high | 90.2 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -112.1 | -14.8 | -174.6 | -60.9 | 0 | 0 | 0 | 0 | 114.6 | M1 M229 M234 Q274 A277 A278 L406 | M1-V237 WeakPolarHBondContact CE-O 3.37Å; M1-V237 VanDerWaalsContact SD-O 3.39Å; M229-V237 HydrophobicContact CE-CG2 3.82Å; M229-V237 HydrophobicContact SD-CG2 4.37Å; M234-V237 WeakPolarHBondContact O-CG2 3.29Å; M234-V237 PolarHBondContact O-N 3.06Å; M234-V237 VanDerWaalsContact O-N 3.1Å; M234-V237 HydrophobicContact SD-CG2 3.92Å; V237-Q274 HydrophobicContact CG2-CB 3.87Å; V237-Q274 HydrophobicContact CG2-CG 4Å; V237-A277 HydrophobicContact CG1-CB 4.04Å; V237-A278 HydrophobicContact CG1-CB 4.38Å; V237-L406 HydrophobicContact CG1-CD1 3.91Å; V237-L406 HydrophobicContact CG1-CD2 3.82Å; V237-L406 HydrophobicContact CG1-CG 4.19Å |
| 238 | A | 90.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -109.6 | 150.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | M234 Q242 F243 L247 | M234-A238 HydrophobicContact CG-CB 4.17Å; M234-A238 WeakPolarHBondContact O-CB 3.32Å; M234-A238 PolarHBondContact O-N 2.76Å; M234-A238 HydrophobicContact SD-CB 4Å; A238-Q242 HydrophobicContact CB-CB 4.45Å; A238-F243 HydrophobicContact CB-CE2 3.91Å; A238-F243 HydrophobicContact CB-CZ 4.37Å; A238-L247 HydrophobicContact CB-CD1 3.96Å |
| 239 | Q | 83.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | trans | -81.2 | 157.4 | 170.6 | -60.1 | 175.6 | 18.5 | 0 | 0 | 110.5 | M1 S241 Q242 F243 | M1-Q239 HydrophobicContact CE-CG 3.65Å; Q239-S241 VanDerWaalsContact C-N 3.31Å; Q239-S241 PolarHBondContact O-N 3.44Å; Q239-Q242 HydrophobicContact CB-CG 4.23Å; Q239-Q242 WeakPolarHBondContact O-CB 3.2Å; Q239-Q242 PolarHBondContact O-N 3.09Å; Q239-F243 WeakPolarHBondContact O-CD2 3.37Å | ||
| 240 | L | 78.8 | Confident | 90 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.8 | -43.4 | -179.8 | -69.4 | 172.4 | 0 | 0 | 0 | 112.3 | I134 Q242 F243 | I134-L240 HydrophobicContact CG2-CD1 4.17Å; I134-L240 HydrophobicContact CG2-CG 4.32Å; L240-Q242 PolarHBondContact O-N 3.32Å; L240-F243 WeakPolarHBondContact O-CB 3.44Å; L240-F243 PolarHBondContact O-N 3.38Å; L240-F243 VanDerWaalsContact O-N 3.15Å |
| 241 | S | 81.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.4 | -31.5 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | Q239 F243 D244 Q245 | Q239-S241 VanDerWaalsContact C-N 3.31Å; Q239-S241 PolarHBondContact O-N 3.44Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 2.72Å; S241-D244 PolarHBondContact O-N 3.18Å; S241-Q245 WeakPolarHBondContact O-CB 3.39Å; S241-Q245 WeakPolarHBondContact O-CG 3.41Å; S241-Q245 PolarHBondContact O-N 3.34Å; S241-Q245 VanDerWaalsContact O-N 3.08Å |
| 242 | Q | 80.3 | Confident | 89.5 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -29.6 | -179.7 | -63.3 | -178 | -77.7 | 0 | 0 | 112.1 | A238 Q239 L240 D244 E246 L247 | A238-Q242 HydrophobicContact CB-CB 4.45Å; Q239-Q242 HydrophobicContact CB-CG 4.23Å; Q239-Q242 WeakPolarHBondContact O-CB 3.2Å; Q239-Q242 PolarHBondContact O-N 3.09Å; L240-Q242 PolarHBondContact O-N 3.32Å; Q242-D244 VanDerWaalsContact C-N 3.27Å; Q242-D244 PolarHBondContact O-N 3Å; Q242-E246 HydrophobicContact CB-CB 4.3Å; Q242-E246 PolarHBondContact NE2-OE2 2.89Å; Q242-E246 WeakPolarHBondContact O-CA 3.42Å; Q242-E246 WeakPolarHBondContact O-CB 3.37Å; Q242-E246 PolarHBondContact O-N 3.33Å; Q242-L247 HydrophobicContact CB-CG 4.48Å; Q242-L247 WeakPolarHBondContact O-CG 3.08Å; Q242-L247 PolarHBondContact O-N 3.25Å |
| 243 | F | 83.9 | Confident | 89.3 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 175.4 | -78.1 | -88.5 | 0 | 0 | 0 | 112.5 | M234 Q235 A238 Q239 L240 S241 L247 Y267 | M234-F243 HydrophobicContact CB-CE1 4.41Å; M234-F243 HydrophobicContact CB-CZ 4.18Å; M234-F243 HydrophobicContact CG-CE1 3.97Å; M234-F243 HydrophobicContact CG-CZ 3.78Å; Q235-F243 HydrophobicContact CB-CZ 4.22Å; Q235-F243 HydrophobicContact CG-CE1 4.2Å; Q235-F243 HydrophobicContact CG-CE2 4.03Å; Q235-F243 HydrophobicContact CG-CZ 3.47Å; Q235-F243 VanDerWaalsContact CG-CZ 3.47Å; A238-F243 HydrophobicContact CB-CE2 3.91Å; A238-F243 HydrophobicContact CB-CZ 4.37Å; Q239-F243 WeakPolarHBondContact O-CD2 3.37Å; L240-F243 WeakPolarHBondContact O-CB 3.44Å; L240-F243 PolarHBondContact O-N 3.38Å; L240-F243 VanDerWaalsContact O-N 3.15Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 2.72Å; F243-L247 HydrophobicContact CD1-CD1 4.15Å; F243-L247 HydrophobicContact CE1-CD1 4.25Å; F243-L247 HydrophobicContact CG-CD1 4.3Å; F243-L247 HydrophobicContact CZ-CD1 4.46Å; F243-Y267 HydrophobicContact CD1-CD1 4.17Å; F243-Y267 AromaticContact CD1-CE1 3.68Å; F243-Y267 HydrophobicContact CD1-CE1 3.68Å; F243-Y267 HydrophobicContact CD1-CE2 4.13Å; F243-Y267 AromaticContact CD1-CZ 3.65Å; F243-Y267 HydrophobicContact CE1-CD1 4.38Å; F243-Y267 HydrophobicContact CE1-CD2 4.05Å; F243-Y267 HydrophobicContact CE1-CE1 4.13Å; F243-Y267 AromaticContact CE1-CE2 3.81Å; F243-Y267 HydrophobicContact CE1-CE2 3.81Å; F243-Y267 HydrophobicContact CE1-CG 4.33Å; F243-Y267 AromaticContact CE1-CZ 3.83Å |
| 244 | D | 81.6 | Confident | 88.7 | Confident | 126 Ų | 126 | 56.5 Ų | 56.5 | 67% | 0.674 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -89.5 | -28.5 | -176.9 | -63.6 | -34.9 | 0 | 0 | 0 | 112.7 | S241 Q242 | S241-D244 PolarHBondContact O-N 3.18Å; Q242-D244 VanDerWaalsContact C-N 3.27Å; Q242-D244 PolarHBondContact O-N 3Å |
| 245 | Q | 85 | Confident | 88.2 | Confident | 110 Ų | 110 | 58.1 Ų | 58.1 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -111.1 | -25.8 | -168.7 | -62.3 | 179 | -7.4 | 0 | 0 | 114.9 | S241 V305 | S241-Q245 WeakPolarHBondContact O-CB 3.39Å; S241-Q245 WeakPolarHBondContact O-CG 3.41Å; S241-Q245 PolarHBondContact O-N 3.34Å; S241-Q245 VanDerWaalsContact O-N 3.08Å; Q245-V305 HydrophobicContact CB-CB 4.37Å; Q245-V305 WeakPolarHBondContact O-CB 3.3Å; Q245-V305 PolarHBondContact O-N 2.84Å; Q245-V305 VanDerWaalsContact O-N 3.15Å |
| 246 | E | 88.3 | Confident | 87.9 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -40.2 | -167.4 | -165.1 | 177.1 | -178.9 | 0 | 0 | 112.7 | Q242 A270 R302 Q303 | Q242-E246 HydrophobicContact CB-CB 4.3Å; Q242-E246 PolarHBondContact NE2-OE2 2.89Å; Q242-E246 WeakPolarHBondContact O-CA 3.42Å; Q242-E246 WeakPolarHBondContact O-CB 3.37Å; Q242-E246 PolarHBondContact O-N 3.33Å; E246-A270 HydrophobicContact CG-CB 3.93Å; E246-A270 WeakPolarHBondContact OE1-CB 3.47Å; E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.97Å; E246-R302 CarbonylContact O-C 3.34Å; E246-R302 WeakPolarHBondContact O-CA 3.33Å; E246-R302 IonicContact OE1-CZ 3.59Å; E246-R302 IonicContact OE1-NE 3.42Å; E246-R302 PolarHBondContact OE1-NE 3.21Å; E246-R302 IonicContact OE1-NH2 3.36Å; E246-Q303 PolarHBondContact O-N 3.3Å |
| 247 | L | 94.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 126.1 | -168.2 | -59.5 | 178.2 | 0 | 0 | 0 | 113.5 | M234 A238 Q242 F243 Y267 A270 Q303 | M234-L247 HydrophobicContact CE-CD1 4.38Å; M234-L247 HydrophobicContact CE-CD2 4.28Å; M234-L247 HydrophobicContact CG-CD1 3.71Å; M234-L247 HydrophobicContact SD-CD1 3.95Å; A238-L247 HydrophobicContact CB-CD1 3.96Å; Q242-L247 HydrophobicContact CB-CG 4.48Å; Q242-L247 WeakPolarHBondContact O-CG 3.08Å; Q242-L247 PolarHBondContact O-N 3.25Å; F243-L247 HydrophobicContact CD1-CD1 4.15Å; F243-L247 HydrophobicContact CE1-CD1 4.25Å; F243-L247 HydrophobicContact CG-CD1 4.3Å; F243-L247 HydrophobicContact CZ-CD1 4.46Å; L247-Y267 HydrophobicContact CB-CD1 3.91Å; L247-A270 HydrophobicContact CD2-CB 3.88Å; L247-Q303 PolarHBondContact O-NE2 3.43Å |
| 248 | Y | 96.7 | Very high | 87.3 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 29% | 0.286 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 130 | 167 | -75.8 | -86.3 | 0 | 0 | 0 | 111.2 | Y267 L268 F301 R302 Q303 H319 | Y248-Y267 CarbonylContact O-C 3.51Å; Y248-Y267 VanDerWaalsContact O-CA 3.24Å; Y248-Y267 WeakPolarHBondContact O-CA 3.37Å; Y248-L268 PolarHBondContact O-N 2.87Å; Y248-F301 HydrophobicContact CD2-CB 4.06Å; Y248-R302 VanDerWaalsContact CE2-C 3.46Å; Y248-Q303 HydrophobicContact CD1-CG 3.87Å; Y248-Q303 HydrophobicContact CD2-CG 3.68Å; Y248-Q303 HydrophobicContact CE1-CG 3.82Å; Y248-Q303 HydrophobicContact CE2-CB 4.24Å; Y248-Q303 HydrophobicContact CE2-CG 3.65Å; Y248-Q303 HydrophobicContact CG-CG 3.8Å; Y248-H319 HydrophobicContact CE2-CB 4.39Å; Y248-H319 VanDerWaalsContact OH-CG 3.23Å; Y248-H319 PolarHBondContact OH-ND1 2.85Å |
| 249 | K | 96.2 | Very high | 87 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134.3 | 171.8 | -172.9 | -179.1 | -179.5 | -177.3 | 0 | 110.6 | T251 E265 Y267 | K249-T251 HydrophobicContact CD-CG2 4.37Å; K249-T251 HydrophobicContact CG-CG2 4.41Å; K249-E265 VanDerWaalsContact CE-OE1 3.25Å; K249-E265 WeakPolarHBondContact CE-OE1 3.37Å; K249-E265 IonicContact NZ-OE1 3.9Å; K249-E265 PolarHBondContact NZ-OE1 3.24Å; K249-E265 IonicContact NZ-OE2 3.18Å; K249-Y267 HydrophobicContact CB-CD1 4.21Å; K249-Y267 HydrophobicContact CB-CE1 3.9Å; K249-Y267 HydrophobicContact CG-CE1 4.14Å |
| 250 | V | 95 | Very high | 87.1 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 32% | 0.321 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.4 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | K266 L268 | V250-K266 HydrophobicContact CB-CB 4.26Å; V250-K266 PolarHBondContact N-O 3.22Å; V250-K266 PolarHBondContact O-N 2.87Å; V250-K266 VanDerWaalsContact O-O 3.12Å; V250-L268 HydrophobicContact CG2-CD1 4.32Å; V250-L268 HydrophobicContact CG2-CD2 3.97Å; V250-L268 HydrophobicContact CG2-CG 3.63Å |
| 251 | T | 92.7 | Very high | 87.5 | Confident | 97 Ų | 97 | 82.5 Ų | 82.5 | 60% | 0.595 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.9 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | K249 | K249-T251 HydrophobicContact CD-CG2 4.37Å; K249-T251 HydrophobicContact CG-CG2 4.41Å |
| 252 | G | 87.8 | Confident | 87.8 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 170.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N263 D264 | G252-N263 WeakPolarHBondContact O-CA 3.2Å; G252-D264 PolarHBondContact N-O 3.24Å; G252-D264 VanDerWaalsContact N-O 3.11Å; G252-D264 PolarHBondContact O-N 3.24Å |
| 253 | K | 88 | Confident | 88.2 | Confident | 161 Ų | 161 | 88 Ų | 88 | 70% | 0.7 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 137.6 | 168.4 | -63.1 | -172.3 | 178 | -173.9 | 0 | 109.2 | S255 | K253-S255 WeakPolarHBondContact CB-O 3.32Å; K253-S255 PolarHBondContact O-N 3.48Å |
| 254 | G | 82.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 88.9 Ų | 88.9 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -72.6 | -18.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | T262 | G254-T262 PolarHBondContact N-O 2.96Š|
| 255 | S | 85.1 | Confident | 89.1 | Confident | 34 Ų | 34 | 85.6 Ų | 85.6 | 24% | 0.238 | 47% | 0.474 | C | S | . | . | trans | -143.1 | 150.5 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | K253 V257 D260 | K253-S255 WeakPolarHBondContact CB-O 3.32Å; K253-S255 PolarHBondContact O-N 3.48Å; S255-V257 PolarHBondContact O-N 3.44Å; S255-V257 WeakPolarHBondContact OG-CB 3.17Å; S255-V257 VanDerWaalsContact OG-CG2 3.31Å; S255-V257 WeakPolarHBondContact OG-CG2 3.25Å; S255-V257 PolarHBondContact OG-N 3.05Å; S255-V257 VanDerWaalsContact OG-N 3.14Å; S255-D260 VanDerWaalsContact CB-CG 3.46Å; S255-D260 WeakPolarHBondContact CB-OD2 3.33Å | ||
| 256 | E | 87 | Confident | 89.6 | Confident | 200 Ų | 200 | 82.7 Ų | 82.7 | 94% | 0.935 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -78.2 | -6.6 | 170.3 | -63.2 | -180 | -176.3 | 0 | 0 | 111.9 | V258 | E256-V258 PolarHBondContact O-N 3.31Š|
| 257 | V | 86.7 | Confident | 90.1 | Very high | 94 Ų | 94 | 82 Ų | 82 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -70.9 | 122.7 | 178.2 | 179 | 0 | 0 | 0 | 0 | 110.3 | S255 G259 D260 | S255-V257 PolarHBondContact O-N 3.44Å; S255-V257 WeakPolarHBondContact OG-CB 3.17Å; S255-V257 VanDerWaalsContact OG-CG2 3.31Å; S255-V257 WeakPolarHBondContact OG-CG2 3.25Å; S255-V257 PolarHBondContact OG-N 3.05Å; S255-V257 VanDerWaalsContact OG-N 3.14Å; V257-G259 PolarHBondContact O-N 2.94Å; V257-D260 HydrophobicContact CB-CB 4.31Å; V257-D260 WeakPolarHBondContact O-CB 3.13Å; V257-D260 PolarHBondContact O-N 3.43Å; V257-D260 VanDerWaalsContact O-N 3.14Å |
| 258 | V | 85.7 | Confident | 90.2 | Very high | 143 Ų | 143 | 83.6 Ų | 83.6 | 87% | 0.867 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 125.9 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | E256 | E256-V258 PolarHBondContact O-N 3.31Š|
| 259 | G | 85.1 | Confident | 90.3 | Very high | 72 Ų | 72 | 80.1 Ų | 80.1 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -6.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V257 E261 | V257-G259 PolarHBondContact O-N 2.94Å; G259-E261 PolarHBondContact O-N 3Å |
| 260 | D | 85.7 | Confident | 90.4 | Very high | 59 Ų | 59 | 75.2 Ų | 75.2 | 32% | 0.316 | 43% | 0.429 | S | S | . | . | trans | -77 | 119.5 | 169 | -164.4 | -42.3 | 0 | 0 | 0 | 109.9 | S255 V257 T262 | S255-D260 VanDerWaalsContact CB-CG 3.46Å; S255-D260 WeakPolarHBondContact CB-OD2 3.33Å; V257-D260 HydrophobicContact CB-CB 4.31Å; V257-D260 WeakPolarHBondContact O-CB 3.13Å; V257-D260 PolarHBondContact O-N 3.43Å; V257-D260 VanDerWaalsContact O-N 3.14Å; D260-T262 VanDerWaalsContact OD1-CB 3.22Å; D260-T262 WeakPolarHBondContact OD1-CB 3.17Å; D260-T262 VanDerWaalsContact OD1-CG2 3.27Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.37Å; D260-T262 PolarHBondContact OD1-N 3.45Å; D260-T262 PolarHBondContact OD1-OG1 2.81Å | ||
| 261 | E | 87 | Confident | 90.5 | Very high | 180 Ų | 180 | 73.1 Ų | 73.1 | 84% | 0.841 | 42% | 0.416 | S | S | * | . | trans | -96.9 | 4.8 | -178.9 | -61.5 | -172.3 | 164.6 | 0 | 0 | 113 | G259 | G259-E261 PolarHBondContact O-N 3Š| ||
| 262 | T | 88.8 | Confident | 90.8 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | trans | -67.1 | 140 | 175 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | G254 D260 | G254-T262 PolarHBondContact N-O 2.96Å; D260-T262 VanDerWaalsContact OD1-CB 3.22Å; D260-T262 WeakPolarHBondContact OD1-CB 3.17Å; D260-T262 VanDerWaalsContact OD1-CG2 3.27Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.37Å; D260-T262 PolarHBondContact OD1-N 3.45Å; D260-T262 PolarHBondContact OD1-OG1 2.81Å | ||
| 263 | N | 88 | Confident | 91.3 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.6 | 173.5 | -72.8 | -40.3 | 0 | 0 | 0 | 109 | G252 | G252-N263 WeakPolarHBondContact O-CA 3.2Å |
| 264 | D | 90.5 | Very high | 91.7 | Very high | 48 Ų | 48 | 61 Ų | 61 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.4 | 170.9 | -174.6 | 27.2 | 0 | 0 | 0 | 110.4 | G252 K266 | G252-D264 PolarHBondContact N-O 3.24Å; G252-D264 VanDerWaalsContact N-O 3.11Å; G252-D264 PolarHBondContact O-N 3.24Å; D264-K266 VanDerWaalsContact OD2-CE 3.25Å; D264-K266 WeakPolarHBondContact OD2-CE 3.38Å; D264-K266 IonicContact OD2-NZ 3.6Å; D264-K266 PolarHBondContact OD2-NZ 3.5Å |
| 265 | E | 94 | Very high | 92.5 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.3 | 178.8 | -63 | -171.4 | 162.4 | 0 | 0 | 109.6 | K231 K249 | K231-E265 HydrophobicContact CB-CB 4.4Å; K231-E265 WeakPolarHBondContact CB-O 3.26Å; K231-E265 HydrophobicContact CD-CB 4.23Å; K231-E265 VanDerWaalsContact CD-OE2 3.32Å; K231-E265 WeakPolarHBondContact CD-OE2 3.33Å; K231-E265 PolarHBondContact N-O 3.45Å; K231-E265 VanDerWaalsContact N-O 3.07Å; K231-E265 IonicContact NZ-OE2 3.93Å; K231-E265 PolarHBondContact NZ-OE2 3.21Å; K249-E265 VanDerWaalsContact CE-OE1 3.25Å; K249-E265 WeakPolarHBondContact CE-OE1 3.37Å; K249-E265 IonicContact NZ-OE1 3.9Å; K249-E265 PolarHBondContact NZ-OE1 3.24Å; K249-E265 IonicContact NZ-OE2 3.18Å |
| 266 | K | 96.2 | Very high | 93.1 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 168.9 | 172.4 | -57.9 | -171.9 | 179.1 | 69.5 | 0 | 109.7 | F228 M229 V250 D264 | F228-K266 HydrophobicContact CB-CB 4.42Å; F228-K266 HydrophobicContact CD2-CD 3.55Å; F228-K266 HydrophobicContact CE2-CD 4.05Å; F228-K266 HydrophobicContact CG-CD 4.32Å; M229-K266 CarbonylContact O-C 3.52Å; M229-K266 WeakPolarHBondContact O-CA 3.2Å; M229-K266 WeakPolarHBondContact O-CB 3.13Å; V250-K266 HydrophobicContact CB-CB 4.26Å; V250-K266 PolarHBondContact N-O 3.22Å; V250-K266 PolarHBondContact O-N 2.87Å; V250-K266 VanDerWaalsContact O-O 3.12Å; D264-K266 VanDerWaalsContact OD2-CE 3.25Å; D264-K266 WeakPolarHBondContact OD2-CE 3.38Å; D264-K266 IonicContact OD2-NZ 3.6Å; D264-K266 PolarHBondContact OD2-NZ 3.5Å |
| 267 | Y | 97.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.4 | 175.3 | -69.7 | -94.7 | 0 | 0 | 0 | 109.5 | F228 M229 K231 M234 F243 L247 Y248 K249 | F228-Y267 CarbonylContact C-O 3.56Å; F228-Y267 WeakPolarHBondContact CA-O 3.5Å; M229-Y267 PolarHBondContact N-O 2.7Å; M229-Y267 PolarHBondContact O-N 3.45Å; K231-Y267 HydrophobicContact CB-CD2 4.29Å; K231-Y267 HydrophobicContact CB-CE2 3.88Å; K231-Y267 HydrophobicContact CD-CE2 4.22Å; K231-Y267 HydrophobicContact CG-CE2 3.81Å; M234-Y267 HydrophobicContact CG-CG 4.49Å; F243-Y267 HydrophobicContact CD1-CD1 4.17Å; F243-Y267 AromaticContact CD1-CE1 3.68Å; F243-Y267 HydrophobicContact CD1-CE1 3.68Å; F243-Y267 HydrophobicContact CD1-CE2 4.13Å; F243-Y267 AromaticContact CD1-CZ 3.65Å; F243-Y267 HydrophobicContact CE1-CD1 4.38Å; F243-Y267 HydrophobicContact CE1-CD2 4.05Å; F243-Y267 HydrophobicContact CE1-CE1 4.13Å; F243-Y267 AromaticContact CE1-CE2 3.81Å; F243-Y267 HydrophobicContact CE1-CE2 3.81Å; F243-Y267 HydrophobicContact CE1-CG 4.33Å; F243-Y267 AromaticContact CE1-CZ 3.83Å; L247-Y267 HydrophobicContact CB-CD1 3.91Å; Y248-Y267 CarbonylContact O-C 3.51Å; Y248-Y267 VanDerWaalsContact O-CA 3.24Å; Y248-Y267 WeakPolarHBondContact O-CA 3.37Å; K249-Y267 HydrophobicContact CB-CD1 4.21Å; K249-Y267 HydrophobicContact CB-CE1 3.9Å; K249-Y267 HydrophobicContact CG-CE1 4.14Å |
| 268 | L | 98.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 143.7 | 169.6 | -68 | 172.9 | 0 | 0 | 0 | 109.5 | F227 F228 Y248 V250 F301 | F227-L268 CarbonylContact O-C 3.54Å; F227-L268 VanDerWaalsContact O-CA 3.26Å; F227-L268 WeakPolarHBondContact O-CA 3.43Å; F227-L268 WeakPolarHBondContact O-CD2 3.25Å; F228-L268 HydrophobicContact CB-CD2 4.34Å; Y248-L268 PolarHBondContact O-N 2.87Å; V250-L268 HydrophobicContact CG2-CD1 4.32Å; V250-L268 HydrophobicContact CG2-CD2 3.97Å; V250-L268 HydrophobicContact CG2-CG 3.63Å; L268-F301 HydrophobicContact CB-CB 3.78Å; L268-F301 HydrophobicContact CB-CD2 3.84Å; L268-F301 HydrophobicContact CB-CG 3.9Å; L268-F301 HydrophobicContact CD1-CB 4.06Å; L268-F301 HydrophobicContact CD1-CD1 3.85Å; L268-F301 HydrophobicContact CD1-CD2 4.18Å; L268-F301 HydrophobicContact CD1-CE1 4.34Å; L268-F301 HydrophobicContact CD1-CG 3.75Å; L268-F301 HydrophobicContact CD2-CD2 4.21Å; L268-F301 HydrophobicContact CD2-CE2 4.28Å; L268-F301 HydrophobicContact CG-CD2 4.29Å; L268-F301 HydrophobicContact CG-CG 4.28Å |
| 269 | I | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -75.2 | 139.6 | -178.6 | 67.2 | 175 | 0 | 0 | 0 | 110.8 | F227 M229 M234 Q274 P275 F301 | F227-I269 HydrophobicContact CD1-CD1 4.23Å; F227-I269 PolarHBondContact O-N 2.77Å; M229-I269 HydrophobicContact CG-CG2 3.82Å; M229-I269 HydrophobicContact SD-CG2 3.94Å; M234-I269 HydrophobicContact CE-CG2 4.28Å; I269-Q274 VanDerWaalsContact CA-OE1 3.28Å; I269-P275 HydrophobicContact CD1-CG 3.94Å; I269-P275 HydrophobicContact CG2-CG 4.17Å; I269-F301 PolarHBondContact O-N 2.94Å | ||
| 270 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -88.9 | -11.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E246 L247 C300 F301 R302 | E246-A270 HydrophobicContact CG-CB 3.93Å; E246-A270 WeakPolarHBondContact OE1-CB 3.47Å; L247-A270 HydrophobicContact CD2-CB 3.88Å; A270-C300 WeakPolarHBondContact O-CB 3.46Å; A270-F301 WeakPolarHBondContact CA-O 3.32Å; A270-R302 HydrophobicContact CB-CG 4.07Å; A270-R302 PolarHBondContact O-NE 2.87Å |
| 271 | T | 97.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -166.9 | 146.9 | -178.4 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | E273 Q274 P275 K323 | T271-E273 HydrophobicContact CG2-CB 3.74Å; T271-E273 PolarHBondContact O-N 2.73Å; T271-E273 WeakPolarHBondContact OG1-CB 3.41Å; T271-E273 PolarHBondContact OG1-N 2.87Å; T271-Q274 HydrophobicContact CG2-CG 3.91Å; T271-Q274 PolarHBondContact O-N 2.89Å; T271-P275 WeakPolarHBondContact O-CD 3.17Å; T271-K323 PolarHBondContact OG1-NZ 3.45Å |
| 272 | S | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | 171.9 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | Q274 P275 I276 S298 E325 | S272-Q274 PolarHBondContact O-N 2.91Å; S272-P275 WeakPolarHBondContact O-CD 3.34Å; S272-P275 WeakPolarHBondContact O-CG 3.48Å; S272-I276 WeakPolarHBondContact O-CB 3.23Å; S272-I276 WeakPolarHBondContact O-CD1 3.48Å; S272-I276 WeakPolarHBondContact O-CG1 3.17Å; S272-I276 PolarHBondContact O-N 2.74Å; S272-S298 WeakPolarHBondContact CB-OG 3.38Å; S272-E325 WeakPolarHBondContact OG-CB 3.42Å |
| 273 | E | 98 | Very high | 96.6 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -49.1 | -43.9 | 169 | -177.7 | -160.5 | 167.6 | 0 | 0 | 112.2 | T271 I276 A277 F327 Q402 N427 | T271-E273 HydrophobicContact CG2-CB 3.74Å; T271-E273 PolarHBondContact O-N 2.73Å; T271-E273 WeakPolarHBondContact OG1-CB 3.41Å; T271-E273 PolarHBondContact OG1-N 2.87Å; E273-I276 PolarHBondContact O-N 3.11Å; E273-A277 VanDerWaalsContact O-CB 3.24Å; E273-A277 WeakPolarHBondContact O-CB 3.37Å; E273-A277 PolarHBondContact O-N 2.8Å; E273-F327 HydrophobicContact CB-CD2 4.29Å; E273-F327 HydrophobicContact CB-CE2 4.48Å; E273-F327 HydrophobicContact CG-CD2 3.81Å; E273-F327 HydrophobicContact CG-CE2 3.6Å; E273-Q402 PolarHBondContact OE1-NE2 3.49Å; E273-N427 HydrophobicContact CB-CB 4.45Å; E273-N427 HydrophobicContact CG-CB 3.84Å; E273-N427 PolarHBondContact OE1-ND2 2.85Å |
| 274 | Q | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -56 | -175.6 | -71.1 | 166.6 | -21.7 | 0 | 0 | 112.4 | M229 M234 V237 I269 T271 S272 A278 | M229-Q274 VanDerWaalsContact SD-C 3.6Å; M229-Q274 HydrophobicContact SD-CB 3.63Å; M234-Q274 HydrophobicContact SD-CB 4.46Å; M234-Q274 HydrophobicContact SD-CG 4.29Å; V237-Q274 HydrophobicContact CG2-CB 3.87Å; V237-Q274 HydrophobicContact CG2-CG 4Å; I269-Q274 VanDerWaalsContact CA-OE1 3.28Å; T271-Q274 HydrophobicContact CG2-CG 3.91Å; T271-Q274 PolarHBondContact O-N 2.89Å; S272-Q274 PolarHBondContact O-N 2.91Å; Q274-A278 WeakPolarHBondContact O-CB 3.13Å; Q274-A278 PolarHBondContact O-N 3.37Å |
| 275 | P | 98.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 34 Ų | 34 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.9 | -30.8 | 176.9 | 25.5 | -34.6 | 0 | 0 | 0 | 113 | T225 M229 I269 T271 S272 A278 Y279 | T225-P275 HydrophobicContact CG2-CB 4.34Å; T225-P275 HydrophobicContact CG2-CG 3.84Å; M229-P275 HydrophobicContact CG-CB 4.48Å; M229-P275 HydrophobicContact SD-CB 4.18Å; I269-P275 HydrophobicContact CD1-CG 3.94Å; I269-P275 HydrophobicContact CG2-CG 4.17Å; T271-P275 WeakPolarHBondContact O-CD 3.17Å; S272-P275 WeakPolarHBondContact O-CD 3.34Å; S272-P275 WeakPolarHBondContact O-CG 3.48Å; P275-A278 CarbonylContact O-C 3.51Å; P275-A278 PolarHBondContact O-N 3.21Å; P275-Y279 WeakPolarHBondContact O-CB 3.27Å; P275-Y279 PolarHBondContact O-N 2.92Å |
| 276 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.4 | -43 | 178.3 | -62.9 | 170.6 | 0 | 0 | 0 | 111.1 | L223 T225 S272 E273 A278 Y279 Y294 F327 | L223-I276 HydrophobicContact CD2-CD1 4.31Å; L223-I276 HydrophobicContact CD2-CG1 3.83Å; L223-I276 HydrophobicContact CD2-CG2 4.37Å; T225-I276 HydrophobicContact CG2-CD1 4.12Å; T225-I276 HydrophobicContact CG2-CG1 3.69Å; S272-I276 WeakPolarHBondContact O-CB 3.23Å; S272-I276 WeakPolarHBondContact O-CD1 3.48Å; S272-I276 WeakPolarHBondContact O-CG1 3.17Å; S272-I276 PolarHBondContact O-N 2.74Å; E273-I276 PolarHBondContact O-N 3.11Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.49Å; I276-Y279 WeakPolarHBondContact O-CB 3.36Å; I276-Y279 PolarHBondContact O-N 3.43Å; I276-Y279 VanDerWaalsContact O-N 3.11Å; I276-Y294 HydrophobicContact CG2-CD2 3.69Å; I276-Y294 HydrophobicContact CG2-CE2 4.36Å; I276-Y294 HydrophobicContact CG2-CG 4.21Å; I276-F327 HydrophobicContact CB-CB 4.48Å; I276-F327 HydrophobicContact CB-CD1 4.41Å; I276-F327 HydrophobicContact CB-CG 4.22Å; I276-F327 HydrophobicContact CD1-CB 4.31Å; I276-F327 HydrophobicContact CG2-CB 3.87Å; I276-F327 HydrophobicContact CG2-CD1 3.46Å; I276-F327 VanDerWaalsContact CG2-CD1 3.46Å; I276-F327 HydrophobicContact CG2-CD2 4.36Å; I276-F327 HydrophobicContact CG2-CE1 4.07Å; I276-F327 HydrophobicContact CG2-CG 3.63Å |
| 277 | A | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V237 E273 Y279 F327 L406 | V237-A277 HydrophobicContact CG1-CB 4.04Å; E273-A277 VanDerWaalsContact O-CB 3.24Å; E273-A277 WeakPolarHBondContact O-CB 3.37Å; E273-A277 PolarHBondContact O-N 2.8Å; A277-Y279 VanDerWaalsContact C-N 3.27Å; A277-Y279 PolarHBondContact O-N 2.73Å; A277-F327 HydrophobicContact CB-CE2 3.98Å; A277-F327 HydrophobicContact CB-CZ 3.66Å; A277-L406 HydrophobicContact CB-CD1 3.72Å; A277-L406 VanDerWaalsContact O-CD1 3.32Å; A277-L406 WeakPolarHBondContact O-CD1 3.36Å |
| 278 | A | 97.9 | Very high | 97.2 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71 | -16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M229 V233 V237 Q274 P275 I276 H280 R281 L406 | M229-A278 HydrophobicContact CE-CB 3.57Å; V233-A278 HydrophobicContact CG1-CB 3.56Å; V237-A278 HydrophobicContact CG1-CB 4.38Å; Q274-A278 WeakPolarHBondContact O-CB 3.13Å; Q274-A278 PolarHBondContact O-N 3.37Å; P275-A278 CarbonylContact O-C 3.51Å; P275-A278 PolarHBondContact O-N 3.21Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 PolarHBondContact O-N 3.49Å; A278-H280 VanDerWaalsContact C-N 3.26Å; A278-H280 PolarHBondContact O-N 2.57Å; A278-R281 WeakPolarHBondContact O-CB 3.31Å; A278-R281 PolarHBondContact O-N 3.25Å; A278-L406 HydrophobicContact CB-CD2 4.34Å |
| 279 | Y | 98.2 | Very high | 97.1 | Very high | 142 Ų | 142 | 41.4 Ų | 41.4 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.2 | -37.7 | 179.2 | -173.3 | -108.5 | 0 | 0 | 0 | 111.6 | P275 I276 A277 | P275-Y279 WeakPolarHBondContact O-CB 3.27Å; P275-Y279 PolarHBondContact O-N 2.92Å; I276-Y279 WeakPolarHBondContact O-CB 3.36Å; I276-Y279 PolarHBondContact O-N 3.43Å; I276-Y279 VanDerWaalsContact O-N 3.11Å; A277-Y279 VanDerWaalsContact C-N 3.27Å; A277-Y279 PolarHBondContact O-N 2.73Å |
| 280 | H | 97.5 | Very high | 97.1 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 14.5 | 179.3 | -67.6 | -70.9 | 0 | 0 | 0 | 114.3 | A278 N282 E283 I285 Y294 L329 V408 | A278-H280 VanDerWaalsContact C-N 3.26Å; A278-H280 PolarHBondContact O-N 2.57Å; H280-N282 PolarHBondContact O-N 3.42Å; H280-E283 IonicContact CE1-OE2 3.43Å; H280-E283 IonicContact CG-OE2 3.63Å; H280-E283 IonicContact ND1-OE2 2.73Å; H280-E283 PolarHBondContact ND1-OE2 3.43Å; H280-E283 VanDerWaalsContact O-CB 3.31Å; H280-E283 WeakPolarHBondContact O-CB 3.34Å; H280-E283 WeakPolarHBondContact O-CG 3.34Å; H280-E283 PolarHBondContact O-N 3.23Å; H280-E283 VanDerWaalsContact O-N 3.12Å; H280-I285 HydrophobicContact CB-CD1 4.43Å; H280-Y294 PolarHBondContact CE1-OH 3.02Å; H280-Y294 AromaticContact NE2-CE2 3.27Å; H280-Y294 VanDerWaalsContact NE2-CE2 3.27Å; H280-Y294 WeakPolarHBondContact NE2-CE2 3.22Å; H280-Y294 AromaticContact NE2-CZ 3.67Å; H280-Y294 PolarHBondContact NE2-OH 3.03Å; H280-L329 HydrophobicContact CB-CD2 4.02Å; H280-L329 VanDerWaalsContact CD2-CD2 3.48Å; H280-L329 WeakPolarHBondContact CD2-CD2 3.49Å; H280-V408 HydrophobicContact CB-CG1 3.87Å; H280-V408 HydrophobicContact CB-CG2 4.13Å; H280-V408 WeakPolarHBondContact O-CG2 3.46Å |
| 281 | R | 96.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 130.6 | -174.4 | -174.3 | -171.5 | 175.4 | -111.4 | 5.7 | 111.3 | E236 A278 E283 L406 | E236-R281 VanDerWaalsContact CD-NE 3.27Å; E236-R281 IonicContact OE1-CZ 2.61Å; E236-R281 IonicContact OE1-NE 2.67Å; E236-R281 PolarHBondContact OE1-NE 3.46Å; E236-R281 IonicContact OE1-NH2 2.83Å; E236-R281 PolarHBondContact OE1-NH2 3.04Å; E236-R281 WeakPolarHBondContact OE2-CD 3.45Å; E236-R281 IonicContact OE2-CZ 2.73Å; E236-R281 IonicContact OE2-NE 3.94Å; E236-R281 PolarHBondContact OE2-NE 3.34Å; E236-R281 IonicContact OE2-NH2 2.79Å; A278-R281 WeakPolarHBondContact O-CB 3.31Å; A278-R281 PolarHBondContact O-N 3.25Å; R281-E283 VanDerWaalsContact C-N 3.28Å; R281-E283 PolarHBondContact O-N 3.01Å; R281-L406 CarbonylContact C-O 3.49Å; R281-L406 WeakPolarHBondContact CA-O 3.23Å; R281-L406 HydrophobicContact CB-CD2 4.16Å; R281-L406 HydrophobicContact CG-CD2 3.99Å; R281-L406 WeakPolarHBondContact CG-O 3.28Å |
| 282 | N | 96.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 11.7 | -176.4 | -57 | -64.4 | 0 | 0 | 0 | 116.3 | H280 L406 K407 | H280-N282 PolarHBondContact O-N 3.42Å; N282-L406 PolarHBondContact N-O 2.53Å; N282-K407 CarbonylContact C-O 3.58Å; N282-K407 WeakPolarHBondContact CA-O 3.36Å; N282-K407 WeakPolarHBondContact OD1-CD 3.2Å |
| 283 | E | 95.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | trans | -83 | 160.7 | -179.2 | -64.6 | -175.4 | 175.5 | 0 | 0 | 113.9 | H280 R281 R409 | H280-E283 IonicContact CE1-OE2 3.43Å; H280-E283 IonicContact CG-OE2 3.63Å; H280-E283 IonicContact ND1-OE2 2.73Å; H280-E283 PolarHBondContact ND1-OE2 3.43Å; H280-E283 VanDerWaalsContact O-CB 3.31Å; H280-E283 WeakPolarHBondContact O-CB 3.34Å; H280-E283 WeakPolarHBondContact O-CG 3.34Å; H280-E283 PolarHBondContact O-N 3.23Å; H280-E283 VanDerWaalsContact O-N 3.12Å; R281-E283 VanDerWaalsContact C-N 3.28Å; R281-E283 PolarHBondContact O-N 3.01Å; E283-R409 PolarHBondContact O-N 3.03Å | ||
| 284 | W | 96.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.8 | 164.7 | -75.1 | 88.1 | 0 | 0 | 0 | 107.1 | R409 G411 K414 V420 | W284-R409 HydrophobicContact CD2-CB 3.74Å; W284-R409 HydrophobicContact CD2-CG 4.42Å; W284-R409 HydrophobicContact CE3-CB 3.51Å; W284-R409 HydrophobicContact CE3-CG 4.46Å; W284-R409 HydrophobicContact CG-CB 4.33Å; W284-R409 HydrophobicContact CH2-CB 4.22Å; W284-R409 HydrophobicContact CH2-CG 4.45Å; W284-R409 HydrophobicContact CZ2-CB 4.43Å; W284-R409 HydrophobicContact CZ2-CG 4.43Å; W284-R409 HydrophobicContact CZ3-CB 3.77Å; W284-R409 HydrophobicContact CZ3-CG 4.48Å; W284-G411 WeakPolarHBondContact CB-O 3.36Å; W284-K414 HydrophobicContact CH2-CB 4.2Å; W284-K414 HydrophobicContact CH2-CG 3.44Å; W284-K414 VanDerWaalsContact CH2-CG 3.44Å; W284-K414 VanDerWaalsContact CH2-N 3.33Å; W284-K414 HydrophobicContact CZ2-CG 3.61Å; W284-V420 HydrophobicContact CH2-CG1 3.99Å; W284-V420 HydrophobicContact CH2-CG2 4.32Å; W284-V420 HydrophobicContact CZ3-CG1 4.43Å |
| 285 | I | 96.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.8 | -176.2 | -56.3 | -178.7 | 0 | 0 | 0 | 109 | H280 D289 L290 I292 L329 V408 R409 G411 V423 | H280-I285 HydrophobicContact CB-CD1 4.43Å; I285-D289 HydrophobicContact CG2-CB 4.15Å; I285-L290 HydrophobicContact CG2-CD1 4.35Å; I285-L290 HydrophobicContact CG2-CD2 3.71Å; I285-L290 HydrophobicContact CG2-CG 3.85Å; I285-I292 HydrophobicContact CD1-CD1 4.23Å; I285-I292 HydrophobicContact CG2-CD1 3.9Å; I285-L329 HydrophobicContact CD1-CD2 3.5Å; I285-V408 HydrophobicContact CD1-CG1 3.44Å; I285-V408 VanDerWaalsContact CD1-CG1 3.44Å; I285-V408 HydrophobicContact CG1-CG1 4.06Å; I285-R409 PolarHBondContact N-O 3.26Å; I285-G411 PolarHBondContact O-N 2.71Å; I285-V423 HydrophobicContact CB-CG1 4.22Å; I285-V423 HydrophobicContact CD1-CG1 4.27Å |
| 286 | G | 95 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | trans | -68 | 148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A288 D289 | G286-A288 PolarHBondContact O-N 2.79Å; G286-D289 WeakPolarHBondContact CA-OD2 3.12Å; G286-D289 PolarHBondContact N-OD2 2.88Å; G286-D289 PolarHBondContact O-N 2.61Å | ||
| 287 | E | 94.7 | Very high | 97.3 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -58.6 | -36.2 | -179.2 | -53.8 | -178.8 | -172 | 0 | 0 | 112.3 | D289 L290 Y410 | E287-D289 VanDerWaalsContact C-N 3.26Å; E287-D289 PolarHBondContact O-N 3.26Å; E287-L290 PolarHBondContact O-N 2.89Å; E287-Y410 HydrophobicContact CG-CE1 4.17Å; E287-Y410 HydrophobicContact CG-CE2 4.03Å; E287-Y410 WeakPolarHBondContact CG-OH 3.48Å |
| 288 | A | 96 | Very high | 97.4 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 81% | 0.81 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -73.1 | -15.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | G286 | G286-A288 PolarHBondContact O-N 2.79Š|
| 289 | D | 96.5 | Very high | 97.4 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -87.4 | -12.4 | 178.9 | -53.9 | -51.3 | 0 | 0 | 0 | 111.5 | I285 G286 E287 I292 | I285-D289 HydrophobicContact CG2-CB 4.15Å; G286-D289 WeakPolarHBondContact CA-OD2 3.12Å; G286-D289 PolarHBondContact N-OD2 2.88Å; G286-D289 PolarHBondContact O-N 2.61Å; E287-D289 VanDerWaalsContact C-N 3.26Å; E287-D289 PolarHBondContact O-N 3.26Å; D289-I292 WeakPolarHBondContact O-CG1 3.05Å |
| 290 | L | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 146.4 | -176.8 | -64.3 | 168.6 | 0 | 0 | 0 | 111.7 | I285 E287 I292 L329 Y410 V423 | I285-L290 HydrophobicContact CG2-CD1 4.35Å; I285-L290 HydrophobicContact CG2-CD2 3.71Å; I285-L290 HydrophobicContact CG2-CG 3.85Å; E287-L290 PolarHBondContact O-N 2.89Å; L290-I292 HydrophobicContact CD2-CG1 4.37Å; L290-L329 HydrophobicContact CD2-CB 4.15Å; L290-L329 WeakPolarHBondContact CD2-O 3.49Å; L290-Y410 HydrophobicContact CD1-CD2 3.53Å; L290-Y410 HydrophobicContact CD1-CE2 3.66Å; L290-V423 HydrophobicContact CD1-CG1 4.1Å; L290-V423 HydrophobicContact CD2-CG1 4.31Å |
| 291 | P | 98.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 43 Ų | 43 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | S | Bend | cis | -76.8 | 138.3 | -5.5 | 31.2 | -34.4 | 0 | 0 | 0 | 112.9 | K293 V328 L329 C330 M340 | P291-K293 HydrophobicContact CB-CG 4.46Å; P291-V328 HydrophobicContact CB-CG1 3.96Å; P291-L329 CarbonylContact C-O 3.55Å; P291-L329 WeakPolarHBondContact CA-O 3.48Å; P291-C330 HydrophobicContact CB-CB 4.09Å; P291-M340 HydrophobicContact CB-CE 4.19Å; P291-M340 HydrophobicContact CG-CE 4.06Å |
| 292 | I | 98.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122 | 169.6 | -55.4 | 173.2 | 0 | 0 | 0 | 107.8 | I285 D289 L290 Y294 V328 L329 | I285-I292 HydrophobicContact CD1-CD1 4.23Å; I285-I292 HydrophobicContact CG2-CD1 3.9Å; D289-I292 WeakPolarHBondContact O-CG1 3.05Å; L290-I292 HydrophobicContact CD2-CG1 4.37Å; I292-Y294 HydrophobicContact CG2-CD2 4.14Å; I292-Y294 HydrophobicContact CG2-CE1 4.4Å; I292-Y294 HydrophobicContact CG2-CE2 3.41Å; I292-Y294 VanDerWaalsContact CG2-CE2 3.41Å; I292-V328 WeakPolarHBondContact O-CA 3.3Å; I292-L329 HydrophobicContact CB-CB 4.37Å; I292-L329 HydrophobicContact CB-CD1 4.33Å; I292-L329 PolarHBondContact N-O 3.16Å; I292-L329 PolarHBondContact O-N 3.4Å |
| 293 | K | 98.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.5 | -173.9 | -56.4 | -174.1 | -177 | -171.9 | 0 | 110.9 | F220 I221 P291 V328 E343 | F220-K293 WeakPolarHBondContact CA-O 3.06Å; F220-K293 HydrophobicContact CB-CB 4.37Å; F220-K293 HydrophobicContact CD1-CB 3.65Å; F220-K293 HydrophobicContact CD2-CB 4.16Å; F220-K293 HydrophobicContact CD2-CD 4.1Å; F220-K293 HydrophobicContact CE1-CB 3.86Å; F220-K293 HydrophobicContact CE1-CG 4.49Å; F220-K293 HydrophobicContact CE2-CB 4.35Å; F220-K293 HydrophobicContact CE2-CD 3.79Å; F220-K293 HydrophobicContact CG-CB 3.8Å; F220-K293 HydrophobicContact CZ-CB 4.21Å; F220-K293 HydrophobicContact CZ-CD 4.02Å; F220-K293 HydrophobicContact CZ-CG 4.44Å; I221-K293 PolarHBondContact N-O 3.45Å; P291-K293 HydrophobicContact CB-CG 4.46Å; K293-V328 HydrophobicContact CB-CG2 4.33Å; K293-V328 HydrophobicContact CG-CG1 4.17Å; K293-V328 HydrophobicContact CG-CG2 4.08Å; K293-E343 IonicContact NZ-OE1 3.04Å; K293-E343 PolarHBondContact NZ-OE1 3.45Å; K293-E343 IonicContact NZ-OE2 3.82Å |
| 294 | Y | 98.9 | Very high | 97 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135 | 178.2 | -67.8 | -67.4 | 0 | 0 | 0 | 112.9 | F220 I221 L223 I276 H280 I292 Q326 F327 L329 | F220-Y294 WeakPolarHBondContact CD1-O 3.48Å; I221-Y294 HydrophobicContact CB-CD1 3.98Å; I221-Y294 HydrophobicContact CB-CE1 4.22Å; I221-Y294 HydrophobicContact CD1-CE1 4.43Å; I221-Y294 HydrophobicContact CG2-CD1 4.31Å; I221-Y294 HydrophobicContact CG2-CE1 4.31Å; I221-Y294 CarbonylContact O-C 3.57Å; I221-Y294 WeakPolarHBondContact O-CA 3.37Å; L223-Y294 HydrophobicContact CB-CD1 3.9Å; L223-Y294 HydrophobicContact CB-CG 4.49Å; L223-Y294 HydrophobicContact CD2-CD1 3.61Å; L223-Y294 HydrophobicContact CD2-CD2 4.42Å; L223-Y294 HydrophobicContact CD2-CE1 3.87Å; L223-Y294 HydrophobicContact CD2-CG 3.91Å; L223-Y294 HydrophobicContact CG-CD1 4.35Å; I276-Y294 HydrophobicContact CG2-CD2 3.69Å; I276-Y294 HydrophobicContact CG2-CE2 4.36Å; I276-Y294 HydrophobicContact CG2-CG 4.21Å; H280-Y294 PolarHBondContact CE1-OH 3.02Å; H280-Y294 AromaticContact NE2-CE2 3.27Å; H280-Y294 VanDerWaalsContact NE2-CE2 3.27Å; H280-Y294 WeakPolarHBondContact NE2-CE2 3.22Å; H280-Y294 AromaticContact NE2-CZ 3.67Å; H280-Y294 PolarHBondContact NE2-OH 3.03Å; I292-Y294 HydrophobicContact CG2-CD2 4.14Å; I292-Y294 HydrophobicContact CG2-CE1 4.4Å; I292-Y294 HydrophobicContact CG2-CE2 3.41Å; I292-Y294 VanDerWaalsContact CG2-CE2 3.41Å; Y294-Q326 WeakPolarHBondContact O-CA 3.46Å; Y294-F327 PolarHBondContact N-O 2.96Å; Y294-F327 PolarHBondContact O-N 2.95Å; Y294-L329 HydrophobicContact CD2-CD1 4.28Å; Y294-L329 HydrophobicContact CE2-CD1 4.11Å |
| 295 | A | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 86.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L212 L215 F220 I221 A222 L223 E325 | L212-A295 HydrophobicContact CD2-CB 4.1Å; L215-A295 HydrophobicContact CB-CB 3.96Å; L215-A295 HydrophobicContact CD1-CB 3.62Å; L215-A295 HydrophobicContact CG-CB 4.47Å; F220-A295 HydrophobicContact CB-CB 4.06Å; I221-A295 PolarHBondContact O-N 3.26Å; A222-A295 WeakPolarHBondContact CA-O 3.47Å; L223-A295 PolarHBondContact N-O 3.08Å; A295-E325 CarbonylContact C-O 3.54Å; A295-E325 VanDerWaalsContact CA-O 3.29Å; A295-E325 WeakPolarHBondContact CA-O 2.75Å |
| 296 | G | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L223 V324 E325 | L223-G296 CarbonylContact O-C 3.5Å; L223-G296 WeakPolarHBondContact O-CA 3.34Å; G296-V324 CarbonylContact O-C 3.55Å; G296-V324 WeakPolarHBondContact O-CA 3.48Å; G296-E325 PolarHBondContact N-O 2.89Å; G296-E325 PolarHBondContact O-N 3.24Å |
| 297 | I | 98.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.205 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.8 | 174.6 | 179.7 | 165.4 | 0 | 0 | 0 | 110.7 | I208 L212 L223 Y224 | I208-I297 HydrophobicContact CG2-CD1 3.54Å; L212-I297 HydrophobicContact CD1-CD1 4.01Å; L223-I297 PolarHBondContact O-N 3.22Å; Y224-I297 HydrophobicContact CD2-CG2 4.21Å |
| 298 | S | 98.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.4 | 177.7 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | T225 S272 K323 | T225-S298 WeakPolarHBondContact OG1-CB 3.37Å; S272-S298 WeakPolarHBondContact CB-OG 3.38Å; S298-K323 PolarHBondContact N-O 3.37Å; S298-K323 PolarHBondContact O-N 3.15Å |
| 299 | S | 98.7 | Very high | 91.6 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.4 | 156.2 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | F227 F301 E322 | F227-S299 VanDerWaalsContact CZ-N 3.35Å; S299-F301 WeakPolarHBondContact O-CE2 3.48Å; S299-E322 WeakPolarHBondContact CB-OE1 3.49Å; S299-E322 PolarHBondContact OG-OE1 3.49Å |
| 300 | C | 98.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.3 | -179.1 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | A270 Q320 F321 | A270-C300 WeakPolarHBondContact O-CB 3.46Å; C300-Q320 VanDerWaalsContact O-CA 3.31Å; C300-Q320 WeakPolarHBondContact O-CA 3.31Å; C300-F321 HydrophobicContact CB-CD1 4.42Å; C300-F321 HydrophobicContact CB-CD2 3.99Å; C300-F321 HydrophobicContact CB-CE1 4Å; C300-F321 HydrophobicContact CB-CE2 3.52Å; C300-F321 HydrophobicContact CB-CG 4.42Å; C300-F321 HydrophobicContact CB-CZ 3.52Å; C300-F321 WeakPolarHBondContact CB-O 3.36Å; C300-F321 PolarHBondContact N-O 2.82Å; C300-F321 PolarHBondContact O-N 3.4Å; C300-F321 VanDerWaalsContact O-N 3.1Å |
| 301 | F | 98.4 | Very high | 89.6 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.3 | -175.5 | -56.2 | -90.6 | 0 | 0 | 0 | 110.6 | F227 Y248 L268 I269 A270 S299 H319 Q320 | F227-F301 HydrophobicContact CB-CE2 4.05Å; F227-F301 HydrophobicContact CD2-CE2 4.14Å; F227-F301 HydrophobicContact CD2-CZ 4.39Å; F227-F301 HydrophobicContact CG-CE2 4.29Å; Y248-F301 HydrophobicContact CD2-CB 4.06Å; L268-F301 HydrophobicContact CB-CB 3.78Å; L268-F301 HydrophobicContact CB-CD2 3.84Å; L268-F301 HydrophobicContact CB-CG 3.9Å; L268-F301 HydrophobicContact CD1-CB 4.06Å; L268-F301 HydrophobicContact CD1-CD1 3.85Å; L268-F301 HydrophobicContact CD1-CD2 4.18Å; L268-F301 HydrophobicContact CD1-CE1 4.34Å; L268-F301 HydrophobicContact CD1-CG 3.75Å; L268-F301 HydrophobicContact CD2-CD2 4.21Å; L268-F301 HydrophobicContact CD2-CE2 4.28Å; L268-F301 HydrophobicContact CG-CD2 4.29Å; L268-F301 HydrophobicContact CG-CG 4.28Å; I269-F301 PolarHBondContact O-N 2.94Å; A270-F301 WeakPolarHBondContact CA-O 3.32Å; S299-F301 WeakPolarHBondContact O-CE2 3.48Å; F301-H319 CarbonylContact C-O 3.54Å; F301-H319 VanDerWaalsContact CA-O 3.22Å; F301-H319 WeakPolarHBondContact CA-O 3.49Å; F301-Q320 HydrophobicContact CD1-CB 4.35Å; F301-Q320 HydrophobicContact CD1-CG 4.28Å; F301-Q320 HydrophobicContact CE1-CB 4.37Å; F301-Q320 HydrophobicContact CE1-CG 3.88Å; F301-Q320 HydrophobicContact CZ-CG 4.49Å |
| 302 | R | 96.4 | Very high | 88.6 | Confident | 58 Ų | 58 | 48 Ų | 48 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -130.2 | 126.3 | -179.5 | -64.4 | -172.7 | -179 | -177.9 | -4.2 | 111.5 | E246 Y248 A270 E304 H319 F321 | E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.97Å; E246-R302 CarbonylContact O-C 3.34Å; E246-R302 WeakPolarHBondContact O-CA 3.33Å; E246-R302 IonicContact OE1-CZ 3.59Å; E246-R302 IonicContact OE1-NE 3.42Å; E246-R302 PolarHBondContact OE1-NE 3.21Å; E246-R302 IonicContact OE1-NH2 3.36Å; Y248-R302 VanDerWaalsContact CE2-C 3.46Å; A270-R302 HydrophobicContact CB-CG 4.07Å; A270-R302 PolarHBondContact O-NE 2.87Å; R302-E304 HydrophobicContact CB-CG 4Å; R302-E304 WeakPolarHBondContact CD-OE1 3.32Å; R302-E304 PolarHBondContact O-N 2.91Å; R302-H319 PolarHBondContact N-O 3.11Å; R302-H319 WeakPolarHBondContact O-CA 3.5Å; R302-H319 PolarHBondContact O-ND1 3.42Å; R302-F321 HydrophobicContact CG-CE1 4.09Å; R302-F321 HydrophobicContact CG-CZ 4.41Å | ||
| 303 | Q | 93.3 | Very high | 87.9 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | trans | -68.1 | -23.7 | 175.8 | -67.3 | -172.5 | -23.6 | 0 | 0 | 112.8 | E246 L247 Y248 V305 H319 | E246-Q303 PolarHBondContact O-N 3.3Å; L247-Q303 PolarHBondContact O-NE2 3.43Å; Y248-Q303 HydrophobicContact CD1-CG 3.87Å; Y248-Q303 HydrophobicContact CD2-CG 3.68Å; Y248-Q303 HydrophobicContact CE1-CG 3.82Å; Y248-Q303 HydrophobicContact CE2-CB 4.24Å; Y248-Q303 HydrophobicContact CE2-CG 3.65Å; Y248-Q303 HydrophobicContact CG-CG 3.8Å; Q303-V305 HydrophobicContact CB-CG2 3.79Å; Q303-V305 PolarHBondContact O-N 3.25Å; Q303-V305 VanDerWaalsContact O-N 3.16Å; Q303-H319 PolarHBondContact O-CE1 2.95Å; Q303-H319 PolarHBondContact O-ND1 2.83Å | ||
| 304 | E | 88.8 | Confident | 87.6 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | trans | 55.4 | 31.1 | 177.5 | -63.8 | -74.4 | 142.2 | 0 | 0 | 113.5 | R302 S307 R317 | R302-E304 HydrophobicContact CB-CG 4Å; R302-E304 WeakPolarHBondContact CD-OE1 3.32Å; R302-E304 PolarHBondContact O-N 2.91Å; E304-S307 PolarHBondContact O-N 3.16Å; E304-S307 PolarHBondContact O-OG 3.13Å; E304-R317 HydrophobicContact CG-CG 4.4Å; E304-R317 WeakPolarHBondContact OE2-CD 3.33Å; E304-R317 WeakPolarHBondContact OE2-CG 3.36Å; E304-R317 IonicContact OE2-CZ 3.56Å; E304-R317 IonicContact OE2-NE 3.65Å; E304-R317 IonicContact OE2-NH1 2.68Å; E304-R317 PolarHBondContact OE2-NH1 2.92Å | ||
| 305 | V | 78.6 | Confident | 87.5 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 136.7 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 109 | Q245 Q303 | Q245-V305 HydrophobicContact CB-CB 4.37Å; Q245-V305 WeakPolarHBondContact O-CB 3.3Å; Q245-V305 PolarHBondContact O-N 2.84Å; Q245-V305 VanDerWaalsContact O-N 3.15Å; Q303-V305 HydrophobicContact CB-CG2 3.79Å; Q303-V305 PolarHBondContact O-N 3.25Å; Q303-V305 VanDerWaalsContact O-N 3.16Å |
| 306 | G | 76 | Confident | 87.3 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -12.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H308 | G306-H308 VanDerWaalsContact C-N 3.35Š|
| 307 | S | 72.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | trans | -94.3 | 22.1 | 175.5 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | R192 E304 G309 R310 | R192-S307 PolarHBondContact NH1-OG 2.87Å; R192-S307 PolarHBondContact NH2-O 2.83Å; R192-S307 PolarHBondContact NH2-OG 3.26Å; E304-S307 PolarHBondContact O-N 3.16Å; E304-S307 PolarHBondContact O-OG 3.13Å; S307-G309 PolarHBondContact O-N 3.46Å; S307-R310 PolarHBondContact O-N 2.91Å | ||
| 308 | H | 66 | Low | 87 | Confident | 169 Ų | 169 | 53.1 Ų | 53.1 | 78% | 0.782 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 124 | -174.8 | -73.9 | -68.9 | 0 | 0 | 0 | 111.6 | G306 R310 | G306-H308 VanDerWaalsContact C-N 3.35Å; H308-R310 VanDerWaalsContact C-N 3.29Å; H308-R310 PolarHBondContact O-N 3.01Å |
| 309 | G | 71.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -9.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | S307 | S307-G309 PolarHBondContact O-N 3.46Š|
| 310 | R | 74.3 | Confident | 86.9 | Confident | 170 Ų | 170 | 58.5 Ų | 58.5 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 135 | 175.4 | -63.3 | -171.6 | -177.9 | -177.6 | 1.1 | 111.2 | R192 S307 H308 T312 | R192-R310 PolarHBondContact NH2-O 3.34Å; S307-R310 PolarHBondContact O-N 2.91Å; H308-R310 VanDerWaalsContact C-N 3.29Å; H308-R310 PolarHBondContact O-N 3.01Å; R310-T312 PolarHBondContact O-N 2.97Å; R310-T312 VanDerWaalsContact O-N 3.07Å |
| 311 | D | 79.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45 | 42.4 | 174.4 | -54.9 | -60.1 | 0 | 0 | 0 | 113.9 | R313 F316 R317 | D311-R313 PolarHBondContact O-N 3.33Å; D311-F316 HydrophobicContact CB-CD1 4.49Å; D311-R317 HydrophobicContact CB-CB 3.75Å; D311-R317 IonicContact OD2-NE 2.66Å |
| 312 | T | 77.7 | Confident | 86.9 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | trans | -73.6 | -6.2 | -173.8 | 52 | 0 | 0 | 0 | 0 | 114.3 | R310 | R310-T312 PolarHBondContact O-N 2.97Å; R310-T312 VanDerWaalsContact O-N 3.07Å | ||
| 313 | R | 84.1 | Confident | 87 | Confident | 150 Ų | 150 | 57 Ų | 57 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -116.3 | 148.7 | 179.9 | -63.1 | -169.4 | -62.2 | 166.1 | 2.1 | 110.5 | I171 D311 | I171-R313 HydrophobicContact CD1-CB 3.91Å; I171-R313 HydrophobicContact CG1-CB 4.25Å; I171-R313 HydrophobicContact CG2-CB 3.98Å; D311-R313 PolarHBondContact O-N 3.33Å |
| 314 | G | 91.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 78.2 | -155.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 315 | I | 96.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -118.6 | 9.2 | -173.6 | 61.8 | 178.8 | 0 | 0 | 0 | 113.6 | F180 Y194 L196 V318 T434 L437 C438 | F180-I315 HydrophobicContact CD2-CG2 3.42Å; F180-I315 VanDerWaalsContact CD2-CG2 3.42Å; F180-I315 HydrophobicContact CE2-CG2 3.55Å; Y194-I315 HydrophobicContact CD2-CG2 3.86Å; Y194-I315 HydrophobicContact CE2-CG2 4.3Å; Y194-I315 HydrophobicContact CG-CG2 4.06Å; L196-I315 HydrophobicContact CD1-CD1 4.04Å; I315-V318 HydrophobicContact CB-CG1 4.43Å; I315-T434 HydrophobicContact CB-CG2 4.48Å; I315-T434 WeakPolarHBondContact O-CB 3.22Å; I315-T434 PolarHBondContact O-OG1 2.94Å; I315-L437 HydrophobicContact CD1-CB 4.35Å; I315-L437 HydrophobicContact CD1-CD1 4.23Å; I315-C438 WeakPolarHBondContact CG1-SG 3.23Å |
| 316 | F | 96.5 | Very high | 88.7 | Confident | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -70.6 | -39.4 | -176.1 | -174 | -92.5 | 0 | 0 | 0 | 113.3 | D311 F383 R390 L392 R435 C438 | D311-F316 HydrophobicContact CB-CD1 4.49Å; F316-F383 HydrophobicContact CD2-CE1 4.27Å; F316-F383 HydrophobicContact CD2-CZ 4.21Å; F316-F383 HydrophobicContact CE2-CE1 4.31Å; F316-F383 HydrophobicContact CE2-CE2 4.48Å; F316-F383 AromaticContact CE2-CZ 3.85Å; F316-F383 HydrophobicContact CE2-CZ 3.85Å; F316-R390 HydrophobicContact CE2-CB 3.84Å; F316-R390 HydrophobicContact CE2-CG 4.24Å; F316-R390 HydrophobicContact CZ-CB 3.65Å; F316-R390 HydrophobicContact CZ-CG 4.06Å; F316-L392 HydrophobicContact CE2-CD2 4.38Å; F316-R435 HydrophobicContact CD2-CB 4.16Å; F316-R435 HydrophobicContact CD2-CG 3.9Å; F316-R435 HydrophobicContact CE2-CB 4Å; F316-R435 HydrophobicContact CE2-CG 3.82Å; F316-R435 HydrophobicContact CG-CG 4.42Å; F316-R435 HydrophobicContact CZ-CG 4.27Å; F316-R435 WeakPolarHBondContact O-CG 3.31Å; F316-R435 PolarHBondContact O-NE 2.91Å; F316-C438 HydrophobicContact CD2-CB 4.38Å |
| 317 | R | 94.8 | Very high | 89.8 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -126.5 | 101.5 | 175.3 | -174.1 | -179.1 | -68.5 | -96.2 | 1.7 | 109.6 | E304 D311 | E304-R317 HydrophobicContact CG-CG 4.4Å; E304-R317 WeakPolarHBondContact OE2-CD 3.33Å; E304-R317 WeakPolarHBondContact OE2-CG 3.36Å; E304-R317 IonicContact OE2-CZ 3.56Å; E304-R317 IonicContact OE2-NE 3.65Å; E304-R317 IonicContact OE2-NH1 2.68Å; E304-R317 PolarHBondContact OE2-NH1 2.92Å; D311-R317 HydrophobicContact CB-CB 3.75Å; D311-R317 IonicContact OD2-NE 2.66Å |
| 318 | V | 95.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -134.1 | 161.7 | -173.3 | -71.8 | 0 | 0 | 0 | 0 | 110.5 | Y194 I315 Q320 F321 T434 | Y194-V318 HydrophobicContact CD1-CB 4.05Å; Y194-V318 HydrophobicContact CD1-CG1 3.72Å; Y194-V318 HydrophobicContact CE1-CB 3.77Å; Y194-V318 HydrophobicContact CE1-CG1 3.86Å; Y194-V318 HydrophobicContact CE1-CG2 3.85Å; I315-V318 HydrophobicContact CB-CG1 4.43Å; V318-Q320 WeakPolarHBondContact CG2-O 3.05Å; V318-F321 HydrophobicContact CG2-CB 4.17Å; V318-F321 HydrophobicContact CG2-CD1 4.46Å; V318-T434 HydrophobicContact CG2-CG2 4.37Å | ||
| 319 | H | 96.7 | Very high | 92.6 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -76.6 | -26.4 | -179.4 | -67.1 | -53.7 | 0 | 0 | 0 | 113.8 | G191 Y248 F301 R302 Q303 | G191-H319 PolarHBondContact O-CD2 2.67Å; G191-H319 PolarHBondContact O-NE2 2.91Å; Y248-H319 HydrophobicContact CE2-CB 4.39Å; Y248-H319 VanDerWaalsContact OH-CG 3.23Å; Y248-H319 PolarHBondContact OH-ND1 2.85Å; F301-H319 CarbonylContact C-O 3.54Å; F301-H319 VanDerWaalsContact CA-O 3.22Å; F301-H319 WeakPolarHBondContact CA-O 3.49Å; R302-H319 PolarHBondContact N-O 3.11Å; R302-H319 WeakPolarHBondContact O-CA 3.5Å; R302-H319 PolarHBondContact O-ND1 3.42Å; Q303-H319 PolarHBondContact O-CE1 2.95Å; Q303-H319 PolarHBondContact O-ND1 2.83Å |
| 320 | Q | 98.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 35.3 Ų | 35.3 | 42% | 0.416 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.8 | 179.1 | -180 | -175.8 | -42.2 | 0 | 0 | 108.9 | Y194 C300 F301 V318 | Y194-Q320 WeakPolarHBondContact CE1-O 3.38Å; Y194-Q320 PolarHBondContact OH-O 2.98Å; C300-Q320 VanDerWaalsContact O-CA 3.31Å; C300-Q320 WeakPolarHBondContact O-CA 3.31Å; F301-Q320 HydrophobicContact CD1-CB 4.35Å; F301-Q320 HydrophobicContact CD1-CG 4.28Å; F301-Q320 HydrophobicContact CE1-CB 4.37Å; F301-Q320 HydrophobicContact CE1-CG 3.88Å; F301-Q320 HydrophobicContact CZ-CG 4.49Å; V318-Q320 WeakPolarHBondContact CG2-O 3.05Å |
| 321 | F | 98.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 28 Ų | 28 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 150.1 | 172.8 | 56.9 | -85.5 | 0 | 0 | 0 | 110.9 | C300 R302 V318 K323 T434 | C300-F321 HydrophobicContact CB-CD1 4.42Å; C300-F321 HydrophobicContact CB-CD2 3.99Å; C300-F321 HydrophobicContact CB-CE1 4Å; C300-F321 HydrophobicContact CB-CE2 3.52Å; C300-F321 HydrophobicContact CB-CG 4.42Å; C300-F321 HydrophobicContact CB-CZ 3.52Å; C300-F321 WeakPolarHBondContact CB-O 3.36Å; C300-F321 PolarHBondContact N-O 2.82Å; C300-F321 PolarHBondContact O-N 3.4Å; C300-F321 VanDerWaalsContact O-N 3.1Å; R302-F321 HydrophobicContact CG-CE1 4.09Å; R302-F321 HydrophobicContact CG-CZ 4.41Å; V318-F321 HydrophobicContact CG2-CB 4.17Å; V318-F321 HydrophobicContact CG2-CD1 4.46Å; F321-K323 HydrophobicContact CD2-CB 4.47Å; F321-K323 HydrophobicContact CE2-CB 4.37Å; F321-K323 HydrophobicContact CE2-CD 4.33Å; F321-T434 HydrophobicContact CB-CG2 3.93Å |
| 322 | E | 98.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 15% | 0.15 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 143.5 | 174.9 | -75.5 | 57 | -135.5 | 0 | 0 | 110.6 | I208 S299 T433 | I208-E322 HydrophobicContact CD1-CB 4.31Å; S299-E322 WeakPolarHBondContact CB-OE1 3.49Å; S299-E322 PolarHBondContact OG-OE1 3.49Å; E322-T433 HydrophobicContact CB-CG2 3.69Å; E322-T433 WeakPolarHBondContact CB-OG1 3.49Å; E322-T433 PolarHBondContact O-N 2.86Å; E322-T433 PolarHBondContact O-OG1 2.98Å |
| 323 | K | 98.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.6 | 177.5 | -166.1 | 168.5 | 63.8 | 142.8 | 0 | 111.7 | T271 S298 F321 E325 T429 C431 | T271-K323 PolarHBondContact OG1-NZ 3.45Å; S298-K323 PolarHBondContact N-O 3.37Å; S298-K323 PolarHBondContact O-N 3.15Å; F321-K323 HydrophobicContact CD2-CB 4.47Å; F321-K323 HydrophobicContact CE2-CB 4.37Å; F321-K323 HydrophobicContact CE2-CD 4.33Å; K323-E325 WeakPolarHBondContact CD-OE2 3.42Å; K323-E325 WeakPolarHBondContact CE-OE2 3.4Å; K323-E325 VanDerWaalsContact NZ-CD 3.27Å; K323-E325 IonicContact NZ-OE1 3.58Å; K323-E325 PolarHBondContact NZ-OE1 3.07Å; K323-E325 IonicContact NZ-OE2 2.7Å; K323-E325 PolarHBondContact NZ-OE2 3.33Å; K323-T429 HydrophobicContact CD-CG2 3.83Å; K323-T429 HydrophobicContact CG-CG2 4.05Å; K323-C431 WeakPolarHBondContact CA-O 3.41Å |
| 324 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.2 | 162.4 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | I208 A211 L212 L215 G296 M430 C431 | I208-V324 HydrophobicContact CG2-CG2 4.29Å; A211-V324 HydrophobicContact CB-CB 4.13Å; A211-V324 HydrophobicContact CB-CG1 4.09Å; A211-V324 HydrophobicContact CB-CG2 4.13Å; L212-V324 HydrophobicContact CD2-CG1 3.94Å; L212-V324 HydrophobicContact CD2-CG2 4.48Å; L212-V324 HydrophobicContact CG-CG1 4.47Å; L212-V324 HydrophobicContact CG-CG2 4.4Å; L215-V324 HydrophobicContact CD1-CG1 3.88Å; G296-V324 CarbonylContact O-C 3.55Å; G296-V324 WeakPolarHBondContact O-CA 3.48Å; V324-M430 HydrophobicContact CB-CB 4.36Å; V324-M430 HydrophobicContact CG1-CB 4.13Å; V324-M430 HydrophobicContact CG1-CG 4.49Å; V324-M430 WeakPolarHBondContact O-CA 3.41Å; V324-M430 WeakPolarHBondContact O-CB 3.49Å; V324-M430 PolarHBondContact O-N 3.2Å; V324-C431 HydrophobicContact CB-CB 4.37Å; V324-C431 PolarHBondContact N-O 3.08Å; V324-C431 PolarHBondContact O-N 2.82Å; V324-C431 VanDerWaalsContact O-N 3.11Å |
| 325 | E | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.9 | -173.1 | -166.1 | 74.8 | 178.2 | 0 | 0 | 110.4 | S272 A295 G296 K323 T429 | S272-E325 WeakPolarHBondContact OG-CB 3.42Å; A295-E325 CarbonylContact C-O 3.54Å; A295-E325 VanDerWaalsContact CA-O 3.29Å; A295-E325 WeakPolarHBondContact CA-O 2.75Å; G296-E325 PolarHBondContact N-O 2.89Å; G296-E325 PolarHBondContact O-N 3.24Å; K323-E325 WeakPolarHBondContact CD-OE2 3.42Å; K323-E325 WeakPolarHBondContact CE-OE2 3.4Å; K323-E325 VanDerWaalsContact NZ-CD 3.27Å; K323-E325 IonicContact NZ-OE1 3.58Å; K323-E325 PolarHBondContact NZ-OE1 3.07Å; K323-E325 IonicContact NZ-OE2 2.7Å; K323-E325 PolarHBondContact NZ-OE2 3.33Å; E325-T429 VanDerWaalsContact OE2-CA 3.31Å; E325-T429 WeakPolarHBondContact OE2-CA 3.49Å; E325-T429 PolarHBondContact OE2-OG1 2.99Å |
| 326 | Q | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.1 | 164 | -58.1 | 179 | 83.7 | 0 | 0 | 108.5 | L215 F220 Y294 M344 N347 N427 S428 M430 | L215-Q326 HydrophobicContact CD1-CG 3.89Å; L215-Q326 HydrophobicContact CD2-CG 3.63Å; L215-Q326 HydrophobicContact CG-CG 4.43Å; F220-Q326 HydrophobicContact CE1-CB 3.86Å; F220-Q326 HydrophobicContact CE1-CG 4.11Å; F220-Q326 HydrophobicContact CZ-CB 4.48Å; F220-Q326 HydrophobicContact CZ-CG 4.47Å; Y294-Q326 WeakPolarHBondContact O-CA 3.46Å; Q326-M344 HydrophobicContact CB-CE 3.82Å; Q326-M344 PolarHBondContact NE2-O 2.97Å; Q326-N347 VanDerWaalsContact OE1-CB 3.23Å; Q326-N347 PolarHBondContact OE1-ND2 2.68Å; Q326-N427 CarbonylContact O-C 3.52Å; Q326-N427 WeakPolarHBondContact O-CA 3.43Å; Q326-S428 WeakPolarHBondContact CB-O 3.46Å; Q326-S428 PolarHBondContact N-O 3.03Å; Q326-S428 PolarHBondContact NE2-OG 3.4Å; Q326-S428 PolarHBondContact O-N 3.07Å; Q326-M430 HydrophobicContact CG-CB 4.27Å |
| 327 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.4 | 170.9 | -167.4 | -81.3 | 0 | 0 | 0 | 109.6 | E273 I276 A277 Y294 L329 M425 L426 N427 | E273-F327 HydrophobicContact CB-CD2 4.29Å; E273-F327 HydrophobicContact CB-CE2 4.48Å; E273-F327 HydrophobicContact CG-CD2 3.81Å; E273-F327 HydrophobicContact CG-CE2 3.6Å; I276-F327 HydrophobicContact CB-CB 4.48Å; I276-F327 HydrophobicContact CB-CD1 4.41Å; I276-F327 HydrophobicContact CB-CG 4.22Å; I276-F327 HydrophobicContact CD1-CB 4.31Å; I276-F327 HydrophobicContact CG2-CB 3.87Å; I276-F327 HydrophobicContact CG2-CD1 3.46Å; I276-F327 VanDerWaalsContact CG2-CD1 3.46Å; I276-F327 HydrophobicContact CG2-CD2 4.36Å; I276-F327 HydrophobicContact CG2-CE1 4.07Å; I276-F327 HydrophobicContact CG2-CG 3.63Å; A277-F327 HydrophobicContact CB-CE2 3.98Å; A277-F327 HydrophobicContact CB-CZ 3.66Å; Y294-F327 PolarHBondContact N-O 2.96Å; Y294-F327 PolarHBondContact O-N 2.95Å; F327-L329 HydrophobicContact CD1-CD1 3.84Å; F327-L329 HydrophobicContact CE1-CD1 3.72Å; F327-L329 HydrophobicContact CE1-CG 4.09Å; F327-M425 HydrophobicContact CE1-CB 4.45Å; F327-M425 HydrophobicContact CE1-CG 4.31Å; F327-M425 HydrophobicContact CZ-CB 4.02Å; F327-M425 HydrophobicContact CZ-CG 4.14Å; F327-M425 HydrophobicContact CZ-SD 4.09Å; F327-L426 WeakPolarHBondContact CA-O 3.28Å; F327-N427 HydrophobicContact CD2-CB 4.05Å; F327-N427 HydrophobicContact CE2-CB 4.46Å |
| 328 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131 | -175.8 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | F220 P291 I292 K293 C330 M340 M344 M425 L426 | F220-V328 HydrophobicContact CE1-CG2 3.82Å; F220-V328 HydrophobicContact CZ-CG2 4.1Å; P291-V328 HydrophobicContact CB-CG1 3.96Å; I292-V328 WeakPolarHBondContact O-CA 3.3Å; K293-V328 HydrophobicContact CB-CG2 4.33Å; K293-V328 HydrophobicContact CG-CG1 4.17Å; K293-V328 HydrophobicContact CG-CG2 4.08Å; V328-C330 HydrophobicContact CG1-CB 4.3Å; V328-M340 HydrophobicContact CB-CG 3.98Å; V328-M340 HydrophobicContact CB-SD 4.37Å; V328-M340 HydrophobicContact CG1-CE 4.36Å; V328-M340 HydrophobicContact CG1-CG 3.66Å; V328-M340 HydrophobicContact CG1-SD 3.95Å; V328-M340 HydrophobicContact CG2-CG 4.15Å; V328-M340 HydrophobicContact CG2-SD 3.99Å; V328-M344 HydrophobicContact CB-SD 3.99Å; V328-M344 HydrophobicContact CG2-CE 4.37Å; V328-M344 HydrophobicContact CG2-CG 4.23Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; V328-M425 WeakPolarHBondContact O-CA 3.37Å; V328-L426 PolarHBondContact N-O 3.47Å; V328-L426 PolarHBondContact O-N 3.29Å |
| 329 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.3 | 164.8 | -59 | 86.5 | 0 | 0 | 0 | 107.4 | H280 I285 L290 P291 I292 Y294 F327 V408 V423 H424 M425 | H280-L329 HydrophobicContact CB-CD2 4.02Å; H280-L329 VanDerWaalsContact CD2-CD2 3.48Å; H280-L329 WeakPolarHBondContact CD2-CD2 3.49Å; I285-L329 HydrophobicContact CD1-CD2 3.5Å; L290-L329 HydrophobicContact CD2-CB 4.15Å; L290-L329 WeakPolarHBondContact CD2-O 3.49Å; P291-L329 CarbonylContact C-O 3.55Å; P291-L329 WeakPolarHBondContact CA-O 3.48Å; I292-L329 HydrophobicContact CB-CB 4.37Å; I292-L329 HydrophobicContact CB-CD1 4.33Å; I292-L329 PolarHBondContact N-O 3.16Å; I292-L329 PolarHBondContact O-N 3.4Å; Y294-L329 HydrophobicContact CD2-CD1 4.28Å; Y294-L329 HydrophobicContact CE2-CD1 4.11Å; F327-L329 HydrophobicContact CD1-CD1 3.84Å; F327-L329 HydrophobicContact CE1-CD1 3.72Å; F327-L329 HydrophobicContact CE1-CG 4.09Å; L329-V408 HydrophobicContact CD2-CG1 4.09Å; L329-V423 HydrophobicContact CB-CG2 4.5Å; L329-V423 HydrophobicContact CD2-CG2 4.19Å; L329-H424 WeakPolarHBondContact CA-O 3.13Å; L329-M425 HydrophobicContact CD2-CE 3.83Å; L329-M425 HydrophobicContact CG-CE 4.42Å; L329-M425 HydrophobicContact CG-CG 4.39Å |
| 330 | C | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 172.3 | -177.2 | 65 | 0 | 0 | 0 | 0 | 112.5 | P291 V328 S337 H424 L426 | P291-C330 HydrophobicContact CB-CB 4.09Å; V328-C330 HydrophobicContact CG1-CB 4.3Å; C330-S337 WeakPolarHBondContact SG-CA 3.24Å; C330-S337 VanDerWaalsContact SG-CB 3.55Å; C330-H424 PolarHBondContact N-O 3.11Å; C330-H424 PolarHBondContact O-N 3.04Å; C330-L426 WeakPolarHBondContact SG-CD1 3.46Å |
| 331 | S | 98 | Very high | 98.3 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 12% | 0.119 | 15% | 0.153 | C | C | . | . | trans | -59.6 | 137.5 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | H333 | S331-H333 PolarHBondContact O-N 3.04Å; S331-H333 PolarHBondContact OG-N 2.97Å | ||
| 332 | P | 96.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 34 Ų | 34 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -74.8 | -6.1 | 171 | 33.3 | -35.6 | 0 | 0 | 0 | 112.9 | Y410 Y422 | P332-Y410 VanDerWaalsContact CD-CD2 3.42Å; P332-Y410 HydrophobicContact CG-CD1 4.27Å; P332-Y410 HydrophobicContact CG-CD2 4.23Å; P332-Y410 HydrophobicContact CG-CG 3.99Å; P332-Y422 WeakPolarHBondContact CB-O 3.45Å; P332-Y422 WeakPolarHBondContact CG-O 3.41Å |
| 333 | H | 96.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -100.6 | 169 | -174.4 | -55.5 | -50.1 | 0 | 0 | 0 | 112.7 | S331 N335 E336 Y410 | S331-H333 PolarHBondContact O-N 3.04Å; S331-H333 PolarHBondContact OG-N 2.97Å; H333-N335 PolarHBondContact O-N 2.83Å; H333-E336 WeakPolarHBondContact O-CB 3.25Å; H333-E336 WeakPolarHBondContact O-CG 3.34Å; H333-E336 PolarHBondContact O-N 2.77Å; H333-Y410 AromaticContact CD2-CE1 3.52Å; H333-Y410 AromaticContact CD2-CZ 3.71Å; H333-Y410 AromaticContact NE2-CD1 3.85Å; H333-Y410 AromaticContact NE2-CE1 3.46Å; H333-Y410 WeakPolarHBondContact NE2-CE1 3.24Å |
| 334 | D | 96 | Very high | 98.3 | Very high | 130 Ų | 130 | 35.2 Ų | 35.2 | 70% | 0.695 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 26.5 | 168.1 | -51.9 | -48.1 | 0 | 0 | 0 | 116.4 | E336 K339 | D334-E336 HydrophobicContact CB-CG 4.32Å; D334-E336 PolarHBondContact O-N 2.84Å; D334-K339 PolarHBondContact O-NZ 3.48Å |
| 335 | N | 97.1 | Very high | 98.3 | Very high | 96 Ų | 96 | 35.2 Ų | 35.2 | 51% | 0.513 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17.2 | -177.8 | -151.1 | 53.3 | 0 | 0 | 0 | 113.5 | H333 S337 W338 K339 | H333-N335 PolarHBondContact O-N 2.83Å; N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 2.66Å; N335-W338 PolarHBondContact O-N 2.88Å; N335-K339 PolarHBondContact O-N 2.77Å; N335-K339 VanDerWaalsContact O-N 3.11Å |
| 336 | E | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 37.9 Ų | 37.9 | 33% | 0.332 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | -173.4 | -72.6 | -57.5 | 122.6 | 0 | 0 | 112.5 | H333 D334 W338 K339 M340 | H333-E336 WeakPolarHBondContact O-CB 3.25Å; H333-E336 WeakPolarHBondContact O-CG 3.34Å; H333-E336 PolarHBondContact O-N 2.77Å; D334-E336 HydrophobicContact CB-CG 4.32Å; D334-E336 PolarHBondContact O-N 2.84Å; E336-W338 PolarHBondContact O-N 2.66Å; E336-K339 PolarHBondContact O-N 2.82Å; E336-K339 IonicContact OE1-NZ 2.81Å; E336-K339 PolarHBondContact OE1-NZ 3.26Å; E336-M340 WeakPolarHBondContact O-CB 3.34Å; E336-M340 PolarHBondContact O-N 2.84Å |
| 337 | S | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -33.3 | 175.8 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | C330 N335 F341 N397 H424 L426 | C330-S337 WeakPolarHBondContact SG-CA 3.24Å; C330-S337 VanDerWaalsContact SG-CB 3.55Å; N335-S337 VanDerWaalsContact C-N 3.32Å; N335-S337 PolarHBondContact O-N 2.66Å; S337-F341 WeakPolarHBondContact O-CB 3.43Å; S337-F341 PolarHBondContact O-N 2.94Å; S337-N397 PolarHBondContact OG-ND2 2.82Å; S337-H424 VanDerWaalsContact CB-ND1 3.29Å; S337-H424 WeakPolarHBondContact CB-ND1 3.32Å; S337-H424 PolarHBondContact OG-ND1 2.89Å; S337-L426 VanDerWaalsContact O-CD2 3.24Å; S337-L426 WeakPolarHBondContact O-CD2 3.33Å |
| 338 | W | 98.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -80 | -33.8 | -178.8 | -65.2 | 108.9 | 0 | 0 | 0 | 111.8 | H141 N335 E336 M340 F341 D342 A374 K375 N397 T399 | H141-W338 HydrophobicContact CB-CH2 3.62Å; H141-W338 HydrophobicContact CB-CZ2 4.04Å; H141-W338 HydrophobicContact CB-CZ3 4.24Å; H141-W338 AromaticContact CD2-CD2 3.89Å; H141-W338 AromaticContact CD2-CE2 3.51Å; H141-W338 AromaticContact CD2-CH2 3.59Å; H141-W338 AromaticContact CD2-CZ2 3.35Å; H141-W338 WeakPolarHBondContact CD2-CZ2 3.45Å; H141-W338 AromaticContact CD2-CZ3 3.94Å; H141-W338 AromaticContact CG-CH2 3.74Å; H141-W338 AromaticContact CG-CZ2 3.96Å; N335-W338 PolarHBondContact O-N 2.88Å; E336-W338 PolarHBondContact O-N 2.66Å; W338-M340 VanDerWaalsContact C-N 3.34Å; W338-F341 HydrophobicContact CE3-CB 4.35Å; W338-F341 HydrophobicContact CE3-CD1 4.42Å; W338-F341 HydrophobicContact CE3-CG 4.4Å; W338-F341 WeakPolarHBondContact O-CB 3.34Å; W338-F341 PolarHBondContact O-N 2.94Å; W338-D342 PolarHBondContact O-N 3.28Å; W338-A374 HydrophobicContact CH2-CB 3.86Å; W338-A374 HydrophobicContact CZ2-CB 4.18Å; W338-K375 HydrophobicContact CH2-CB 3.84Å; W338-K375 HydrophobicContact CZ3-CB 3.65Å; W338-K375 HydrophobicContact CZ3-CD 4.03Å; W338-K375 HydrophobicContact CZ3-CG 4.47Å; W338-N397 HydrophobicContact CE3-CB 4.27Å; W338-N397 VanDerWaalsContact CE3-ND2 3.34Å; W338-N397 HydrophobicContact CH2-CB 3.93Å; W338-N397 HydrophobicContact CZ3-CB 3.69Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.45Å; W338-T399 HydrophobicContact CZ2-CG2 4.25Å |
| 339 | K | 98.6 | Very high | 98.2 | Very high | 110 Ų | 110 | 38.3 Ų | 38.3 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 167.7 | -61.3 | 173.9 | -165.8 | 162 | 0 | 111 | D334 N335 E336 F341 D342 E343 | D334-K339 PolarHBondContact O-NZ 3.48Å; N335-K339 PolarHBondContact O-N 2.77Å; N335-K339 VanDerWaalsContact O-N 3.11Å; E336-K339 PolarHBondContact O-N 2.82Å; E336-K339 IonicContact OE1-NZ 2.81Å; E336-K339 PolarHBondContact OE1-NZ 3.26Å; K339-F341 VanDerWaalsContact C-N 3.33Å; K339-F341 PolarHBondContact O-N 2.81Å; K339-D342 PolarHBondContact O-N 3.42Å; K339-E343 PolarHBondContact O-N 2.93Å |
| 340 | M | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.5 | -172.9 | 56.2 | 53.2 | 0 | 0 | 112.4 | P291 V328 E336 W338 D342 E343 M344 L426 | P291-M340 HydrophobicContact CB-CE 4.19Å; P291-M340 HydrophobicContact CG-CE 4.06Å; V328-M340 HydrophobicContact CB-CG 3.98Å; V328-M340 HydrophobicContact CB-SD 4.37Å; V328-M340 HydrophobicContact CG1-CE 4.36Å; V328-M340 HydrophobicContact CG1-CG 3.66Å; V328-M340 HydrophobicContact CG1-SD 3.95Å; V328-M340 HydrophobicContact CG2-CG 4.15Å; V328-M340 HydrophobicContact CG2-SD 3.99Å; E336-M340 WeakPolarHBondContact O-CB 3.34Å; E336-M340 PolarHBondContact O-N 2.84Å; W338-M340 VanDerWaalsContact C-N 3.34Å; M340-D342 VanDerWaalsContact C-N 3.33Å; M340-D342 PolarHBondContact O-N 3.35Å; M340-E343 PolarHBondContact O-N 3.17Å; M340-E343 HydrophobicContact SD-CB 4.36Å; M340-M344 HydrophobicContact CG-CG 4.25Å; M340-M344 HydrophobicContact CG-SD 3.96Å; M340-M344 WeakPolarHBondContact O-CB 3.42Å; M340-M344 VanDerWaalsContact O-CG 3.28Å; M340-M344 WeakPolarHBondContact O-CG 3.31Å; M340-M344 PolarHBondContact O-N 3.27Å; M340-M344 HydrophobicContact SD-CG 4.2Å; M340-L426 HydrophobicContact CB-CD2 4.48Å; M340-L426 HydrophobicContact CG-CD1 4.44Å |
| 341 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.1 | -179.6 | -101.8 | 0 | 0 | 0 | 111.7 | S337 W338 K339 M344 I345 K375 L377 C395 N397 L426 | S337-F341 WeakPolarHBondContact O-CB 3.43Å; S337-F341 PolarHBondContact O-N 2.94Å; W338-F341 HydrophobicContact CE3-CB 4.35Å; W338-F341 HydrophobicContact CE3-CD1 4.42Å; W338-F341 HydrophobicContact CE3-CG 4.4Å; W338-F341 WeakPolarHBondContact O-CB 3.34Å; W338-F341 PolarHBondContact O-N 2.94Å; K339-F341 VanDerWaalsContact C-N 3.33Å; K339-F341 PolarHBondContact O-N 2.81Å; F341-M344 PolarHBondContact O-N 3.42Å; F341-I345 PolarHBondContact O-N 2.97Å; F341-K375 HydrophobicContact CD1-CD 4.45Å; F341-K375 HydrophobicContact CE1-CD 3.7Å; F341-K375 HydrophobicContact CE1-CG 4.13Å; F341-K375 HydrophobicContact CZ-CB 4.32Å; F341-K375 HydrophobicContact CZ-CD 4.07Å; F341-K375 HydrophobicContact CZ-CG 3.96Å; F341-L377 HydrophobicContact CD1-CD1 4.48Å; F341-L377 HydrophobicContact CE1-CD1 3.53Å; F341-L377 HydrophobicContact CE1-CG 3.68Å; F341-L377 HydrophobicContact CZ-CB 4.07Å; F341-L377 HydrophobicContact CZ-CD1 3.96Å; F341-L377 HydrophobicContact CZ-CG 3.64Å; F341-C395 VanDerWaalsContact CE2-O 3.31Å; F341-C395 WeakPolarHBondContact CE2-O 3.41Å; F341-N397 HydrophobicContact CB-CB 4.41Å; F341-N397 HydrophobicContact CD2-CB 3.65Å; F341-N397 HydrophobicContact CE2-CB 4.18Å; F341-N397 HydrophobicContact CG-CB 4.23Å; F341-L426 HydrophobicContact CB-CD2 3.72Å; F341-L426 HydrophobicContact CD2-CD2 4.2Å; F341-L426 HydrophobicContact CG-CD2 4.48Å |
| 342 | D | 98.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 44% | 0.444 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.9 | -65.3 | -26.2 | 0 | 0 | 0 | 111.2 | W338 K339 M340 M344 I345 D346 | W338-D342 PolarHBondContact O-N 3.28Å; K339-D342 PolarHBondContact O-N 3.42Å; M340-D342 VanDerWaalsContact C-N 3.33Å; M340-D342 PolarHBondContact O-N 3.35Å; D342-M344 PolarHBondContact O-N 2.89Å; D342-I345 WeakPolarHBondContact O-CG2 3.46Å; D342-D346 WeakPolarHBondContact O-CB 3.5Å; D342-D346 PolarHBondContact O-N 2.9Å |
| 343 | E | 98.7 | Very high | 98.4 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 174.4 | -171.4 | -172.2 | 131.2 | 0 | 0 | 112.3 | K293 K339 M340 D346 N347 | K293-E343 IonicContact NZ-OE1 3.04Å; K293-E343 PolarHBondContact NZ-OE1 3.45Å; K293-E343 IonicContact NZ-OE2 3.82Å; K339-E343 PolarHBondContact O-N 2.93Å; M340-E343 PolarHBondContact O-N 3.17Å; M340-E343 HydrophobicContact SD-CB 4.36Å; E343-D346 PolarHBondContact O-N 3.49Å; E343-N347 PolarHBondContact O-N 3.25Å; E343-N347 PolarHBondContact O-ND2 3.32Å; E343-N347 PolarHBondContact O-OD1 2.95Å |
| 344 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | -177.6 | -74.6 | 173.8 | 62.9 | 0 | 0 | 112.6 | Q326 V328 M340 F341 D342 N347 A348 L426 N427 | Q326-M344 HydrophobicContact CB-CE 3.82Å; Q326-M344 PolarHBondContact NE2-O 2.97Å; V328-M344 HydrophobicContact CB-SD 3.99Å; V328-M344 HydrophobicContact CG2-CE 4.37Å; V328-M344 HydrophobicContact CG2-CG 4.23Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; M340-M344 HydrophobicContact CG-CG 4.25Å; M340-M344 HydrophobicContact CG-SD 3.96Å; M340-M344 WeakPolarHBondContact O-CB 3.42Å; M340-M344 VanDerWaalsContact O-CG 3.28Å; M340-M344 WeakPolarHBondContact O-CG 3.31Å; M340-M344 PolarHBondContact O-N 3.27Å; M340-M344 HydrophobicContact SD-CG 4.2Å; F341-M344 PolarHBondContact O-N 3.42Å; D342-M344 PolarHBondContact O-N 2.89Å; M344-N347 WeakPolarHBondContact O-CB 3.36Å; M344-N347 PolarHBondContact O-N 2.92Å; M344-A348 PolarHBondContact O-N 3.44Å; M344-L426 HydrophobicContact CE-CB 3.94Å; M344-L426 HydrophobicContact SD-CB 3.56Å; M344-L426 VanDerWaalsContact SD-CB 3.56Å; M344-L426 HydrophobicContact SD-CD2 4.21Å; M344-L426 HydrophobicContact SD-CG 4.45Å; M344-N427 VanDerWaalsContact CE-C 3.42Å |
| 345 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.4 | -35.2 | 175 | -170.2 | 57.6 | 0 | 0 | 0 | 111.3 | F341 D342 N347 A348 E349 I361 L377 C395 | F341-I345 PolarHBondContact O-N 2.97Å; D342-I345 WeakPolarHBondContact O-CG2 3.46Å; I345-N347 VanDerWaalsContact C-N 3.35Å; I345-N347 PolarHBondContact O-N 3.29Å; I345-A348 WeakPolarHBondContact O-CB 3.17Å; I345-A348 PolarHBondContact O-N 3.26Å; I345-E349 PolarHBondContact O-N 2.94Å; I345-I361 HydrophobicContact CD1-CD1 4.02Å; I345-I361 HydrophobicContact CG1-CD1 4.24Å; I345-L377 HydrophobicContact CB-CD1 4.4Å; I345-L377 HydrophobicContact CD1-CB 4.4Å; I345-L377 HydrophobicContact CG1-CB 4.32Å; I345-L377 HydrophobicContact CG1-CD1 4.16Å; I345-L377 HydrophobicContact CG2-CD1 4.06Å; I345-C395 HydrophobicContact CB-CB 4.37Å; I345-C395 HydrophobicContact CD1-CB 4.02Å |
| 346 | D | 98.7 | Very high | 98.6 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 32% | 0.316 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 174.9 | -73.9 | -6 | 0 | 0 | 0 | 111.6 | R157 D342 E343 A348 E349 D350 | R157-D346 IonicContact CZ-OD1 2.82Å; R157-D346 VanDerWaalsContact CZ-OD1 3.23Å; R157-D346 IonicContact NH1-OD1 3.32Å; R157-D346 PolarHBondContact NH1-OD1 3.38Å; R157-D346 IonicContact NH2-OD1 3.32Å; R157-D346 PolarHBondContact NH2-OD1 2.97Å; D342-D346 WeakPolarHBondContact O-CB 3.5Å; D342-D346 PolarHBondContact O-N 2.9Å; E343-D346 PolarHBondContact O-N 3.49Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.95Å; D346-E349 PolarHBondContact O-N 3.07Å; D346-D350 VanDerWaalsContact O-CG 3.25Å; D346-D350 PolarHBondContact O-N 3.4Å |
| 347 | N | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 172.1 | -65.2 | -19.9 | 0 | 0 | 0 | 112.2 | L215 K218 Q326 E343 M344 I345 D350 F351 | L215-N347 HydrophobicContact CD2-CB 4.45Å; K218-N347 WeakPolarHBondContact CD-OD1 3.33Å; K218-N347 VanDerWaalsContact CE-OD1 3.32Å; K218-N347 WeakPolarHBondContact CE-OD1 3.39Å; K218-N347 PolarHBondContact NZ-OD1 3.45Å; Q326-N347 VanDerWaalsContact OE1-CB 3.23Å; Q326-N347 PolarHBondContact OE1-ND2 2.68Å; E343-N347 PolarHBondContact O-N 3.25Å; E343-N347 PolarHBondContact O-ND2 3.32Å; E343-N347 PolarHBondContact O-OD1 2.95Å; M344-N347 WeakPolarHBondContact O-CB 3.36Å; M344-N347 PolarHBondContact O-N 2.92Å; I345-N347 VanDerWaalsContact C-N 3.35Å; I345-N347 PolarHBondContact O-N 3.29Å; N347-D350 PolarHBondContact O-N 3.02Å; N347-F351 PolarHBondContact O-N 2.97Å |
| 348 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | M344 I345 D346 D350 F351 Y352 V393 | M344-A348 PolarHBondContact O-N 3.44Å; I345-A348 WeakPolarHBondContact O-CB 3.17Å; I345-A348 PolarHBondContact O-N 3.26Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-A348 PolarHBondContact O-N 2.95Å; A348-D350 VanDerWaalsContact C-N 3.35Å; A348-D350 PolarHBondContact O-N 3.19Å; A348-F351 WeakPolarHBondContact O-CB 3.37Å; A348-F351 PolarHBondContact O-N 3.46Å; A348-F351 VanDerWaalsContact O-N 3.13Å; A348-Y352 WeakPolarHBondContact O-CD2 3.48Å; A348-Y352 PolarHBondContact O-N 3.23Å; A348-Y352 VanDerWaalsContact O-N 3.16Å; A348-V393 HydrophobicContact CB-CG1 4.1Å; A348-V393 HydrophobicContact CB-CG2 4.19Å |
| 349 | E | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.5 | -45.5 | 175.6 | -76.3 | -166.4 | -149.3 | 0 | 0 | 113.5 | R157 I345 D346 F351 Y352 K353 F359 I361 L379 | R157-E349 IonicContact CZ-OE1 3.08Å; R157-E349 IonicContact NE-OE1 2.74Å; R157-E349 PolarHBondContact NE-OE1 3.43Å; R157-E349 IonicContact NE-OE2 3.79Å; R157-E349 IonicContact NH1-OE1 2.81Å; R157-E349 IonicContact NH2-OE1 2.66Å; R157-E349 PolarHBondContact NH2-OE1 3.43Å; I345-E349 PolarHBondContact O-N 2.94Å; D346-E349 PolarHBondContact O-N 3.07Å; E349-F351 PolarHBondContact O-N 3.15Å; E349-Y352 PolarHBondContact O-N 3.17Å; E349-K353 WeakPolarHBondContact O-CB 3.47Å; E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 3.47Å; E349-K353 WeakPolarHBondContact OE2-CE 3.39Å; E349-K353 IonicContact OE2-NZ 2.72Å; E349-K353 PolarHBondContact OE2-NZ 3.32Å; E349-F359 HydrophobicContact CB-CE2 4.46Å; E349-F359 HydrophobicContact CB-CZ 3.89Å; E349-F359 HydrophobicContact CG-CE2 3.69Å; E349-F359 HydrophobicContact CG-CZ 3.62Å; E349-I361 HydrophobicContact CG-CD1 3.95Å; E349-I361 HydrophobicContact CG-CG1 4.3Å; E349-I361 WeakPolarHBondContact OE1-CG1 3.35Å; E349-L379 HydrophobicContact CG-CD1 4.13Å |
| 350 | D | 98.6 | Very high | 98.6 | Very high | 61 Ų | 61 | 24.8 Ų | 24.8 | 33% | 0.326 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -56.7 | -39.4 | 178.2 | -73 | -18.1 | 0 | 0 | 0 | 111.2 | M214 K218 D346 N347 A348 A354 | M214-D350 HydrophobicContact CE-CB 4.04Å; K218-D350 IonicContact NZ-OD2 3.46Å; K218-D350 PolarHBondContact NZ-OD2 3.18Å; D346-D350 VanDerWaalsContact O-CG 3.25Å; D346-D350 PolarHBondContact O-N 3.4Å; N347-D350 PolarHBondContact O-N 3.02Å; A348-D350 VanDerWaalsContact C-N 3.35Å; A348-D350 PolarHBondContact O-N 3.19Å; D350-A354 VanDerWaalsContact O-CB 3.23Å; D350-A354 WeakPolarHBondContact O-CB 3.44Å; D350-A354 PolarHBondContact O-N 3.29Å |
| 351 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.9 | 178.5 | -107.6 | 0 | 0 | 0 | 112.4 | I207 L210 A211 M214 N347 A348 E349 K353 A354 L355 M430 C431 | I207-F351 HydrophobicContact CB-CZ 4.47Å; L210-F351 HydrophobicContact CB-CE2 4.26Å; L210-F351 HydrophobicContact CD2-CD2 4.25Å; L210-F351 HydrophobicContact CD2-CE2 3.88Å; L210-F351 HydrophobicContact CG-CD2 4.26Å; L210-F351 HydrophobicContact CG-CE2 3.93Å; A211-F351 HydrophobicContact CB-CD2 4.33Å; A211-F351 HydrophobicContact CB-CE2 3.76Å; A211-F351 HydrophobicContact CB-CZ 4.11Å; M214-F351 HydrophobicContact CE-CB 4.22Å; M214-F351 HydrophobicContact SD-CB 4.3Å; M214-F351 HydrophobicContact SD-CD2 3.77Å; N347-F351 PolarHBondContact O-N 2.97Å; A348-F351 WeakPolarHBondContact O-CB 3.37Å; A348-F351 PolarHBondContact O-N 3.46Å; A348-F351 VanDerWaalsContact O-N 3.13Å; E349-F351 PolarHBondContact O-N 3.15Å; F351-K353 PolarHBondContact O-N 3.1Å; F351-A354 PolarHBondContact O-N 3.05Å; F351-L355 HydrophobicContact CD1-CD1 4Å; F351-L355 HydrophobicContact CE1-CD1 3.51Å; F351-L355 HydrophobicContact CE2-CD1 4.18Å; F351-L355 HydrophobicContact CZ-CD1 3.62Å; F351-L355 HydrophobicContact CZ-CG 4.44Å; F351-L355 WeakPolarHBondContact O-CG 3.47Å; F351-L355 PolarHBondContact O-N 3.32Å; F351-M430 HydrophobicContact CB-CE 3.49Å; F351-M430 VanDerWaalsContact CB-CE 3.49Å; F351-M430 HydrophobicContact CB-SD 4Å; F351-M430 WeakPolarHBondContact CD1-O 3.43Å; F351-M430 HydrophobicContact CD2-CE 3.99Å; F351-M430 HydrophobicContact CG-CE 3.91Å; F351-M430 HydrophobicContact CG-SD 4.38Å; F351-C431 HydrophobicContact CE1-CB 3.74Å; F351-C431 HydrophobicContact CZ-CB 3.81Å |
| 352 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70 | -32.7 | 179.4 | -69.6 | -78.5 | 0 | 0 | 0 | 112.8 | A348 E349 L355 G356 I357 L379 L392 V393 V436 | A348-Y352 WeakPolarHBondContact O-CD2 3.48Å; A348-Y352 PolarHBondContact O-N 3.23Å; A348-Y352 VanDerWaalsContact O-N 3.16Å; E349-Y352 PolarHBondContact O-N 3.17Å; Y352-L355 PolarHBondContact O-N 3.15Å; Y352-G356 PolarHBondContact O-N 3.08Å; Y352-I357 HydrophobicContact CD1-CB 4.25Å; Y352-I357 HydrophobicContact CD1-CD1 4Å; Y352-I357 HydrophobicContact CD1-CG2 4.29Å; Y352-I357 HydrophobicContact CE1-CD1 4.46Å; Y352-I357 PolarHBondContact O-N 3.31Å; Y352-L379 HydrophobicContact CD1-CD2 4.36Å; Y352-L379 HydrophobicContact CD2-CD1 3.49Å; Y352-L379 VanDerWaalsContact CD2-CD1 3.49Å; Y352-L379 HydrophobicContact CD2-CD2 3.86Å; Y352-L379 HydrophobicContact CD2-CG 4.33Å; Y352-L379 HydrophobicContact CE2-CD1 4.18Å; Y352-L379 HydrophobicContact CE2-CD2 4.2Å; Y352-L379 HydrophobicContact CG-CD1 4.08Å; Y352-L379 HydrophobicContact CG-CD2 3.99Å; Y352-L392 HydrophobicContact CD1-CD1 4.04Å; Y352-L392 HydrophobicContact CE1-CB 4.08Å; Y352-L392 HydrophobicContact CE1-CD1 3.36Å; Y352-L392 HydrophobicContact CE1-CG 4.37Å; Y352-L392 WeakPolarHBondContact OH-CB 3.29Å; Y352-V393 HydrophobicContact CD2-CG2 4.32Å; Y352-V393 HydrophobicContact CE2-CG2 3.32Å; Y352-V436 HydrophobicContact CE1-CG2 3.94Å; Y352-V436 WeakPolarHBondContact OH-CG2 3.38Å |
| 353 | K | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 20.3 Ų | 20.3 | 34% | 0.335 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 170 | -72.8 | 169.6 | -175.3 | 153.6 | 0 | 110.9 | F159 E349 F351 L355 G356 F359 | F159-K353 HydrophobicContact CD1-CG 3.95Å; F159-K353 HydrophobicContact CD2-CD 4.4Å; F159-K353 HydrophobicContact CD2-CG 3.96Å; F159-K353 HydrophobicContact CE1-CB 4.2Å; F159-K353 HydrophobicContact CE1-CG 3.77Å; F159-K353 HydrophobicContact CE2-CD 4.35Å; F159-K353 HydrophobicContact CE2-CG 3.77Å; F159-K353 HydrophobicContact CG-CG 4.05Å; F159-K353 HydrophobicContact CZ-CB 4.04Å; F159-K353 HydrophobicContact CZ-CG 3.67Å; E349-K353 WeakPolarHBondContact O-CB 3.47Å; E349-K353 WeakPolarHBondContact O-CG 3.42Å; E349-K353 PolarHBondContact O-N 3.47Å; E349-K353 WeakPolarHBondContact OE2-CE 3.39Å; E349-K353 IonicContact OE2-NZ 2.72Å; E349-K353 PolarHBondContact OE2-NZ 3.32Å; F351-K353 PolarHBondContact O-N 3.1Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 3.44Å; K353-G356 PolarHBondContact O-N 3.44Å; K353-F359 HydrophobicContact CG-CE1 4.05Å; K353-F359 HydrophobicContact CG-CZ 4.25Å |
| 354 | A | 98.3 | Very high | 98.6 | Very high | 41 Ų | 41 | 17.3 Ų | 17.3 | 34% | 0.339 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -64.7 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D350 F351 G356 I455 | D350-A354 VanDerWaalsContact O-CB 3.23Å; D350-A354 WeakPolarHBondContact O-CB 3.44Å; D350-A354 PolarHBondContact O-N 3.29Å; F351-A354 PolarHBondContact O-N 3.05Å; A354-G356 PolarHBondContact O-N 3.3Å; A354-I455 HydrophobicContact CB-CD1 3.78Å; A354-I455 WeakPolarHBondContact O-CG2 3.35Å |
| 355 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.1 | 171.3 | -68.4 | 178.6 | 0 | 0 | 0 | 113.6 | L210 F351 Y352 K353 I357 V436 L440 Y444 I455 L456 | L210-L355 HydrophobicContact CD2-CD2 3.75Å; L210-L355 HydrophobicContact CD2-CG 4.37Å; F351-L355 HydrophobicContact CD1-CD1 4Å; F351-L355 HydrophobicContact CE1-CD1 3.51Å; F351-L355 HydrophobicContact CE2-CD1 4.18Å; F351-L355 HydrophobicContact CZ-CD1 3.62Å; F351-L355 HydrophobicContact CZ-CG 4.44Å; F351-L355 WeakPolarHBondContact O-CG 3.47Å; F351-L355 PolarHBondContact O-N 3.32Å; Y352-L355 PolarHBondContact O-N 3.15Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 3.44Å; L355-I357 VanDerWaalsContact C-N 3.31Å; L355-I357 HydrophobicContact CB-CD1 3.89Å; L355-I357 HydrophobicContact CB-CG1 4.03Å; L355-I357 HydrophobicContact CD1-CD1 3.92Å; L355-I357 PolarHBondContact O-N 2.91Å; L355-V436 HydrophobicContact CD1-CG1 3.94Å; L355-L440 HydrophobicContact CB-CD2 4.46Å; L355-L440 HydrophobicContact CD2-CD2 4.49Å; L355-Y444 VanDerWaalsContact O-CE2 3.28Å; L355-Y444 WeakPolarHBondContact O-CE2 3.36Å; L355-Y444 PolarHBondContact O-OH 3.43Å; L355-I455 HydrophobicContact CD2-CG2 4.23Å; L355-L456 HydrophobicContact CD2-CD1 3.79Å; L355-L456 HydrophobicContact CD2-CD2 3.95Å; L355-L456 HydrophobicContact CD2-CG 3.88Å |
| 356 | G | 98.2 | Very high | 98.6 | Very high | 35 Ų | 35 | 17.3 Ų | 17.3 | 36% | 0.361 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 30.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y352 K353 A354 | Y352-G356 PolarHBondContact O-N 3.08Å; K353-G356 PolarHBondContact O-N 3.44Å; A354-G356 PolarHBondContact O-N 3.3Å |
| 357 | I | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -92.5 | 122.8 | 178.6 | -66.9 | 169.7 | 0 | 0 | 0 | 108.9 | Y352 L355 F359 A381 A439 L440 | Y352-I357 HydrophobicContact CD1-CB 4.25Å; Y352-I357 HydrophobicContact CD1-CD1 4Å; Y352-I357 HydrophobicContact CD1-CG2 4.29Å; Y352-I357 HydrophobicContact CE1-CD1 4.46Å; Y352-I357 PolarHBondContact O-N 3.31Å; L355-I357 VanDerWaalsContact C-N 3.31Å; L355-I357 HydrophobicContact CB-CD1 3.89Å; L355-I357 HydrophobicContact CB-CG1 4.03Å; L355-I357 HydrophobicContact CD1-CD1 3.92Å; L355-I357 PolarHBondContact O-N 2.91Å; I357-F359 WeakPolarHBondContact O-CD1 3.11Å; I357-A381 HydrophobicContact CG2-CB 3.64Å; I357-A439 HydrophobicContact CD1-CB 4.05Å; I357-A439 HydrophobicContact CG2-CB 4.33Å; I357-L440 HydrophobicContact CD1-CD2 3.89Å; I357-L440 HydrophobicContact CD1-CG 4.11Å; I357-L440 HydrophobicContact CG1-CD2 4.23Å | ||
| 358 | P | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | trans | -69.8 | 142.8 | 174.4 | 26.1 | -31.2 | 0 | 0 | 0 | 111.6 | F159 D161 I162 A381 W382 N443 | F159-P358 CarbonylContact O-C 3.49Å; F159-P358 VanDerWaalsContact O-CA 3.28Å; F159-P358 WeakPolarHBondContact O-CA 3.49Å; D161-P358 VanDerWaalsContact O-CB 3.29Å; D161-P358 WeakPolarHBondContact O-CB 3.28Å; D161-P358 WeakPolarHBondContact O-CG 3.42Å; I162-P358 HydrophobicContact CG2-CB 4.2Å; P358-A381 CarbonylContact O-C 3.5Å; P358-A381 WeakPolarHBondContact O-CA 3.4Å; P358-W382 HydrophobicContact CB-CB 4.19Å; P358-W382 HydrophobicContact CG-CB 3.99Å; P358-W382 PolarHBondContact O-N 2.88Å; P358-N443 VanDerWaalsContact CD-OD1 3.27Å; P358-N443 WeakPolarHBondContact CD-OD1 3.45Å; P358-N443 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 359 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 171 | -177.4 | 64.2 | -100.2 | 0 | 0 | 0 | 113.7 | F159 E349 K353 I357 I361 L379 E380 | F159-F359 HydrophobicContact CB-CD1 4.15Å; F159-F359 HydrophobicContact CB-CD2 4.26Å; F159-F359 HydrophobicContact CB-CE1 3.76Å; F159-F359 HydrophobicContact CB-CE2 3.88Å; F159-F359 HydrophobicContact CB-CG 4.38Å; F159-F359 HydrophobicContact CB-CZ 3.61Å; F159-F359 AromaticContact CD1-CD1 3.85Å; F159-F359 HydrophobicContact CD1-CD1 3.85Å; F159-F359 AromaticContact CD1-CE1 3.49Å; F159-F359 HydrophobicContact CD1-CE1 3.49Å; F159-F359 VanDerWaalsContact CD1-CE1 3.49Å; F159-F359 HydrophobicContact CD1-CZ 4.16Å; F159-F359 HydrophobicContact CE1-CE1 4.39Å; F159-F359 HydrophobicContact CG-CD1 4.41Å; F159-F359 AromaticContact CG-CE1 3.85Å; F159-F359 HydrophobicContact CG-CE1 3.85Å; F159-F359 HydrophobicContact CG-CZ 4.04Å; F159-F359 PolarHBondContact N-O 3.43Å; F159-F359 PolarHBondContact O-N 2.87Å; E349-F359 HydrophobicContact CB-CE2 4.46Å; E349-F359 HydrophobicContact CB-CZ 3.89Å; E349-F359 HydrophobicContact CG-CE2 3.69Å; E349-F359 HydrophobicContact CG-CZ 3.62Å; K353-F359 HydrophobicContact CG-CE1 4.05Å; K353-F359 HydrophobicContact CG-CZ 4.25Å; I357-F359 WeakPolarHBondContact O-CD1 3.11Å; F359-I361 HydrophobicContact CD2-CD1 4.1Å; F359-I361 HydrophobicContact CD2-CG1 4.41Å; F359-I361 HydrophobicContact CE2-CD1 4.01Å; F359-I361 HydrophobicContact CE2-CG1 4.15Å; F359-L379 HydrophobicContact CB-CD2 3.52Å; F359-L379 HydrophobicContact CB-CG 3.89Å; F359-L379 HydrophobicContact CD1-CD1 4.1Å; F359-L379 HydrophobicContact CD1-CD2 4.23Å; F359-L379 HydrophobicContact CD1-CG 4.36Å; F359-L379 HydrophobicContact CD2-CD1 3.79Å; F359-L379 HydrophobicContact CD2-CD2 4.25Å; F359-L379 HydrophobicContact CD2-CG 3.68Å; F359-L379 HydrophobicContact CE1-CD1 4.21Å; F359-L379 HydrophobicContact CE2-CD1 3.91Å; F359-L379 HydrophobicContact CE2-CG 4.28Å; F359-L379 HydrophobicContact CG-CD1 3.9Å; F359-L379 HydrophobicContact CG-CD2 3.77Å; F359-L379 HydrophobicContact CG-CG 3.73Å; F359-L379 HydrophobicContact CZ-CD1 4.11Å; F359-E380 CarbonylContact C-O 3.55Å; F359-E380 VanDerWaalsContact CA-O 3.22Å; F359-E380 WeakPolarHBondContact CA-O 3.27Å; F359-E380 WeakPolarHBondContact CB-O 3.34Å |
| 360 | R | 98.6 | Very high | 98.1 | Very high | 68 Ų | 68 | 21.9 Ų | 21.9 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.4 | 161.9 | 65.9 | 179.4 | -177.1 | 174.6 | 4.2 | 110.5 | V155 R157 I158 V362 E380 Y389 | V155-R360 HydrophobicContact CG1-CB 4.28Å; R157-R360 CarbonylContact O-C 3.49Å; R157-R360 VanDerWaalsContact O-CA 3.24Å; R157-R360 WeakPolarHBondContact O-CA 3.43Å; I158-R360 HydrophobicContact CG1-CB 4.23Å; R360-V362 HydrophobicContact CG-CG1 4.05Å; R360-E380 HydrophobicContact CG-CB 4.06Å; R360-E380 IonicContact CZ-OE2 3.98Å; R360-E380 PolarHBondContact N-O 3.49Å; R360-E380 IonicContact NE-OE2 3.59Å; R360-E380 PolarHBondContact NE-OE2 2.63Å; R360-E380 IonicContact NH2-OE1 2.91Å; R360-E380 IonicContact NH2-OE2 3.03Å; R360-E380 PolarHBondContact NH2-OE2 2.86Å; R360-E380 PolarHBondContact O-N 2.72Å; R360-Y389 HydrophobicContact CB-CE1 4.03Å; R360-Y389 HydrophobicContact CG-CD1 3.77Å; R360-Y389 HydrophobicContact CG-CE1 3.64Å; R360-Y389 HydrophobicContact CG-CE2 4.48Å; R360-Y389 HydrophobicContact CG-CG 4.24Å |
| 361 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.7 | 165.4 | -58.4 | -54.9 | 0 | 0 | 0 | 108.5 | E156 R157 I345 E349 F359 L377 D378 L379 | E156-I361 HydrophobicContact CB-CB 4.33Å; E156-I361 HydrophobicContact CB-CG2 4.13Å; E156-I361 HydrophobicContact CG-CG2 4.49Å; E156-I361 PolarHBondContact N-O 3.22Å; R157-I361 HydrophobicContact CB-CB 4.17Å; R157-I361 HydrophobicContact CB-CG1 4.11Å; R157-I361 PolarHBondContact O-N 3.03Å; I345-I361 HydrophobicContact CD1-CD1 4.02Å; I345-I361 HydrophobicContact CG1-CD1 4.24Å; E349-I361 HydrophobicContact CG-CD1 3.95Å; E349-I361 HydrophobicContact CG-CG1 4.3Å; E349-I361 WeakPolarHBondContact OE1-CG1 3.35Å; F359-I361 HydrophobicContact CD2-CD1 4.1Å; F359-I361 HydrophobicContact CD2-CG1 4.41Å; F359-I361 HydrophobicContact CE2-CD1 4.01Å; F359-I361 HydrophobicContact CE2-CG1 4.15Å; I361-L377 HydrophobicContact CG2-CB 4.23Å; I361-L377 HydrophobicContact CG2-CD1 4.29Å; I361-L377 HydrophobicContact CG2-CD2 4.22Å; I361-L377 HydrophobicContact CG2-CG 4.47Å; I361-D378 CarbonylContact C-O 3.42Å; I361-D378 VanDerWaalsContact CA-O 3.31Å; I361-D378 WeakPolarHBondContact CA-O 3.46Å; I361-L379 HydrophobicContact CD1-CB 3.62Å; I361-L379 HydrophobicContact CD1-CD1 3.83Å; I361-L379 HydrophobicContact CD1-CG 3.71Å |
| 362 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.9 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | N153 R154 V155 R360 I364 L377 D378 E380 | N153-V362 HydrophobicContact CB-CB 4.26Å; R154-V362 CarbonylContact O-C 3.57Å; R154-V362 WeakPolarHBondContact O-CA 3.48Å; V155-V362 HydrophobicContact CG2-CG1 4.18Å; R360-V362 HydrophobicContact CG-CG1 4.05Å; V362-I364 HydrophobicContact CG2-CD1 3.87Å; V362-L377 CarbonylContact O-C 3.59Å; V362-L377 VanDerWaalsContact O-CA 3.31Å; V362-L377 WeakPolarHBondContact O-CA 3.48Å; V362-D378 HydrophobicContact CG2-CB 3.83Å; V362-D378 PolarHBondContact N-O 2.82Å; V362-D378 PolarHBondContact O-N 3.47Å; V362-E380 HydrophobicContact CG2-CG 4.17Å; V362-E380 WeakPolarHBondContact CG2-OE1 3.43Å |
| 363 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117 | 167.7 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | P145 R154 E156 L377 | P145-C363 WeakPolarHBondContact CD-SG 3.15Å; P145-C363 HydrophobicContact CG-CB 4.49Å; P145-C363 WeakPolarHBondContact CG-O 3.45Å; R154-C363 PolarHBondContact N-O 3.1Å; R154-C363 PolarHBondContact O-N 2.91Å; E156-C363 HydrophobicContact CG-CB 4.1Å; E156-C363 WeakPolarHBondContact OE1-CB 3.35Å; C363-L377 HydrophobicContact CB-CD2 3.7Å |
| 364 | I | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 136.9 | -176.5 | -55.7 | -55.8 | 0 | 0 | 0 | 110.2 | N153 V362 E368 L369 K376 D378 | N153-I364 WeakPolarHBondContact OD1-CA 3.49Å; V362-I364 HydrophobicContact CG2-CD1 3.87Å; I364-E368 HydrophobicContact CG2-CB 3.85Å; I364-L369 HydrophobicContact CB-CD2 4.16Å; I364-L369 HydrophobicContact CG2-CD2 4.17Å; I364-K376 HydrophobicContact CB-CB 4.23Å; I364-K376 HydrophobicContact CB-CG 4.47Å; I364-K376 HydrophobicContact CG1-CB 4.2Å; I364-K376 HydrophobicContact CG1-CD 4.08Å; I364-K376 HydrophobicContact CG1-CG 3.93Å; I364-K376 PolarHBondContact N-O 2.7Å; I364-K376 VanDerWaalsContact N-O 3.16Å; I364-D378 HydrophobicContact CD1-CB 4.03Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.49Å; I364-D378 HydrophobicContact CG1-CB 4.46Å |
| 365 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 152.2 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | P145 S147 N152 N153 G367 E368 L369 | P145-V365 HydrophobicContact CB-CG1 4.24Å; P145-V365 HydrophobicContact CG-CG1 3.99Å; P145-V365 WeakPolarHBondContact O-CA 3.33Å; S147-V365 WeakPolarHBondContact O-CB 3.22Å; N152-V365 HydrophobicContact CB-CG1 4.15Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.31Å; N153-V365 PolarHBondContact OD1-N 2.87Å; V365-G367 VanDerWaalsContact C-N 3.32Å; V365-G367 PolarHBondContact O-N 2.94Å; V365-E368 HydrophobicContact CG2-CB 4.06Å; V365-E368 HydrophobicContact CG2-CG 3.85Å; V365-E368 PolarHBondContact O-N 2.84Å; V365-L369 PolarHBondContact O-N 3.08Å |
| 366 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -61.4 | -31.1 | -172.8 | 54.1 | 0 | 0 | 0 | 0 | 115.4 | K25 P145 V146 S147 E368 | K25-S366 WeakPolarHBondContact O-CB 3.35Å; K25-S366 PolarHBondContact O-OG 2.83Å; P145-S366 PolarHBondContact O-N 3.24Å; V146-S366 WeakPolarHBondContact CA-OG 3.5Å; S147-S366 PolarHBondContact N-OG 3.07Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 3.32Å |
| 367 | G | 97.5 | Very high | 97.9 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -66.8 | -27.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S147 V365 | S147-G367 PolarHBondContact O-N 2.98Å; V365-G367 VanDerWaalsContact C-N 3.32Å; V365-G367 PolarHBondContact O-N 2.94Å |
| 368 | E | 96.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 16.8 Ų | 16.8 | 41% | 0.411 | 8% | 0.081 | S | C | . | . | G | 310 helix | trans | -101.4 | -0.1 | -173.8 | -64.2 | -69.3 | 164.7 | 0 | 0 | 112.9 | E150 I364 V365 S366 N370 | E150-E368 HydrophobicContact CG-CB 4.27Å; E150-E368 HydrophobicContact CG-CG 3.52Å; I364-E368 HydrophobicContact CG2-CB 3.85Å; V365-E368 HydrophobicContact CG2-CB 4.06Å; V365-E368 HydrophobicContact CG2-CG 3.85Å; V365-E368 PolarHBondContact O-N 2.84Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 3.32Å; E368-N370 PolarHBondContact O-N 3.14Å |
| 369 | L | 96.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | trans | -70.7 | 128.2 | 168.9 | -64.8 | -176.8 | 0 | 0 | 0 | 110.2 | R26 I140 V144 I364 V365 A373 K376 | R26-L369 VanDerWaalsContact NH1-CB 3.28Å; R26-L369 PolarHBondContact NH1-O 2.98Å; I140-L369 HydrophobicContact CG1-CD1 4.43Å; V144-L369 HydrophobicContact CG1-CD1 3.98Å; V144-L369 HydrophobicContact CG2-CD1 4.35Å; I364-L369 HydrophobicContact CB-CD2 4.16Å; I364-L369 HydrophobicContact CG2-CD2 4.17Å; V365-L369 PolarHBondContact O-N 3.08Å; L369-A373 HydrophobicContact CD2-CB 4.48Å; L369-K376 HydrophobicContact CD2-CB 3.45Å; L369-K376 VanDerWaalsContact CD2-CB 3.45Å | ||
| 370 | N | 93.9 | Very high | 97.9 | Very high | 63 Ų | 63 | 17.5 Ų | 17.5 | 34% | 0.337 | 8% | 0.084 | S | C | . | . | trans | -61.9 | 161.4 | 167.2 | 77.2 | -21.6 | 0 | 0 | 0 | 110.7 | R26 E368 A372 A373 | R26-N370 PolarHBondContact NH1-O 3.37Å; E368-N370 PolarHBondContact O-N 3.14Å; N370-A372 PolarHBondContact O-N 3.02Å; N370-A373 PolarHBondContact O-N 3.18Å; N370-A373 WeakPolarHBondContact OD1-CB 3.36Å; N370-A373 PolarHBondContact OD1-N 3.11Å | ||
| 371 | N | 95.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 14.3 Ų | 14.3 | 13% | 0.128 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -57.4 | -26.6 | -177.2 | -71.5 | 3.9 | 0 | 0 | 0 | 114.1 | I134 G137 N138 Y401 | I134-N371 PolarHBondContact O-ND2 3.3Å; G137-N371 CarbonylContact C-O 3.56Å; G137-N371 WeakPolarHBondContact CA-O 3.34Å; N138-N371 WeakPolarHBondContact CB-O 3.39Å; N138-N371 PolarHBondContact N-O 3.45Å; N371-Y401 HydrophobicContact CB-CE1 4.32Å |
| 372 | A | 96.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -80.1 | -40.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 N138 N370 A374 C398 Y401 Q402 | M1-A372 HydrophobicContact SD-CB 3.99Å; N138-A372 WeakPolarHBondContact CB-O 3.45Å; N138-A372 PolarHBondContact ND2-O 3.41Å; N370-A372 PolarHBondContact O-N 3.02Å; A372-A374 PolarHBondContact O-N 2.94Å; A372-C398 HydrophobicContact CB-CB 4.4Å; A372-C398 WeakPolarHBondContact O-CA 3.04Å; A372-Y401 VanDerWaalsContact CA-CD1 3.48Å; A372-Y401 HydrophobicContact CB-CD1 3.84Å; A372-Y401 HydrophobicContact CB-CE1 4.22Å; A372-Q402 HydrophobicContact CB-CG 4.5Å |
| 373 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -73.4 | 125.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R26 L369 N370 K376 | R26-A373 PolarHBondContact NH2-O 2.89Å; L369-A373 HydrophobicContact CD2-CB 4.48Å; N370-A373 PolarHBondContact O-N 3.18Å; N370-A373 WeakPolarHBondContact OD1-CB 3.36Å; N370-A373 PolarHBondContact OD1-N 3.11Å; A373-K376 HydrophobicContact CB-CB 4.49Å | ||
| 374 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -77.9 | -31.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I139 H141 W338 A372 N397 T399 | I139-A374 WeakPolarHBondContact O-CA 3.46Å; I139-A374 WeakPolarHBondContact O-CB 3.27Å; H141-A374 PolarHBondContact N-O 2.73Å; W338-A374 HydrophobicContact CH2-CB 3.86Å; W338-A374 HydrophobicContact CZ2-CB 4.18Å; A372-A374 PolarHBondContact O-N 2.94Å; A374-N397 PolarHBondContact N-O 3.09Å; A374-T399 HydrophobicContact CB-CG2 4.03Å |
| 375 | K | 98.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 16.5 Ų | 16.5 | 10% | 0.1 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.9 | 172.4 | -174.6 | 179.6 | 176.5 | -174.5 | 0 | 108.3 | H141 T143 V144 W338 F341 S396 N397 | H141-K375 HydrophobicContact CB-CB 3.97Å; H141-K375 HydrophobicContact CB-CD 4.47Å; T143-K375 PolarHBondContact OG1-NZ 2.66Å; V144-K375 HydrophobicContact CG2-CB 4.03Å; V144-K375 HydrophobicContact CG2-CG 3.86Å; W338-K375 HydrophobicContact CH2-CB 3.84Å; W338-K375 HydrophobicContact CZ3-CB 3.65Å; W338-K375 HydrophobicContact CZ3-CD 4.03Å; W338-K375 HydrophobicContact CZ3-CG 4.47Å; F341-K375 HydrophobicContact CD1-CD 4.45Å; F341-K375 HydrophobicContact CE1-CD 3.7Å; F341-K375 HydrophobicContact CE1-CG 4.13Å; F341-K375 HydrophobicContact CZ-CB 4.32Å; F341-K375 HydrophobicContact CZ-CD 4.07Å; F341-K375 HydrophobicContact CZ-CG 3.96Å; K375-S396 WeakPolarHBondContact O-CA 3.32Å; K375-N397 PolarHBondContact O-N 2.87Å; K375-N397 VanDerWaalsContact O-N 3.13Å |
| 376 | K | 98.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 18.5 Ų | 18.5 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.2 | 175.7 | -177.2 | 177.9 | 160.7 | -176.8 | 0 | 110.1 | I364 L369 A373 D378 S394 C395 | I364-K376 HydrophobicContact CB-CB 4.23Å; I364-K376 HydrophobicContact CB-CG 4.47Å; I364-K376 HydrophobicContact CG1-CB 4.2Å; I364-K376 HydrophobicContact CG1-CD 4.08Å; I364-K376 HydrophobicContact CG1-CG 3.93Å; I364-K376 PolarHBondContact N-O 2.7Å; I364-K376 VanDerWaalsContact N-O 3.16Å; L369-K376 HydrophobicContact CD2-CB 3.45Å; L369-K376 VanDerWaalsContact CD2-CB 3.45Å; A373-K376 HydrophobicContact CB-CB 4.49Å; K376-D378 WeakPolarHBondContact CE-OD1 3.44Å; K376-D378 VanDerWaalsContact CE-OD2 3.22Å; K376-D378 WeakPolarHBondContact CE-OD2 3.28Å; K376-D378 WeakPolarHBondContact CG-OD1 3.4Å; K376-D378 IonicContact NZ-OD1 2.72Å; K376-D378 IonicContact NZ-OD2 3.69Å; K376-D378 PolarHBondContact NZ-OD2 2.93Å; K376-S394 WeakPolarHBondContact CE-OG 3.35Å; K376-S394 PolarHBondContact NZ-OG 3.16Å; K376-C395 CarbonylContact C-O 3.5Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.18Å |
| 377 | L | 98.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.4 | 170.8 | -70.7 | -178.7 | 0 | 0 | 0 | 108.9 | E156 F341 I345 I361 V362 C363 C395 | E156-L377 HydrophobicContact CG-CD2 4.16Å; F341-L377 HydrophobicContact CD1-CD1 4.48Å; F341-L377 HydrophobicContact CE1-CD1 3.53Å; F341-L377 HydrophobicContact CE1-CG 3.68Å; F341-L377 HydrophobicContact CZ-CB 4.07Å; F341-L377 HydrophobicContact CZ-CD1 3.96Å; F341-L377 HydrophobicContact CZ-CG 3.64Å; I345-L377 HydrophobicContact CB-CD1 4.4Å; I345-L377 HydrophobicContact CD1-CB 4.4Å; I345-L377 HydrophobicContact CG1-CB 4.32Å; I345-L377 HydrophobicContact CG1-CD1 4.16Å; I345-L377 HydrophobicContact CG2-CD1 4.06Å; I361-L377 HydrophobicContact CG2-CB 4.23Å; I361-L377 HydrophobicContact CG2-CD1 4.29Å; I361-L377 HydrophobicContact CG2-CD2 4.22Å; I361-L377 HydrophobicContact CG2-CG 4.47Å; V362-L377 CarbonylContact O-C 3.59Å; V362-L377 VanDerWaalsContact O-CA 3.31Å; V362-L377 WeakPolarHBondContact O-CA 3.48Å; C363-L377 HydrophobicContact CB-CD2 3.7Å; L377-C395 PolarHBondContact N-O 3.16Å; L377-C395 WeakPolarHBondContact O-CB 3.33Å; L377-C395 PolarHBondContact O-N 3.39Å |
| 378 | D | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.9 | 176.8 | -70.7 | 5.2 | 0 | 0 | 0 | 110.8 | I361 V362 I364 K376 E391 V393 S394 | I361-D378 CarbonylContact C-O 3.42Å; I361-D378 VanDerWaalsContact CA-O 3.31Å; I361-D378 WeakPolarHBondContact CA-O 3.46Å; V362-D378 HydrophobicContact CG2-CB 3.83Å; V362-D378 PolarHBondContact N-O 2.82Å; V362-D378 PolarHBondContact O-N 3.47Å; I364-D378 HydrophobicContact CD1-CB 4.03Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.49Å; I364-D378 HydrophobicContact CG1-CB 4.46Å; K376-D378 WeakPolarHBondContact CE-OD1 3.44Å; K376-D378 VanDerWaalsContact CE-OD2 3.22Å; K376-D378 WeakPolarHBondContact CE-OD2 3.28Å; K376-D378 WeakPolarHBondContact CG-OD1 3.4Å; K376-D378 IonicContact NZ-OD1 2.72Å; K376-D378 IonicContact NZ-OD2 3.69Å; K376-D378 PolarHBondContact NZ-OD2 2.93Å; D378-E391 HydrophobicContact CB-CG 4.35Å; D378-V393 CarbonylContact C-O 3.55Å; D378-V393 WeakPolarHBondContact CA-O 3.21Å; D378-V393 WeakPolarHBondContact CB-O 3.35Å; D378-S394 VanDerWaalsContact OD1-CA 3.3Å; D378-S394 WeakPolarHBondContact OD1-CA 3.47Å; D378-S394 PolarHBondContact OD1-OG 3.26Å |
| 379 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.7 | 166.6 | -171.1 | 156.4 | 0 | 0 | 0 | 107.8 | E349 Y352 F359 I361 L392 V393 | E349-L379 HydrophobicContact CG-CD1 4.13Å; Y352-L379 HydrophobicContact CD1-CD2 4.36Å; Y352-L379 HydrophobicContact CD2-CD1 3.49Å; Y352-L379 VanDerWaalsContact CD2-CD1 3.49Å; Y352-L379 HydrophobicContact CD2-CD2 3.86Å; Y352-L379 HydrophobicContact CD2-CG 4.33Å; Y352-L379 HydrophobicContact CE2-CD1 4.18Å; Y352-L379 HydrophobicContact CE2-CD2 4.2Å; Y352-L379 HydrophobicContact CG-CD1 4.08Å; Y352-L379 HydrophobicContact CG-CD2 3.99Å; F359-L379 HydrophobicContact CB-CD2 3.52Å; F359-L379 HydrophobicContact CB-CG 3.89Å; F359-L379 HydrophobicContact CD1-CD1 4.1Å; F359-L379 HydrophobicContact CD1-CD2 4.23Å; F359-L379 HydrophobicContact CD1-CG 4.36Å; F359-L379 HydrophobicContact CD2-CD1 3.79Å; F359-L379 HydrophobicContact CD2-CD2 4.25Å; F359-L379 HydrophobicContact CD2-CG 3.68Å; F359-L379 HydrophobicContact CE1-CD1 4.21Å; F359-L379 HydrophobicContact CE2-CD1 3.91Å; F359-L379 HydrophobicContact CE2-CG 4.28Å; F359-L379 HydrophobicContact CG-CD1 3.9Å; F359-L379 HydrophobicContact CG-CD2 3.77Å; F359-L379 HydrophobicContact CG-CG 3.73Å; F359-L379 HydrophobicContact CZ-CD1 4.11Å; I361-L379 HydrophobicContact CD1-CB 3.62Å; I361-L379 HydrophobicContact CD1-CD1 3.83Å; I361-L379 HydrophobicContact CD1-CG 3.71Å; L379-L392 PolarHBondContact O-N 2.88Å; L379-V393 HydrophobicContact CB-CB 3.75Å; L379-V393 HydrophobicContact CB-CG2 4.04Å; L379-V393 PolarHBondContact N-O 2.72Å; L379-V393 PolarHBondContact O-N 3.36Å |
| 380 | E | 98.7 | Very high | 97.3 | Very high | 23 Ų | 23 | 22.6 Ų | 22.6 | 11% | 0.107 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 112.9 | 176.3 | -57.8 | 178.8 | 176.5 | 0 | 0 | 109.2 | F359 R360 V362 Y389 R390 | F359-E380 CarbonylContact C-O 3.55Å; F359-E380 VanDerWaalsContact CA-O 3.22Å; F359-E380 WeakPolarHBondContact CA-O 3.27Å; F359-E380 WeakPolarHBondContact CB-O 3.34Å; R360-E380 HydrophobicContact CG-CB 4.06Å; R360-E380 IonicContact CZ-OE2 3.98Å; R360-E380 PolarHBondContact N-O 3.49Å; R360-E380 IonicContact NE-OE2 3.59Å; R360-E380 PolarHBondContact NE-OE2 2.63Å; R360-E380 IonicContact NH2-OE1 2.91Å; R360-E380 IonicContact NH2-OE2 3.03Å; R360-E380 PolarHBondContact NH2-OE2 2.86Å; R360-E380 PolarHBondContact O-N 2.72Å; V362-E380 HydrophobicContact CG2-CG 4.17Å; V362-E380 WeakPolarHBondContact CG2-OE1 3.43Å; E380-Y389 HydrophobicContact CB-CD1 4.23Å; E380-Y389 HydrophobicContact CB-CG 4.5Å; E380-Y389 WeakPolarHBondContact O-CD1 3.45Å; E380-Y389 WeakPolarHBondContact OE2-CB 3.44Å; E380-R390 CarbonylContact C-O 3.53Å; E380-R390 WeakPolarHBondContact CA-O 3.23Å |
| 381 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 148.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I357 P358 F383 Y389 R390 L392 | I357-A381 HydrophobicContact CG2-CB 3.64Å; P358-A381 CarbonylContact O-C 3.5Å; P358-A381 WeakPolarHBondContact O-CA 3.4Å; A381-F383 HydrophobicContact CB-CD2 4.36Å; A381-F383 HydrophobicContact CB-CE2 3.97Å; A381-F383 WeakPolarHBondContact O-CD2 3.35Å; A381-Y389 CarbonylContact O-C 3.6Å; A381-Y389 WeakPolarHBondContact O-CA 3.34Å; A381-R390 PolarHBondContact N-O 3.22Å; A381-R390 PolarHBondContact O-N 2.87Å; A381-L392 HydrophobicContact CB-CD1 3.33Å; A381-L392 HydrophobicContact CB-CG 3.75Å |
| 382 | W | 98.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 21.7 Ų | 21.7 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.6 | 171.6 | 174.6 | -108 | 0 | 0 | 0 | 110.2 | I162 T164 P358 P384 A387 Y389 N443 | I162-W382 HydrophobicContact CB-CB 4.43Å; I162-W382 HydrophobicContact CB-CD2 4.5Å; I162-W382 HydrophobicContact CB-CG 4.3Å; I162-W382 HydrophobicContact CG2-CB 4.16Å; I162-W382 VanDerWaalsContact O-CE2 3.22Å; I162-W382 WeakPolarHBondContact O-CZ2 3.45Å; T164-W382 PolarHBondContact O-NE1 3.2Å; P358-W382 HydrophobicContact CB-CB 4.19Å; P358-W382 HydrophobicContact CG-CB 3.99Å; P358-W382 PolarHBondContact O-N 2.88Å; W382-P384 WeakPolarHBondContact O-CD 3.22Å; W382-A387 HydrophobicContact CH2-CB 4.29Å; W382-A387 WeakPolarHBondContact CH2-O 3.33Å; W382-A387 HydrophobicContact CZ2-CB 4.45Å; W382-Y389 HydrophobicContact CB-CD1 4.29Å; W382-Y389 HydrophobicContact CB-CE1 4.01Å; W382-Y389 HydrophobicContact CE3-CD1 4.38Å; W382-Y389 HydrophobicContact CE3-CD2 4.2Å; W382-Y389 HydrophobicContact CE3-CE1 4.36Å; W382-Y389 HydrophobicContact CE3-CE2 4.17Å; W382-Y389 HydrophobicContact CE3-CG 4.32Å; W382-Y389 HydrophobicContact CZ3-CD2 4.48Å; W382-N443 PolarHBondContact O-ND2 2.89Å; W382-N443 VanDerWaalsContact O-ND2 3.08Å |
| 383 | F | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 99.9 | 179.1 | -82.9 | -114.6 | 0 | 0 | 0 | 108.7 | F316 A381 G385 S386 A387 A388 R390 L392 C438 A439 E442 | F316-F383 HydrophobicContact CD2-CE1 4.27Å; F316-F383 HydrophobicContact CD2-CZ 4.21Å; F316-F383 HydrophobicContact CE2-CE1 4.31Å; F316-F383 HydrophobicContact CE2-CE2 4.48Å; F316-F383 AromaticContact CE2-CZ 3.85Å; F316-F383 HydrophobicContact CE2-CZ 3.85Å; A381-F383 HydrophobicContact CB-CD2 4.36Å; A381-F383 HydrophobicContact CB-CE2 3.97Å; A381-F383 WeakPolarHBondContact O-CD2 3.35Å; F383-G385 PolarHBondContact O-N 3.19Å; F383-S386 CarbonylContact O-C 3.58Å; F383-S386 PolarHBondContact O-N 3.46Å; F383-A387 WeakPolarHBondContact O-CA 3.42Å; F383-A387 PolarHBondContact O-N 3.46Å; F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.04Å; F383-A388 PolarHBondContact O-N 2.82Å; F383-R390 HydrophobicContact CD2-CB 3.61Å; F383-R390 HydrophobicContact CD2-CG 3.8Å; F383-R390 HydrophobicContact CE2-CB 3.51Å; F383-R390 HydrophobicContact CE2-CG 4.09Å; F383-R390 HydrophobicContact CG-CB 4.36Å; F383-R390 HydrophobicContact CG-CG 4.06Å; F383-R390 HydrophobicContact CZ-CB 4.16Å; F383-L392 HydrophobicContact CE2-CD2 4.11Å; F383-L392 HydrophobicContact CZ-CD2 4.05Å; F383-C438 HydrophobicContact CE1-CB 3.67Å; F383-C438 HydrophobicContact CZ-CB 4.3Å; F383-A439 HydrophobicContact CE1-CB 4.21Å; F383-A439 HydrophobicContact CE2-CB 3.9Å; F383-A439 HydrophobicContact CZ-CB 3.61Å; F383-E442 WeakPolarHBondContact CB-OE2 3.28Å; F383-E442 HydrophobicContact CD1-CG 4.42Å |
| 384 | P | 97.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.5 | -169.1 | 27.4 | -37 | 0 | 0 | 0 | 114.6 | T164 K165 K166 W382 E442 | T164-P384 VanDerWaalsContact O-CB 3.24Å; T164-P384 WeakPolarHBondContact O-CB 3.44Å; K165-P384 CarbonylContact C-O 3.56Å; K165-P384 VanDerWaalsContact CA-O 3.23Å; K165-P384 WeakPolarHBondContact CA-O 3.43Å; K166-P384 HydrophobicContact CB-CB 4.16Å; K166-P384 HydrophobicContact CB-CG 4.37Å; K166-P384 HydrophobicContact CD-CG 4.34Å; K166-P384 HydrophobicContact CG-CB 4.04Å; K166-P384 HydrophobicContact CG-CG 4.24Å; K166-P384 PolarHBondContact N-O 3.31Å; W382-P384 WeakPolarHBondContact O-CD 3.22Å; P384-E442 HydrophobicContact CG-CB 4Å; P384-E442 WeakPolarHBondContact CG-O 3.5Å |
| 385 | G | 95.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -36.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y168 F383 E442 | Y168-G385 WeakPolarHBondContact O-CA 3.49Å; F383-G385 PolarHBondContact O-N 3.19Å; G385-E442 VanDerWaalsContact CA-OE2 3.23Å; G385-E442 WeakPolarHBondContact CA-OE2 3.41Å; G385-E442 PolarHBondContact N-OE2 3.09Å |
| 386 | S | 93.2 | Very high | 97.7 | Very high | 42 Ų | 42 | 21.6 Ų | 21.6 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.3 | 175 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | F383 A388 E442 | F383-S386 CarbonylContact O-C 3.58Å; F383-S386 PolarHBondContact O-N 3.46Å; S386-A388 VanDerWaalsContact C-N 3.29Å; S386-A388 PolarHBondContact O-N 3.14Å; S386-E442 PolarHBondContact N-OE2 2.77Å; S386-E442 PolarHBondContact OG-OE1 2.86Å |
| 387 | A | 95.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 19.7 Ų | 19.7 | 31% | 0.314 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | K165 W382 F383 | K165-A387 HydrophobicContact CD-CB 3.97Å; K165-A387 HydrophobicContact CG-CB 4.23Å; W382-A387 HydrophobicContact CH2-CB 4.29Å; W382-A387 WeakPolarHBondContact CH2-O 3.33Å; W382-A387 HydrophobicContact CZ2-CB 4.45Å; F383-A387 WeakPolarHBondContact O-CA 3.42Å; F383-A387 PolarHBondContact O-N 3.46Å |
| 388 | A | 95.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 19.3 Ų | 19.3 | 19% | 0.19 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 160.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F383 S386 | F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.04Å; F383-A388 PolarHBondContact O-N 2.82Å; S386-A388 VanDerWaalsContact C-N 3.29Å; S386-A388 PolarHBondContact O-N 3.14Å |
| 389 | Y | 97.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 19.5 Ų | 19.5 | 18% | 0.176 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 144.3 | 166.3 | -74.2 | -72.9 | 0 | 0 | 0 | 111.1 | I162 R360 E380 A381 W382 | I162-Y389 VanDerWaalsContact CB-OH 3.28Å; I162-Y389 WeakPolarHBondContact CB-OH 3.24Å; I162-Y389 WeakPolarHBondContact CD1-OH 3.28Å; I162-Y389 HydrophobicContact CG2-CE1 4.15Å; I162-Y389 VanDerWaalsContact CG2-OH 3.23Å; I162-Y389 WeakPolarHBondContact CG2-OH 3.44Å; R360-Y389 HydrophobicContact CB-CE1 4.03Å; R360-Y389 HydrophobicContact CG-CD1 3.77Å; R360-Y389 HydrophobicContact CG-CE1 3.64Å; R360-Y389 HydrophobicContact CG-CE2 4.48Å; R360-Y389 HydrophobicContact CG-CG 4.24Å; E380-Y389 HydrophobicContact CB-CD1 4.23Å; E380-Y389 HydrophobicContact CB-CG 4.5Å; E380-Y389 WeakPolarHBondContact O-CD1 3.45Å; E380-Y389 WeakPolarHBondContact OE2-CB 3.44Å; A381-Y389 CarbonylContact O-C 3.6Å; A381-Y389 WeakPolarHBondContact O-CA 3.34Å; W382-Y389 HydrophobicContact CB-CD1 4.29Å; W382-Y389 HydrophobicContact CB-CE1 4.01Å; W382-Y389 HydrophobicContact CE3-CD1 4.38Å; W382-Y389 HydrophobicContact CE3-CD2 4.2Å; W382-Y389 HydrophobicContact CE3-CE1 4.36Å; W382-Y389 HydrophobicContact CE3-CE2 4.17Å; W382-Y389 HydrophobicContact CE3-CG 4.32Å; W382-Y389 HydrophobicContact CZ3-CD2 4.48Å |
| 390 | R | 97.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 20.9 Ų | 20.9 | 31% | 0.313 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 130.1 | 177.8 | -67.2 | -67.1 | -178.1 | -95.4 | 1.3 | 110 | F316 E380 A381 F383 L392 | F316-R390 HydrophobicContact CE2-CB 3.84Å; F316-R390 HydrophobicContact CE2-CG 4.24Å; F316-R390 HydrophobicContact CZ-CB 3.65Å; F316-R390 HydrophobicContact CZ-CG 4.06Å; E380-R390 CarbonylContact C-O 3.53Å; E380-R390 WeakPolarHBondContact CA-O 3.23Å; A381-R390 PolarHBondContact N-O 3.22Å; A381-R390 PolarHBondContact O-N 2.87Å; F383-R390 HydrophobicContact CD2-CB 3.61Å; F383-R390 HydrophobicContact CD2-CG 3.8Å; F383-R390 HydrophobicContact CE2-CB 3.51Å; F383-R390 HydrophobicContact CE2-CG 4.09Å; F383-R390 HydrophobicContact CG-CB 4.36Å; F383-R390 HydrophobicContact CG-CG 4.06Å; F383-R390 HydrophobicContact CZ-CB 4.16Å; R390-L392 PolarHBondContact O-N 3.32Å |
| 391 | E | 97.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 19.8 Ų | 19.8 | 30% | 0.299 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 123.9 | 178.8 | -172.8 | -147.2 | 155.9 | 0 | 0 | 111.5 | D378 S394 R435 | D378-E391 HydrophobicContact CB-CG 4.35Å; E391-S394 PolarHBondContact OE1-OG 2.67Å; E391-R435 WeakPolarHBondContact O-CD 3.45Å; E391-R435 PolarHBondContact O-NH1 3.22Å; E391-R435 IonicContact OE2-NH1 3.94Å; E391-R435 PolarHBondContact OE2-NH1 3.33Å |
| 392 | L | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -26.7 | 171.1 | -60.3 | -168.1 | 0 | 0 | 0 | 112.9 | F316 Y352 L379 A381 F383 R390 R435 A439 | F316-L392 HydrophobicContact CE2-CD2 4.38Å; Y352-L392 HydrophobicContact CD1-CD1 4.04Å; Y352-L392 HydrophobicContact CE1-CB 4.08Å; Y352-L392 HydrophobicContact CE1-CD1 3.36Å; Y352-L392 HydrophobicContact CE1-CG 4.37Å; Y352-L392 WeakPolarHBondContact OH-CB 3.29Å; L379-L392 PolarHBondContact O-N 2.88Å; A381-L392 HydrophobicContact CB-CD1 3.33Å; A381-L392 HydrophobicContact CB-CG 3.75Å; F383-L392 HydrophobicContact CE2-CD2 4.11Å; F383-L392 HydrophobicContact CZ-CD2 4.05Å; R390-L392 PolarHBondContact O-N 3.32Å; L392-R435 HydrophobicContact CD2-CB 3.48Å; L392-R435 VanDerWaalsContact CD2-CB 3.48Å; L392-A439 HydrophobicContact CD1-CB 3.88Å |
| 393 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.1 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 110 | A348 Y352 D378 L379 T429 | A348-V393 HydrophobicContact CB-CG1 4.1Å; A348-V393 HydrophobicContact CB-CG2 4.19Å; Y352-V393 HydrophobicContact CD2-CG2 4.32Å; Y352-V393 HydrophobicContact CE2-CG2 3.32Å; D378-V393 CarbonylContact C-O 3.55Å; D378-V393 WeakPolarHBondContact CA-O 3.21Å; D378-V393 WeakPolarHBondContact CB-O 3.35Å; L379-V393 HydrophobicContact CB-CB 3.75Å; L379-V393 HydrophobicContact CB-CG2 4.04Å; L379-V393 PolarHBondContact N-O 2.72Å; L379-V393 PolarHBondContact O-N 3.36Å; V393-T429 WeakPolarHBondContact CG1-O 3.11Å; V393-T429 WeakPolarHBondContact CG2-O 3.4Å |
| 394 | S | 98.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.8 | 159.2 | -77.7 | 0 | 0 | 0 | 0 | 108.6 | K376 D378 E391 S428 T429 | K376-S394 WeakPolarHBondContact CE-OG 3.35Å; K376-S394 PolarHBondContact NZ-OG 3.16Å; D378-S394 VanDerWaalsContact OD1-CA 3.3Å; D378-S394 WeakPolarHBondContact OD1-CA 3.47Å; D378-S394 PolarHBondContact OD1-OG 3.26Å; E391-S394 PolarHBondContact OE1-OG 2.67Å; S394-S428 VanDerWaalsContact O-CA 3.29Å; S394-S428 WeakPolarHBondContact O-CA 3.35Å; S394-T429 PolarHBondContact O-N 3.04Å |
| 395 | C | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.4 | 174 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | F341 I345 K376 L377 | F341-C395 VanDerWaalsContact CE2-O 3.31Å; F341-C395 WeakPolarHBondContact CE2-O 3.41Å; I345-C395 HydrophobicContact CB-CB 4.37Å; I345-C395 HydrophobicContact CD1-CB 4.02Å; K376-C395 CarbonylContact C-O 3.5Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.18Å; L377-C395 PolarHBondContact N-O 3.16Å; L377-C395 WeakPolarHBondContact O-CB 3.33Å; L377-C395 PolarHBondContact O-N 3.39Å |
| 396 | S | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 135.3 | -174.2 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | K375 L426 N427 | K375-S396 WeakPolarHBondContact O-CA 3.32Å; S396-L426 WeakPolarHBondContact O-CA 3.5Å; S396-N427 WeakPolarHBondContact CB-OD1 3.34Å; S396-N427 PolarHBondContact N-O 3.21Å; S396-N427 PolarHBondContact O-N 3.2Å; S396-N427 VanDerWaalsContact O-N 3.1Å |
| 397 | N | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.2 | 163.1 | -172.7 | -11.3 | 0 | 0 | 0 | 108.7 | S337 W338 F341 A374 K375 T399 L426 | S337-N397 PolarHBondContact OG-ND2 2.82Å; W338-N397 HydrophobicContact CE3-CB 4.27Å; W338-N397 VanDerWaalsContact CE3-ND2 3.34Å; W338-N397 HydrophobicContact CH2-CB 3.93Å; W338-N397 HydrophobicContact CZ3-CB 3.69Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.45Å; F341-N397 HydrophobicContact CB-CB 4.41Å; F341-N397 HydrophobicContact CD2-CB 3.65Å; F341-N397 HydrophobicContact CE2-CB 4.18Å; F341-N397 HydrophobicContact CG-CB 4.23Å; A374-N397 PolarHBondContact N-O 3.09Å; K375-N397 PolarHBondContact O-N 2.87Å; K375-N397 VanDerWaalsContact O-N 3.13Å; N397-T399 PolarHBondContact OD1-N 2.79Å; N397-L426 HydrophobicContact CB-CD2 3.82Å; N397-L426 HydrophobicContact CB-CG 4.25Å |
| 398 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -97.9 | 3.4 | -178.7 | -62 | 0 | 0 | 0 | 0 | 113 | N138 A372 D400 Y401 Q402 M425 N427 | N138-C398 PolarHBondContact ND2-O 3.17Å; A372-C398 HydrophobicContact CB-CB 4.4Å; A372-C398 WeakPolarHBondContact O-CA 3.04Å; C398-D400 PolarHBondContact O-N 3.24Å; C398-Y401 WeakPolarHBondContact O-CB 3.44Å; C398-Y401 PolarHBondContact O-N 3.2Å; C398-Q402 HydrophobicContact CB-CG 4.15Å; C398-M425 WeakPolarHBondContact CA-O 3.48Å; C398-M425 WeakPolarHBondContact CB-O 3.24Å; C398-M425 PolarHBondContact N-O 3.34Å; C398-N427 PolarHBondContact SG-ND2 3.46Å | ||
| 399 | T | 98.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | -135.2 | -174.6 | 66 | 0 | 0 | 0 | 0 | 110.9 | N138 W338 A374 N397 Y401 H424 M425 | N138-T399 PolarHBondContact ND2-OG1 3.37Å; N138-T399 PolarHBondContact OD1-OG1 3.32Å; W338-T399 HydrophobicContact CZ2-CG2 4.25Å; A374-T399 HydrophobicContact CB-CG2 4.03Å; N397-T399 PolarHBondContact OD1-N 2.79Å; T399-Y401 VanDerWaalsContact C-N 3.34Å; T399-H424 CarbonylContact O-C 3.56Å; T399-H424 VanDerWaalsContact O-CA 3.29Å; T399-H424 WeakPolarHBondContact O-CA 3.33Å; T399-M425 PolarHBondContact O-N 3.48Å |
| 400 | D | 97.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 15% | 0.15 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0 | 177.2 | 65.2 | -29.1 | 0 | 0 | 0 | 114.2 | C398 Q402 A403 R404 H424 | C398-D400 PolarHBondContact O-N 3.24Å; D400-Q402 VanDerWaalsContact C-N 3.35Å; D400-Q402 PolarHBondContact O-N 3.09Å; D400-A403 PolarHBondContact O-N 2.97Å; D400-R404 VanDerWaalsContact O-CB 3.25Å; D400-R404 WeakPolarHBondContact O-CB 3.23Å; D400-R404 PolarHBondContact O-N 3.1Å; D400-R404 IonicContact OD2-CZ 2.74Å; D400-R404 IonicContact OD2-NE 3.2Å; D400-R404 PolarHBondContact OD2-NE 3.44Å; D400-R404 IonicContact OD2-NH2 3.21Å; D400-R404 PolarHBondContact OD2-NH2 3.27Å; D400-H424 PolarHBondContact N-CD2 3.07Å |
| 401 | Y | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | -171 | -168.1 | -95.6 | 0 | 0 | 0 | 113.2 | M1 V2 L3 I136 N138 N371 A372 C398 T399 | M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.21Å; M1-Y401 HydrophobicContact CB-CG 4.49Å; M1-Y401 HydrophobicContact CG-CD1 4.41Å; M1-Y401 HydrophobicContact CG-CE1 4.44Å; M1-Y401 PolarHBondContact O-OH 2.96Å; V2-Y401 PolarHBondContact N-O 3.02Å; L3-Y401 HydrophobicContact CD2-CD2 4.15Å; L3-Y401 HydrophobicContact CD2-CE2 4.49Å; L3-Y401 HydrophobicContact CG-CD2 4.22Å; L3-Y401 HydrophobicContact CG-CE2 4.09Å; I136-Y401 PolarHBondContact O-OH 3.39Å; N138-Y401 HydrophobicContact CB-CD2 3.76Å; N138-Y401 HydrophobicContact CB-CE2 4.29Å; N138-Y401 HydrophobicContact CB-CG 4.11Å; N371-Y401 HydrophobicContact CB-CE1 4.32Å; A372-Y401 VanDerWaalsContact CA-CD1 3.48Å; A372-Y401 HydrophobicContact CB-CD1 3.84Å; A372-Y401 HydrophobicContact CB-CE1 4.22Å; C398-Y401 WeakPolarHBondContact O-CB 3.44Å; C398-Y401 PolarHBondContact O-N 3.2Å; T399-Y401 VanDerWaalsContact C-N 3.34Å |
| 402 | Q | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76.6 | -48.7 | 174.1 | -68.6 | 179.3 | -55 | 0 | 0 | 111.2 | M1 E273 A372 C398 D400 R404 R405 L406 M425 | M1-Q402 HydrophobicContact CG-CG 4.13Å; M1-Q402 HydrophobicContact SD-CG 3.65Å; E273-Q402 PolarHBondContact OE1-NE2 3.49Å; A372-Q402 HydrophobicContact CB-CG 4.5Å; C398-Q402 HydrophobicContact CB-CG 4.15Å; D400-Q402 VanDerWaalsContact C-N 3.35Å; D400-Q402 PolarHBondContact O-N 3.09Å; Q402-R404 VanDerWaalsContact C-N 3.27Å; Q402-R404 PolarHBondContact O-N 3.25Å; Q402-R405 PolarHBondContact O-N 2.99Å; Q402-L406 WeakPolarHBondContact O-CB 3.21Å; Q402-L406 PolarHBondContact O-N 3.29Å; Q402-M425 HydrophobicContact CB-CB 4.45Å; Q402-M425 HydrophobicContact CB-SD 3.67Å |
| 403 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57 | -38.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D400 L406 K407 V408 V423 M425 | D400-A403 PolarHBondContact O-N 2.97Å; A403-L406 CarbonylContact O-C 3.6Å; A403-L406 PolarHBondContact O-N 3.18Å; A403-K407 CarbonylContact O-C 3.5Å; A403-K407 WeakPolarHBondContact O-CA 3.29Å; A403-K407 PolarHBondContact O-N 3.13Å; A403-V408 HydrophobicContact CB-CB 4.2Å; A403-V408 PolarHBondContact O-N 3.08Å; A403-V423 HydrophobicContact CB-CG2 3.93Å; A403-V423 WeakPolarHBondContact CB-O 3.14Å; A403-M425 HydrophobicContact CB-CE 4.01Å; A403-M425 HydrophobicContact CB-CG 4.26Å; A403-M425 HydrophobicContact CB-SD 4.01Å |
| 404 | R | 94.9 | Very high | 93.2 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 14% | 0.143 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 178.8 | -171.8 | 173.7 | -63 | -85.4 | 2 | 113 | D4 D400 Q402 K407 Y422 | D4-R404 IonicContact OD1-CZ 3.32Å; D4-R404 IonicContact OD1-NH1 3Å; D4-R404 PolarHBondContact OD1-NH1 3.27Å; D4-R404 IonicContact OD2-CZ 3.46Å; D4-R404 IonicContact OD2-NH1 2.7Å; D4-R404 PolarHBondContact OD2-NH1 3.48Å; D4-R404 IonicContact OD2-NH2 3.18Å; D4-R404 PolarHBondContact OD2-NH2 3.26Å; D400-R404 VanDerWaalsContact O-CB 3.25Å; D400-R404 WeakPolarHBondContact O-CB 3.23Å; D400-R404 PolarHBondContact O-N 3.1Å; D400-R404 IonicContact OD2-CZ 2.74Å; D400-R404 IonicContact OD2-NE 3.2Å; D400-R404 PolarHBondContact OD2-NE 3.44Å; D400-R404 IonicContact OD2-NH2 3.21Å; D400-R404 PolarHBondContact OD2-NH2 3.27Å; Q402-R404 VanDerWaalsContact C-N 3.27Å; Q402-R404 PolarHBondContact O-N 3.25Å; R404-K407 PolarHBondContact O-N 2.85Å; R404-Y422 HydrophobicContact CB-CD1 4.47Å; R404-Y422 HydrophobicContact CB-CD2 4.44Å; R404-Y422 HydrophobicContact CB-CG 4.38Å; R404-Y422 HydrophobicContact CG-CD2 4.4Å; R404-Y422 HydrophobicContact CG-CE2 4.17Å |
| 405 | R | 92.5 | Very high | 91.7 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 177.6 | -179.2 | 67.6 | 174.1 | 133.9 | 1.8 | 111.4 | E236 Q402 K407 | E236-R405 HydrophobicContact CB-CG 3.89Å; E236-R405 HydrophobicContact CG-CG 4.15Å; E236-R405 WeakPolarHBondContact O-CG 3.41Å; Q402-R405 PolarHBondContact O-N 2.99Å; R405-K407 PolarHBondContact O-N 2.93Å |
| 406 | L | 95.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.6 | -7.5 | 178.2 | -73.1 | 166 | 0 | 0 | 0 | 113.5 | E236 V237 A277 A278 R281 N282 Q402 A403 V408 M425 | E236-L406 HydrophobicContact CB-CD2 3.93Å; V237-L406 HydrophobicContact CG1-CD1 3.91Å; V237-L406 HydrophobicContact CG1-CD2 3.82Å; V237-L406 HydrophobicContact CG1-CG 4.19Å; A277-L406 HydrophobicContact CB-CD1 3.72Å; A277-L406 VanDerWaalsContact O-CD1 3.32Å; A277-L406 WeakPolarHBondContact O-CD1 3.36Å; A278-L406 HydrophobicContact CB-CD2 4.34Å; R281-L406 CarbonylContact C-O 3.49Å; R281-L406 WeakPolarHBondContact CA-O 3.23Å; R281-L406 HydrophobicContact CB-CD2 4.16Å; R281-L406 HydrophobicContact CG-CD2 3.99Å; R281-L406 WeakPolarHBondContact CG-O 3.28Å; N282-L406 PolarHBondContact N-O 2.53Å; Q402-L406 WeakPolarHBondContact O-CB 3.21Å; Q402-L406 PolarHBondContact O-N 3.29Å; A403-L406 CarbonylContact O-C 3.6Å; A403-L406 PolarHBondContact O-N 3.18Å; L406-V408 HydrophobicContact CB-CG2 3.7Å; L406-V408 PolarHBondContact O-N 2.95Å; L406-M425 HydrophobicContact CD1-CE 4.34Å; L406-M425 HydrophobicContact CD1-SD 4.26Å |
| 407 | K | 95.3 | Very high | 87.9 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 40.9 | -177.5 | -63.8 | 173.2 | -176.3 | 176.6 | 0 | 113.8 | N282 A403 R404 R405 R409 | N282-K407 CarbonylContact C-O 3.58Å; N282-K407 WeakPolarHBondContact CA-O 3.36Å; N282-K407 WeakPolarHBondContact OD1-CD 3.2Å; A403-K407 CarbonylContact O-C 3.5Å; A403-K407 WeakPolarHBondContact O-CA 3.29Å; A403-K407 PolarHBondContact O-N 3.13Å; R404-K407 PolarHBondContact O-N 2.85Å; R405-K407 PolarHBondContact O-N 2.93Å; K407-R409 PolarHBondContact O-NH1 2.86Å |
| 408 | V | 97.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -91.9 | 100.7 | 177.2 | -167.2 | 0 | 0 | 0 | 0 | 109.9 | H280 I285 L329 A403 L406 Y422 V423 M425 | H280-V408 HydrophobicContact CB-CG1 3.87Å; H280-V408 HydrophobicContact CB-CG2 4.13Å; H280-V408 WeakPolarHBondContact O-CG2 3.46Å; I285-V408 HydrophobicContact CD1-CG1 3.44Å; I285-V408 VanDerWaalsContact CD1-CG1 3.44Å; I285-V408 HydrophobicContact CG1-CG1 4.06Å; L329-V408 HydrophobicContact CD2-CG1 4.09Å; A403-V408 HydrophobicContact CB-CB 4.2Å; A403-V408 PolarHBondContact O-N 3.08Å; L406-V408 HydrophobicContact CB-CG2 3.7Å; L406-V408 PolarHBondContact O-N 2.95Å; V408-Y422 WeakPolarHBondContact O-CD1 3.4Å; V408-V423 HydrophobicContact CB-CG2 4.07Å; V408-V423 HydrophobicContact CG1-CG2 3.64Å; V408-V423 PolarHBondContact O-N 3.45Å; V408-M425 HydrophobicContact CB-CE 3.69Å; V408-M425 HydrophobicContact CG1-CE 3.94Å; V408-M425 HydrophobicContact CG2-CE 3.44Å; V408-M425 VanDerWaalsContact CG2-CE 3.44Å | ||
| 409 | R | 96.3 | Very high | 85.3 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 15% | 0.151 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 149.3 | -165.7 | -61.6 | 169.9 | -169.1 | 93.4 | -6.7 | 111.4 | E283 W284 I285 K407 V420 Y422 | E283-R409 PolarHBondContact O-N 3.03Å; W284-R409 HydrophobicContact CD2-CB 3.74Å; W284-R409 HydrophobicContact CD2-CG 4.42Å; W284-R409 HydrophobicContact CE3-CB 3.51Å; W284-R409 HydrophobicContact CE3-CG 4.46Å; W284-R409 HydrophobicContact CG-CB 4.33Å; W284-R409 HydrophobicContact CH2-CB 4.22Å; W284-R409 HydrophobicContact CH2-CG 4.45Å; W284-R409 HydrophobicContact CZ2-CB 4.43Å; W284-R409 HydrophobicContact CZ2-CG 4.43Å; W284-R409 HydrophobicContact CZ3-CB 3.77Å; W284-R409 HydrophobicContact CZ3-CG 4.48Å; I285-R409 PolarHBondContact N-O 3.26Å; K407-R409 PolarHBondContact O-NH1 2.86Å; R409-V420 HydrophobicContact CB-CG1 4.13Å; R409-V420 HydrophobicContact CG-CG1 3.6Å; R409-Y422 HydrophobicContact CG-CD1 3.96Å; R409-Y422 HydrophobicContact CG-CE1 3.69Å |
| 410 | Y | 96 | Very high | 84.8 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 14% | 0.137 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131 | 174.8 | 174.8 | -96.6 | 0 | 0 | 0 | 110.4 | E287 L290 P332 H333 S421 V423 | E287-Y410 HydrophobicContact CG-CE1 4.17Å; E287-Y410 HydrophobicContact CG-CE2 4.03Å; E287-Y410 WeakPolarHBondContact CG-OH 3.48Å; L290-Y410 HydrophobicContact CD1-CD2 3.53Å; L290-Y410 HydrophobicContact CD1-CE2 3.66Å; P332-Y410 VanDerWaalsContact CD-CD2 3.42Å; P332-Y410 HydrophobicContact CG-CD1 4.27Å; P332-Y410 HydrophobicContact CG-CD2 4.23Å; P332-Y410 HydrophobicContact CG-CG 3.99Å; H333-Y410 AromaticContact CD2-CE1 3.52Å; H333-Y410 AromaticContact CD2-CZ 3.71Å; H333-Y410 AromaticContact NE2-CD1 3.85Å; H333-Y410 AromaticContact NE2-CE1 3.46Å; H333-Y410 WeakPolarHBondContact NE2-CE1 3.24Å; Y410-S421 PolarHBondContact N-O 3.45Å; Y410-V423 HydrophobicContact CD2-CG1 4.41Å |
| 411 | G | 90.8 | Very high | 84.5 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 99.9 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W284 I285 | W284-G411 WeakPolarHBondContact CB-O 3.36Å; I285-G411 PolarHBondContact O-N 2.71Å |
| 412 | K | 75.6 | Confident | 84.5 | Confident | 175 Ų | 175 | 72.2 Ų | 72.2 | 76% | 0.761 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -83.8 | -32 | -173.8 | -68.8 | -174.8 | 176.9 | -179.3 | 0 | 114.3 | ||
| 413 | T | 73.9 | Confident | 84.6 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -159 | 167 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | K415 | T413-K415 PolarHBondContact O-N 2.88Š|
| 414 | K | 68.6 | Low | 84.6 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | trans | -56.3 | 123.2 | 167.3 | -68.9 | -172.9 | 177.7 | -172.8 | 0 | 109.2 | W284 V420 | W284-K414 HydrophobicContact CH2-CB 4.2Å; W284-K414 HydrophobicContact CH2-CG 3.44Å; W284-K414 VanDerWaalsContact CH2-CG 3.44Å; W284-K414 VanDerWaalsContact CH2-N 3.33Å; W284-K414 HydrophobicContact CZ2-CG 3.61Å; K414-V420 HydrophobicContact CD-CG2 4.24Å; K414-V420 HydrophobicContact CG-CG2 4.03Å | ||
| 415 | K | 67.9 | Low | 84.8 | Confident | 165 Ų | 165 | 71.6 Ų | 71.6 | 72% | 0.717 | 36% | 0.355 | S | S | * | . | trans | -61.3 | 141.6 | 162.7 | -66.3 | -179.3 | -178.7 | 174.1 | 0 | 107.5 | T413 D417 G418 | T413-K415 PolarHBondContact O-N 2.88Å; K415-D417 PolarHBondContact O-N 3Å; K415-G418 PolarHBondContact O-N 3.37Å | ||
| 416 | L | 60.4 | Low | 85.1 | Confident | 177 Ų | 177 | 68.1 Ų | 68.1 | 93% | 0.927 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -34.9 | -168 | -83.9 | 146.3 | 0 | 0 | 0 | 114.3 | ||
| 417 | D | 56.1 | Low | 85.2 | Confident | 168 Ų | 168 | 68.5 Ų | 68.5 | 90% | 0.898 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | 17.5 | 177.8 | -58.9 | -44.1 | 0 | 0 | 0 | 112.9 | K415 | K415-D417 PolarHBondContact O-N 3Š|
| 418 | G | 66.1 | Low | 85.4 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | trans | -93.4 | 140.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K415 | K415-G418 PolarHBondContact O-N 3.37Š| ||
| 419 | E | 77.7 | Confident | 85.5 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | trans | -56.1 | 141.5 | 162.7 | -159.2 | 174.8 | -168.8 | 0 | 0 | 110 | S421 | E419-S421 PolarHBondContact O-N 2.95Š| ||
| 420 | V | 87 | Confident | 85.6 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | trans | -81.9 | 109.2 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | W284 R409 K414 Y422 | W284-V420 HydrophobicContact CH2-CG1 3.99Å; W284-V420 HydrophobicContact CH2-CG2 4.32Å; W284-V420 HydrophobicContact CZ3-CG1 4.43Å; R409-V420 HydrophobicContact CB-CG1 4.13Å; R409-V420 HydrophobicContact CG-CG1 3.6Å; K414-V420 HydrophobicContact CD-CG2 4.24Å; K414-V420 HydrophobicContact CG-CG2 4.03Å; V420-Y422 HydrophobicContact CB-CE2 4.39Å; V420-Y422 HydrophobicContact CG1-CE1 4.42Å; V420-Y422 HydrophobicContact CG1-CE2 4.08Å; V420-Y422 WeakPolarHBondContact O-CD2 3.31Å; V420-Y422 VanDerWaalsContact O-CE2 3.27Å; V420-Y422 WeakPolarHBondContact O-CE2 3.33Å | ||
| 421 | S | 91.9 | Very high | 85.7 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 33% | 0.329 | 31% | 0.314 | S | S | . | . | trans | -75.5 | 145 | 169.8 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | Y410 E419 | Y410-S421 PolarHBondContact N-O 3.45Å; E419-S421 PolarHBondContact O-N 2.95Å | ||
| 422 | Y | 96.3 | Very high | 86.1 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 14% | 0.137 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 150.2 | 175.5 | -64.9 | -91.9 | 0 | 0 | 0 | 109.1 | P332 R404 V408 R409 V420 | P332-Y422 WeakPolarHBondContact CB-O 3.45Å; P332-Y422 WeakPolarHBondContact CG-O 3.41Å; R404-Y422 HydrophobicContact CB-CD1 4.47Å; R404-Y422 HydrophobicContact CB-CD2 4.44Å; R404-Y422 HydrophobicContact CB-CG 4.38Å; R404-Y422 HydrophobicContact CG-CD2 4.4Å; R404-Y422 HydrophobicContact CG-CE2 4.17Å; V408-Y422 WeakPolarHBondContact O-CD1 3.4Å; R409-Y422 HydrophobicContact CG-CD1 3.96Å; R409-Y422 HydrophobicContact CG-CE1 3.69Å; V420-Y422 HydrophobicContact CB-CE2 4.39Å; V420-Y422 HydrophobicContact CG1-CE1 4.42Å; V420-Y422 HydrophobicContact CG1-CE2 4.08Å; V420-Y422 WeakPolarHBondContact O-CD2 3.31Å; V420-Y422 VanDerWaalsContact O-CE2 3.27Å; V420-Y422 WeakPolarHBondContact O-CE2 3.33Å |
| 423 | V | 98.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -65.5 | 158 | 174.3 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | I285 L290 L329 A403 V408 Y410 M425 | I285-V423 HydrophobicContact CB-CG1 4.22Å; I285-V423 HydrophobicContact CD1-CG1 4.27Å; L290-V423 HydrophobicContact CD1-CG1 4.1Å; L290-V423 HydrophobicContact CD2-CG1 4.31Å; L329-V423 HydrophobicContact CB-CG2 4.5Å; L329-V423 HydrophobicContact CD2-CG2 4.19Å; A403-V423 HydrophobicContact CB-CG2 3.93Å; A403-V423 WeakPolarHBondContact CB-O 3.14Å; V408-V423 HydrophobicContact CB-CG2 4.07Å; V408-V423 HydrophobicContact CG1-CG2 3.64Å; V408-V423 PolarHBondContact O-N 3.45Å; Y410-V423 HydrophobicContact CD2-CG1 4.41Å; V423-M425 HydrophobicContact CG2-CE 4.23Å; V423-M425 HydrophobicContact CG2-CG 4.41Å | ||
| 424 | H | 98.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.7 | 167.2 | -76.9 | -169.8 | 0 | 0 | 0 | 110.4 | L329 C330 S337 T399 D400 | L329-H424 WeakPolarHBondContact CA-O 3.13Å; C330-H424 PolarHBondContact N-O 3.11Å; C330-H424 PolarHBondContact O-N 3.04Å; S337-H424 VanDerWaalsContact CB-ND1 3.29Å; S337-H424 WeakPolarHBondContact CB-ND1 3.32Å; S337-H424 PolarHBondContact OG-ND1 2.89Å; T399-H424 CarbonylContact O-C 3.56Å; T399-H424 VanDerWaalsContact O-CA 3.29Å; T399-H424 WeakPolarHBondContact O-CA 3.33Å; D400-H424 PolarHBondContact N-CD2 3.07Å |
| 425 | M | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.9 | 178.6 | -69 | 178.1 | 169.9 | 0 | 0 | 110.7 | F327 V328 L329 C398 T399 Q402 A403 L406 V408 V423 | F327-M425 HydrophobicContact CE1-CB 4.45Å; F327-M425 HydrophobicContact CE1-CG 4.31Å; F327-M425 HydrophobicContact CZ-CB 4.02Å; F327-M425 HydrophobicContact CZ-CG 4.14Å; F327-M425 HydrophobicContact CZ-SD 4.09Å; V328-M425 WeakPolarHBondContact O-CA 3.37Å; L329-M425 HydrophobicContact CD2-CE 3.83Å; L329-M425 HydrophobicContact CG-CE 4.42Å; L329-M425 HydrophobicContact CG-CG 4.39Å; C398-M425 WeakPolarHBondContact CA-O 3.48Å; C398-M425 WeakPolarHBondContact CB-O 3.24Å; C398-M425 PolarHBondContact N-O 3.34Å; T399-M425 PolarHBondContact O-N 3.48Å; Q402-M425 HydrophobicContact CB-CB 4.45Å; Q402-M425 HydrophobicContact CB-SD 3.67Å; A403-M425 HydrophobicContact CB-CE 4.01Å; A403-M425 HydrophobicContact CB-CG 4.26Å; A403-M425 HydrophobicContact CB-SD 4.01Å; L406-M425 HydrophobicContact CD1-CE 4.34Å; L406-M425 HydrophobicContact CD1-SD 4.26Å; V408-M425 HydrophobicContact CB-CE 3.69Å; V408-M425 HydrophobicContact CG1-CE 3.94Å; V408-M425 HydrophobicContact CG2-CE 3.44Å; V408-M425 VanDerWaalsContact CG2-CE 3.44Å; V423-M425 HydrophobicContact CG2-CE 4.23Å; V423-M425 HydrophobicContact CG2-CG 4.41Å |
| 426 | L | 98.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.9 | 178.3 | -61.2 | 94.3 | 0 | 0 | 0 | 110.3 | F327 V328 C330 S337 M340 F341 M344 S396 N397 | F327-L426 WeakPolarHBondContact CA-O 3.28Å; V328-L426 PolarHBondContact N-O 3.47Å; V328-L426 PolarHBondContact O-N 3.29Å; C330-L426 WeakPolarHBondContact SG-CD1 3.46Å; S337-L426 VanDerWaalsContact O-CD2 3.24Å; S337-L426 WeakPolarHBondContact O-CD2 3.33Å; M340-L426 HydrophobicContact CB-CD2 4.48Å; M340-L426 HydrophobicContact CG-CD1 4.44Å; F341-L426 HydrophobicContact CB-CD2 3.72Å; F341-L426 HydrophobicContact CD2-CD2 4.2Å; F341-L426 HydrophobicContact CG-CD2 4.48Å; M344-L426 HydrophobicContact CE-CB 3.94Å; M344-L426 HydrophobicContact SD-CB 3.56Å; M344-L426 VanDerWaalsContact SD-CB 3.56Å; M344-L426 HydrophobicContact SD-CD2 4.21Å; M344-L426 HydrophobicContact SD-CG 4.45Å; S396-L426 WeakPolarHBondContact O-CA 3.5Å; N397-L426 HydrophobicContact CB-CD2 3.82Å; N397-L426 HydrophobicContact CB-CG 4.25Å |
| 427 | N | 98.8 | Very high | 93.1 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.7 | 175.3 | 60.5 | 68.5 | 0 | 0 | 0 | 110.7 | E273 Q326 F327 M344 S396 C398 | E273-N427 HydrophobicContact CB-CB 4.45Å; E273-N427 HydrophobicContact CG-CB 3.84Å; E273-N427 PolarHBondContact OE1-ND2 2.85Å; Q326-N427 CarbonylContact O-C 3.52Å; Q326-N427 WeakPolarHBondContact O-CA 3.43Å; F327-N427 HydrophobicContact CD2-CB 4.05Å; F327-N427 HydrophobicContact CE2-CB 4.46Å; M344-N427 VanDerWaalsContact CE-C 3.42Å; S396-N427 WeakPolarHBondContact CB-OD1 3.34Å; S396-N427 PolarHBondContact N-O 3.21Å; S396-N427 PolarHBondContact O-N 3.2Å; S396-N427 VanDerWaalsContact O-N 3.1Å; C398-N427 PolarHBondContact SG-ND2 3.46Å |
| 428 | S | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 132.1 | 173.7 | 176 | 0 | 0 | 0 | 0 | 111 | Q326 S394 M430 | Q326-S428 WeakPolarHBondContact CB-O 3.46Å; Q326-S428 PolarHBondContact N-O 3.03Å; Q326-S428 PolarHBondContact NE2-OG 3.4Å; Q326-S428 PolarHBondContact O-N 3.07Å; S394-S428 VanDerWaalsContact O-CA 3.29Å; S394-S428 WeakPolarHBondContact O-CA 3.35Å; S428-M430 PolarHBondContact O-N 2.92Å |
| 429 | T | 98.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 7% | 0.074 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.9 | 170.8 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | K323 E325 V393 S394 A432 | K323-T429 HydrophobicContact CD-CG2 3.83Å; K323-T429 HydrophobicContact CG-CG2 4.05Å; E325-T429 VanDerWaalsContact OE2-CA 3.31Å; E325-T429 WeakPolarHBondContact OE2-CA 3.49Å; E325-T429 PolarHBondContact OE2-OG1 2.99Å; V393-T429 WeakPolarHBondContact CG1-O 3.11Å; V393-T429 WeakPolarHBondContact CG2-O 3.4Å; S394-T429 PolarHBondContact O-N 3.04Å; T429-A432 HydrophobicContact CG2-CB 4.15Å |
| 430 | M | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -44.3 | 168.8 | -175.4 | 65.9 | 166.1 | 0 | 0 | 110.6 | A211 M214 L215 V324 Q326 F351 S428 | A211-M430 HydrophobicContact CB-CG 3.87Å; M214-M430 HydrophobicContact CB-CE 3.97Å; L215-M430 HydrophobicContact CD1-CB 3.99Å; L215-M430 HydrophobicContact CD1-CG 3.9Å; L215-M430 HydrophobicContact CD2-CE 4.01Å; L215-M430 HydrophobicContact CD2-CG 4.39Å; L215-M430 HydrophobicContact CD2-SD 3.98Å; L215-M430 HydrophobicContact CG-CE 4.06Å; L215-M430 HydrophobicContact CG-CG 4.13Å; L215-M430 HydrophobicContact CG-SD 4.28Å; V324-M430 HydrophobicContact CB-CB 4.36Å; V324-M430 HydrophobicContact CG1-CB 4.13Å; V324-M430 HydrophobicContact CG1-CG 4.49Å; V324-M430 WeakPolarHBondContact O-CA 3.41Å; V324-M430 WeakPolarHBondContact O-CB 3.49Å; V324-M430 PolarHBondContact O-N 3.2Å; Q326-M430 HydrophobicContact CG-CB 4.27Å; F351-M430 HydrophobicContact CB-CE 3.49Å; F351-M430 VanDerWaalsContact CB-CE 3.49Å; F351-M430 HydrophobicContact CB-SD 4Å; F351-M430 WeakPolarHBondContact CD1-O 3.43Å; F351-M430 HydrophobicContact CD2-CE 3.99Å; F351-M430 HydrophobicContact CG-CE 3.91Å; F351-M430 HydrophobicContact CG-SD 4.38Å; S428-M430 PolarHBondContact O-N 2.92Å |
| 431 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 109.6 | -177.1 | 175 | 0 | 0 | 0 | 0 | 111 | A211 K323 V324 F351 | A211-C431 HydrophobicContact CB-CB 4.01Å; K323-C431 WeakPolarHBondContact CA-O 3.41Å; V324-C431 HydrophobicContact CB-CB 4.37Å; V324-C431 PolarHBondContact N-O 3.08Å; V324-C431 PolarHBondContact O-N 2.82Å; V324-C431 VanDerWaalsContact O-N 3.11Å; F351-C431 HydrophobicContact CE1-CB 3.74Å; F351-C431 HydrophobicContact CZ-CB 3.81Å |
| 432 | A | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 6.1 Ų | 6.1 | 7% | 0.074 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 103.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T429 T434 R435 V436 | T429-A432 HydrophobicContact CG2-CB 4.15Å; A432-T434 PolarHBondContact O-N 3.25Å; A432-R435 PolarHBondContact O-N 2.99Å; A432-V436 WeakPolarHBondContact O-CG2 3.27Å; A432-V436 PolarHBondContact O-N 3.44Å |
| 433 | T | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | -157.7 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | E204 I207 I208 E322 R435 V436 L437 | E204-T433 HydrophobicContact CG-CG2 4.02Å; E204-T433 WeakPolarHBondContact OE1-CB 3.08Å; E204-T433 PolarHBondContact OE1-OG1 3.38Å; I207-T433 HydrophobicContact CD1-CG2 4.18Å; I207-T433 HydrophobicContact CG1-CG2 4.41Å; I208-T433 HydrophobicContact CD1-CG2 3.91Å; I208-T433 HydrophobicContact CG1-CG2 3.56Å; E322-T433 HydrophobicContact CB-CG2 3.69Å; E322-T433 WeakPolarHBondContact CB-OG1 3.49Å; E322-T433 PolarHBondContact O-N 2.86Å; E322-T433 PolarHBondContact O-OG1 2.98Å; T433-R435 VanDerWaalsContact C-N 3.33Å; T433-R435 PolarHBondContact O-N 3.04Å; T433-V436 PolarHBondContact O-N 3.38Å; T433-V436 VanDerWaalsContact O-N 3.14Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 3.37Å; T433-L437 PolarHBondContact O-N 3.22Å |
| 434 | T | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 1% | 0.012 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | -176.2 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | I315 V318 F321 A432 L437 C438 | I315-T434 HydrophobicContact CB-CG2 4.48Å; I315-T434 WeakPolarHBondContact O-CB 3.22Å; I315-T434 PolarHBondContact O-OG1 2.94Å; V318-T434 HydrophobicContact CG2-CG2 4.37Å; F321-T434 HydrophobicContact CB-CG2 3.93Å; A432-T434 PolarHBondContact O-N 3.25Å; T434-L437 PolarHBondContact O-N 3.49Å; T434-C438 PolarHBondContact O-N 3.01Å; T434-C438 VanDerWaalsContact O-N 3.09Å; T434-C438 PolarHBondContact O-SG 3.13Å |
| 435 | R | 98.5 | Very high | 98.5 | Very high | 30 Ų | 30 | 6.2 Ų | 6.2 | 11% | 0.113 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70 | -38.4 | 176.7 | -62.6 | -168.1 | 176.4 | -178.3 | 7.6 | 112.1 | F316 E391 L392 A432 T433 C438 A439 | F316-R435 HydrophobicContact CD2-CB 4.16Å; F316-R435 HydrophobicContact CD2-CG 3.9Å; F316-R435 HydrophobicContact CE2-CB 4Å; F316-R435 HydrophobicContact CE2-CG 3.82Å; F316-R435 HydrophobicContact CG-CG 4.42Å; F316-R435 HydrophobicContact CZ-CG 4.27Å; F316-R435 WeakPolarHBondContact O-CG 3.31Å; F316-R435 PolarHBondContact O-NE 2.91Å; E391-R435 WeakPolarHBondContact O-CD 3.45Å; E391-R435 PolarHBondContact O-NH1 3.22Å; E391-R435 IonicContact OE2-NH1 3.94Å; E391-R435 PolarHBondContact OE2-NH1 3.33Å; L392-R435 HydrophobicContact CD2-CB 3.48Å; L392-R435 VanDerWaalsContact CD2-CB 3.48Å; A432-R435 PolarHBondContact O-N 2.99Å; T433-R435 VanDerWaalsContact C-N 3.33Å; T433-R435 PolarHBondContact O-N 3.04Å; R435-C438 WeakPolarHBondContact O-CB 3.23Å; R435-C438 PolarHBondContact O-N 3.34Å; R435-A439 PolarHBondContact O-N 3.31Å |
| 436 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111 | I207 Y352 L355 A432 T433 C438 A439 L440 | I207-V436 HydrophobicContact CD1-CB 3.96Å; I207-V436 HydrophobicContact CD1-CG1 3.88Å; I207-V436 HydrophobicContact CG2-CG1 4.34Å; Y352-V436 HydrophobicContact CE1-CG2 3.94Å; Y352-V436 WeakPolarHBondContact OH-CG2 3.38Å; L355-V436 HydrophobicContact CD1-CG1 3.94Å; A432-V436 WeakPolarHBondContact O-CG2 3.27Å; A432-V436 PolarHBondContact O-N 3.44Å; T433-V436 PolarHBondContact O-N 3.38Å; T433-V436 VanDerWaalsContact O-N 3.14Å; V436-C438 VanDerWaalsContact C-N 3.34Å; V436-C438 PolarHBondContact O-N 2.82Å; V436-A439 PolarHBondContact O-N 3.47Å; V436-L440 HydrophobicContact CG1-CD1 4.23Å; V436-L440 HydrophobicContact CG1-CG 4.43Å; V436-L440 WeakPolarHBondContact O-CG 3.24Å; V436-L440 PolarHBondContact O-N 3.37Å |
| 437 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | 172.3 | -67.6 | 175.6 | 0 | 0 | 0 | 110.7 | L196 L200 L203 E204 I207 I315 T433 T434 A439 L440 L441 | L196-L437 HydrophobicContact CD2-CD1 4.06Å; L200-L437 HydrophobicContact CD2-CD2 4.45Å; L203-L437 HydrophobicContact CB-CD2 3.79Å; L203-L437 HydrophobicContact CD2-CD2 3.65Å; L203-L437 HydrophobicContact CG-CD2 3.52Å; E204-L437 HydrophobicContact CB-CD1 4.2Å; I207-L437 HydrophobicContact CD1-CD2 4.03Å; I207-L437 HydrophobicContact CD1-CG 4.1Å; I315-L437 HydrophobicContact CD1-CB 4.35Å; I315-L437 HydrophobicContact CD1-CD1 4.23Å; T433-L437 VanDerWaalsContact O-CG 3.29Å; T433-L437 WeakPolarHBondContact O-CG 3.37Å; T433-L437 PolarHBondContact O-N 3.22Å; T434-L437 PolarHBondContact O-N 3.49Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 3.45Å; L437-L440 PolarHBondContact O-N 2.91Å; L437-L441 VanDerWaalsContact O-CG 3.24Å; L437-L441 WeakPolarHBondContact O-CG 3.33Å; L437-L441 PolarHBondContact O-N 3.35Å |
| 438 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | H170 I315 F316 F383 T434 R435 V436 L441 E442 | H170-C438 HydrophobicContact CB-CB 3.64Å; H170-C438 PolarHBondContact CD2-SG 3.11Å; I315-C438 WeakPolarHBondContact CG1-SG 3.23Å; F316-C438 HydrophobicContact CD2-CB 4.38Å; F383-C438 HydrophobicContact CE1-CB 3.67Å; F383-C438 HydrophobicContact CZ-CB 4.3Å; T434-C438 PolarHBondContact O-N 3.01Å; T434-C438 VanDerWaalsContact O-N 3.09Å; T434-C438 PolarHBondContact O-SG 3.13Å; R435-C438 WeakPolarHBondContact O-CB 3.23Å; R435-C438 PolarHBondContact O-N 3.34Å; V436-C438 VanDerWaalsContact C-N 3.34Å; V436-C438 PolarHBondContact O-N 2.82Å; C438-L441 PolarHBondContact O-N 3.39Å; C438-E442 PolarHBondContact O-N 3.32Å; C438-E442 VanDerWaalsContact O-N 3.11Å |
| 439 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I357 F383 L392 R435 V436 L437 N443 | I357-A439 HydrophobicContact CD1-CB 4.05Å; I357-A439 HydrophobicContact CG2-CB 4.33Å; F383-A439 HydrophobicContact CE1-CB 4.21Å; F383-A439 HydrophobicContact CE2-CB 3.9Å; F383-A439 HydrophobicContact CZ-CB 3.61Å; L392-A439 HydrophobicContact CD1-CB 3.88Å; R435-A439 PolarHBondContact O-N 3.31Å; V436-A439 PolarHBondContact O-N 3.47Å; L437-A439 VanDerWaalsContact C-N 3.3Å; L437-A439 PolarHBondContact O-N 3.45Å; A439-N443 VanDerWaalsContact O-CB 3.31Å; A439-N443 WeakPolarHBondContact O-CB 3.23Å; A439-N443 PolarHBondContact O-N 2.89Å; A439-N443 PolarHBondContact O-ND2 2.89Å |
| 440 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 176 | -75.7 | 174.1 | 0 | 0 | 0 | 111.6 | L203 I207 L355 I357 V436 L437 E442 N443 Y444 P453 L456 | L203-L440 HydrophobicContact CD1-CD1 4.38Å; L203-L440 HydrophobicContact CD2-CD1 4.26Å; L203-L440 HydrophobicContact CG-CD1 4.35Å; I207-L440 HydrophobicContact CG2-CD1 3.79Å; L355-L440 HydrophobicContact CB-CD2 4.46Å; L355-L440 HydrophobicContact CD2-CD2 4.49Å; I357-L440 HydrophobicContact CD1-CD2 3.89Å; I357-L440 HydrophobicContact CD1-CG 4.11Å; I357-L440 HydrophobicContact CG1-CD2 4.23Å; V436-L440 HydrophobicContact CG1-CD1 4.23Å; V436-L440 HydrophobicContact CG1-CG 4.43Å; V436-L440 WeakPolarHBondContact O-CG 3.24Å; V436-L440 PolarHBondContact O-N 3.37Å; L437-L440 PolarHBondContact O-N 2.91Å; L440-E442 PolarHBondContact O-N 3.41Å; L440-N443 PolarHBondContact O-N 2.88Å; L440-Y444 HydrophobicContact CD2-CD2 4.06Å; L440-Y444 HydrophobicContact CD2-CE2 4Å; L440-Y444 VanDerWaalsContact O-CB 3.32Å; L440-Y444 WeakPolarHBondContact O-CB 3.3Å; L440-Y444 PolarHBondContact O-N 2.82Å; L440-P453 HydrophobicContact CD2-CG 3.58Å; L440-L456 HydrophobicContact CD1-CD1 3.91Å |
| 441 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.8 | -52.3 | 178.4 | -68.6 | 175.7 | 0 | 0 | 0 | 110.7 | L173 C174 I177 L200 L437 C438 Q445 I450 | L173-L441 HydrophobicContact CB-CB 4.12Å; L173-L441 HydrophobicContact CB-CD1 4.39Å; L173-L441 HydrophobicContact CD1-CB 3.98Å; L173-L441 WeakPolarHBondContact CD1-O 3.34Å; C174-L441 WeakPolarHBondContact SG-CD1 3.44Å; I177-L441 HydrophobicContact CD1-CD2 3.66Å; L200-L441 HydrophobicContact CD2-CD1 4.28Å; L200-L441 HydrophobicContact CD2-CD2 4.11Å; L200-L441 HydrophobicContact CD2-CG 4.49Å; L437-L441 VanDerWaalsContact O-CG 3.24Å; L437-L441 WeakPolarHBondContact O-CG 3.33Å; L437-L441 PolarHBondContact O-N 3.35Å; C438-L441 PolarHBondContact O-N 3.39Å; L441-Q445 WeakPolarHBondContact O-CB 3.38Å; L441-Q445 PolarHBondContact O-N 2.75Å; L441-I450 HydrophobicContact CD2-CB 4.4Å; L441-I450 HydrophobicContact CD2-CD1 4.12Å; L441-I450 HydrophobicContact CD2-CG1 3.7Å; L441-I450 HydrophobicContact CD2-CG2 4.16Å |
| 442 | E | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | -178.5 | -71.8 | -167.5 | -157 | 0 | 0 | 112.4 | K166 H170 L173 F383 P384 G385 S386 C438 L440 Q445 | K166-E442 WeakPolarHBondContact CD-O 3Å; H170-E442 HydrophobicContact CB-CG 3.98Å; H170-E442 IonicContact CG-OE1 2.66Å; H170-E442 VanDerWaalsContact N-CG 3.34Å; H170-E442 PolarHBondContact N-OE1 2.96Å; H170-E442 IonicContact ND1-OE1 2.8Å; H170-E442 PolarHBondContact ND1-OE1 3.04Å; L173-E442 HydrophobicContact CD1-CG 4.16Å; F383-E442 WeakPolarHBondContact CB-OE2 3.28Å; F383-E442 HydrophobicContact CD1-CG 4.42Å; P384-E442 HydrophobicContact CG-CB 4Å; P384-E442 WeakPolarHBondContact CG-O 3.5Å; G385-E442 VanDerWaalsContact CA-OE2 3.23Å; G385-E442 WeakPolarHBondContact CA-OE2 3.41Å; G385-E442 PolarHBondContact N-OE2 3.09Å; S386-E442 PolarHBondContact N-OE2 2.77Å; S386-E442 PolarHBondContact OG-OE1 2.86Å; C438-E442 PolarHBondContact O-N 3.32Å; C438-E442 VanDerWaalsContact O-N 3.11Å; L440-E442 PolarHBondContact O-N 3.41Å; E442-Q445 WeakPolarHBondContact O-CG 3.43Å; E442-Q445 PolarHBondContact O-NE2 3.36Å |
| 443 | N | 98.4 | Very high | 98 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.3 | -27.6 | -176.5 | -78.9 | -76.2 | 0 | 0 | 0 | 113.7 | K166 P358 W382 A439 L440 | K166-N443 PolarHBondContact NZ-O 2.91Å; P358-N443 VanDerWaalsContact CD-OD1 3.27Å; P358-N443 WeakPolarHBondContact CD-OD1 3.45Å; P358-N443 WeakPolarHBondContact CG-OD1 3.44Å; W382-N443 PolarHBondContact O-ND2 2.89Å; W382-N443 VanDerWaalsContact O-ND2 3.08Å; A439-N443 VanDerWaalsContact O-CB 3.31Å; A439-N443 WeakPolarHBondContact O-CB 3.23Å; A439-N443 PolarHBondContact O-N 2.89Å; A439-N443 PolarHBondContact O-ND2 2.89Å; L440-N443 PolarHBondContact O-N 2.88Å |
| 444 | Y | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -108.7 | 8.3 | -177.2 | -73.9 | -97.5 | 0 | 0 | 0 | 114.7 | L355 L440 E446 R451 P453 | L355-Y444 VanDerWaalsContact O-CE2 3.28Å; L355-Y444 WeakPolarHBondContact O-CE2 3.36Å; L355-Y444 PolarHBondContact O-OH 3.43Å; L440-Y444 HydrophobicContact CD2-CD2 4.06Å; L440-Y444 HydrophobicContact CD2-CE2 4Å; L440-Y444 VanDerWaalsContact O-CB 3.32Å; L440-Y444 WeakPolarHBondContact O-CB 3.3Å; L440-Y444 PolarHBondContact O-N 2.82Å; Y444-E446 PolarHBondContact O-N 3.06Å; Y444-R451 WeakPolarHBondContact CB-O 3.38Å; Y444-R451 HydrophobicContact CD1-CB 4.25Å; Y444-R451 HydrophobicContact CD1-CG 4.42Å; Y444-R451 WeakPolarHBondContact CD1-O 3.15Å; Y444-R451 PolarHBondContact O-N 2.98Å; Y444-P453 HydrophobicContact CD1-CG 4.28Å; Y444-P453 HydrophobicContact CD2-CG 4.12Å; Y444-P453 HydrophobicContact CE1-CB 4.14Å; Y444-P453 HydrophobicContact CE1-CG 3.93Å; Y444-P453 HydrophobicContact CE2-CB 4.47Å; Y444-P453 HydrophobicContact CE2-CG 3.75Å; Y444-P453 HydrophobicContact CG-CG 4.37Å |
| 445 | Q | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -60.5 | 137.3 | 171.2 | 73.7 | -173 | -82.8 | 0 | 0 | 111.4 | K166 Y168 L173 L441 E442 I450 | K166-Q445 HydrophobicContact CB-CG 4.03Å; K166-Q445 VanDerWaalsContact CB-NE2 3.31Å; K166-Q445 HydrophobicContact CD-CG 3.53Å; K166-Q445 HydrophobicContact CG-CG 4.42Å; K166-Q445 PolarHBondContact NZ-O 3.15Å; Y168-Q445 PolarHBondContact O-NE2 3.12Å; L173-Q445 HydrophobicContact CD1-CB 4.1Å; L173-Q445 HydrophobicContact CD2-CB 3.99Å; L441-Q445 WeakPolarHBondContact O-CB 3.38Å; L441-Q445 PolarHBondContact O-N 2.75Å; E442-Q445 WeakPolarHBondContact O-CG 3.43Å; E442-Q445 PolarHBondContact O-NE2 3.36Å; Q445-I450 HydrophobicContact CB-CD1 3.73Å |
| 446 | E | 96.7 | Very high | 98 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 40% | 0.402 | 17% | 0.172 | S | C | . | . | trans | -127.9 | -177.3 | 174 | -64.6 | -174.6 | 176.8 | 0 | 0 | 108.7 | Y444 N448 G449 R451 F470 | Y444-E446 PolarHBondContact O-N 3.06Å; E446-N448 VanDerWaalsContact C-N 3.33Å; E446-N448 PolarHBondContact O-N 3Å; E446-G449 PolarHBondContact N-O 3.35Å; E446-R451 HydrophobicContact CG-CB 4.35Å; E446-R451 WeakPolarHBondContact OE1-CB 3.5Å; E446-R451 WeakPolarHBondContact OE1-CD 3.46Å; E446-R451 IonicContact OE1-CZ 3.42Å; E446-R451 IonicContact OE1-NE 3.49Å; E446-R451 PolarHBondContact OE1-NE 3.22Å; E446-F470 WeakPolarHBondContact O-CE2 3.3Å | ||
| 447 | E | 94.8 | Very high | 97.9 | Very high | 195 Ų | 195 | 40 Ų | 40 | 91% | 0.911 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -63.9 | -37.2 | -176.1 | -173.5 | 176.4 | -177.3 | 0 | 0 | 113 | ||
| 448 | N | 95.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -111.9 | 4 | -172.3 | 64.9 | -17.6 | 0 | 0 | 0 | 114.3 | E446 F470 | E446-N448 VanDerWaalsContact C-N 3.33Å; E446-N448 PolarHBondContact O-N 3Å; N448-F470 VanDerWaalsContact C-CD2 3.41Å; N448-F470 PolarHBondContact O-N 2.83Å |
| 449 | G | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | -157.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E446 I468 F470 | E446-G449 PolarHBondContact N-O 3.35Å; G449-I468 CarbonylContact C-O 3.58Å; G449-I468 WeakPolarHBondContact CA-O 3.4Å; G449-F470 VanDerWaalsContact N-CD2 3.29Å; G449-F470 VanDerWaalsContact N-CE2 3.28Å; G449-F470 WeakPolarHBondContact O-CZ 3.45Å |
| 450 | I | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.8 | 174.9 | -48.5 | -63.7 | 0 | 0 | 0 | 108.4 | L173 I177 L441 Q445 I468 F470 | L173-I450 HydrophobicContact CB-CD1 4.4Å; L173-I450 HydrophobicContact CD1-CD1 4.27Å; L173-I450 HydrophobicContact CD2-CD1 3.85Å; L173-I450 HydrophobicContact CG-CD1 4.4Å; I177-I450 HydrophobicContact CG2-CG1 3.92Å; L441-I450 HydrophobicContact CD2-CB 4.4Å; L441-I450 HydrophobicContact CD2-CD1 4.12Å; L441-I450 HydrophobicContact CD2-CG1 3.7Å; L441-I450 HydrophobicContact CD2-CG2 4.16Å; Q445-I450 HydrophobicContact CB-CD1 3.73Å; I450-I468 HydrophobicContact CB-CB 4.32Å; I450-I468 PolarHBondContact N-O 2.66Å; I450-I468 PolarHBondContact O-N 3.38Å; I450-F470 HydrophobicContact CD1-CE1 3.85Å; I450-F470 HydrophobicContact CD1-CZ 4.02Å; I450-F470 HydrophobicContact CG1-CE1 4.13Å |
| 451 | R | 98.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 51 Ų | 51 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.2 | 175 | 179.1 | 174.3 | 57 | 131.1 | 13 | 110.1 | Y444 E446 L467 | Y444-R451 WeakPolarHBondContact CB-O 3.38Å; Y444-R451 HydrophobicContact CD1-CB 4.25Å; Y444-R451 HydrophobicContact CD1-CG 4.42Å; Y444-R451 WeakPolarHBondContact CD1-O 3.15Å; Y444-R451 PolarHBondContact O-N 2.98Å; E446-R451 HydrophobicContact CG-CB 4.35Å; E446-R451 WeakPolarHBondContact OE1-CB 3.5Å; E446-R451 WeakPolarHBondContact OE1-CD 3.46Å; E446-R451 IonicContact OE1-CZ 3.42Å; E446-R451 IonicContact OE1-NE 3.49Å; E446-R451 PolarHBondContact OE1-NE 3.22Å; R451-L467 HydrophobicContact CB-CD1 4.48Å |
| 452 | V | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 126.1 | 176 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | E454 L456 R457 M460 Y464 E466 I468 | V452-E454 PolarHBondContact O-N 3.49Å; V452-L456 HydrophobicContact CG1-CB 4Å; V452-R457 HydrophobicContact CB-CG 4.47Å; V452-R457 HydrophobicContact CG1-CG 4Å; V452-R457 PolarHBondContact O-NE 2.66Å; V452-M460 HydrophobicContact CG1-CG 3.85Å; V452-M460 HydrophobicContact CG2-CE 4.46Å; V452-Y464 VanDerWaalsContact CG2-O 3.23Å; V452-Y464 WeakPolarHBondContact CG2-O 3.42Å; V452-E466 PolarHBondContact N-O 3.33Å; V452-I468 HydrophobicContact CG2-CD1 4.05Å; V452-I468 HydrophobicContact CG2-CG1 3.92Å |
| 453 | P | 98.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 137.7 | 173.4 | -21.9 | 27.9 | 0 | 0 | 0 | 111.3 | L440 Y444 I455 L456 R457 | L440-P453 HydrophobicContact CD2-CG 3.58Å; Y444-P453 HydrophobicContact CD1-CG 4.28Å; Y444-P453 HydrophobicContact CD2-CG 4.12Å; Y444-P453 HydrophobicContact CE1-CB 4.14Å; Y444-P453 HydrophobicContact CE1-CG 3.93Å; Y444-P453 HydrophobicContact CE2-CB 4.47Å; Y444-P453 HydrophobicContact CE2-CG 3.75Å; Y444-P453 HydrophobicContact CG-CG 4.37Å; P453-I455 HydrophobicContact CB-CG2 4.49Å; P453-I455 PolarHBondContact O-N 3.01Å; P453-I455 VanDerWaalsContact O-N 3.15Å; P453-L456 HydrophobicContact CB-CD1 4.32Å; P453-L456 HydrophobicContact CB-CG 4.33Å; P453-L456 HydrophobicContact CG-CD1 3.92Å; P453-L456 HydrophobicContact CG-CG 4.46Å; P453-L456 PolarHBondContact O-N 2.81Å; P453-R457 WeakPolarHBondContact O-CG 3.37Å; P453-R457 PolarHBondContact O-N 3.32Å |
| 454 | E | 97.8 | Very high | 97.6 | Very high | 158 Ų | 158 | 64.5 Ų | 64.5 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -53.2 | -42.2 | -173.1 | -171.9 | 173.5 | -179.9 | 0 | 0 | 113.1 | V452 L456 R457 | V452-E454 PolarHBondContact O-N 3.49Å; E454-L456 PolarHBondContact O-N 2.9Å; E454-R457 WeakPolarHBondContact O-CB 3.28Å; E454-R457 WeakPolarHBondContact O-CG 3.18Å; E454-R457 PolarHBondContact O-N 2.88Å |
| 455 | I | 98.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 67.8 Ų | 67.8 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -64.3 | -24.2 | -179.5 | -162 | 168.1 | 0 | 0 | 0 | 113.9 | L210 A354 L355 P453 Q458 | L210-I455 HydrophobicContact CD1-CD1 3.71Å; L210-I455 HydrophobicContact CD1-CG1 3.86Å; L210-I455 HydrophobicContact CD2-CD1 4.19Å; L210-I455 HydrophobicContact CD2-CG1 4.28Å; L210-I455 HydrophobicContact CD2-CG2 3.88Å; A354-I455 HydrophobicContact CB-CD1 3.78Å; A354-I455 WeakPolarHBondContact O-CG2 3.35Å; L355-I455 HydrophobicContact CD2-CG2 4.23Å; P453-I455 HydrophobicContact CB-CG2 4.49Å; P453-I455 PolarHBondContact O-N 3.01Å; P453-I455 VanDerWaalsContact O-N 3.15Å; I455-Q458 PolarHBondContact O-NE2 2.98Å |
| 456 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -88 | -18.7 | 179.3 | -64.2 | -178 | 0 | 0 | 0 | 113 | L203 A206 I207 L210 L355 L440 V452 P453 E454 Q458 F459 M460 | L203-L456 HydrophobicContact CD1-CD1 3.76Å; A206-L456 HydrophobicContact CB-CB 4.45Å; A206-L456 HydrophobicContact CB-CD2 4.19Å; I207-L456 HydrophobicContact CG2-CD1 3.76Å; I207-L456 HydrophobicContact CG2-CD2 4Å; L210-L456 HydrophobicContact CB-CD2 4.1Å; L210-L456 HydrophobicContact CD2-CD2 3.67Å; L355-L456 HydrophobicContact CD2-CD1 3.79Å; L355-L456 HydrophobicContact CD2-CD2 3.95Å; L355-L456 HydrophobicContact CD2-CG 3.88Å; L440-L456 HydrophobicContact CD1-CD1 3.91Å; V452-L456 HydrophobicContact CG1-CB 4Å; P453-L456 HydrophobicContact CB-CD1 4.32Å; P453-L456 HydrophobicContact CB-CG 4.33Å; P453-L456 HydrophobicContact CG-CD1 3.92Å; P453-L456 HydrophobicContact CG-CG 4.46Å; P453-L456 PolarHBondContact O-N 2.81Å; E454-L456 PolarHBondContact O-N 2.9Å; L456-Q458 PolarHBondContact O-N 2.8Å; L456-Q458 VanDerWaalsContact O-N 3.1Å; L456-F459 PolarHBondContact O-N 2.66Å; L456-M460 PolarHBondContact O-N 3.3Å |
| 457 | R | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 25% | 0.249 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.6 | -171.6 | -57.3 | -172 | 179.9 | 166.2 | -3.8 | 113.8 | V452 P453 E454 F459 M460 K465 | V452-R457 HydrophobicContact CB-CG 4.47Å; V452-R457 HydrophobicContact CG1-CG 4Å; V452-R457 PolarHBondContact O-NE 2.66Å; P453-R457 WeakPolarHBondContact O-CG 3.37Å; P453-R457 PolarHBondContact O-N 3.32Å; E454-R457 WeakPolarHBondContact O-CB 3.28Å; E454-R457 WeakPolarHBondContact O-CG 3.18Å; E454-R457 PolarHBondContact O-N 2.88Å; R457-F459 PolarHBondContact O-N 2.75Å; R457-M460 PolarHBondContact O-N 2.83Å; R457-K465 HydrophobicContact CB-CG 4.12Å; R457-K465 WeakPolarHBondContact CB-O 3.37Å; R457-K465 WeakPolarHBondContact CD-O 3.4Å; R457-K465 WeakPolarHBondContact CG-O 3.47Å |
| 458 | Q | 97.7 | Very high | 97.8 | Very high | 136 Ų | 136 | 62.1 Ų | 62.1 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.1 | 177 | 67.1 | -177.2 | -43.9 | 0 | 0 | 113.3 | I455 L456 | I455-Q458 PolarHBondContact O-NE2 2.98Å; L456-Q458 PolarHBondContact O-N 2.8Å; L456-Q458 VanDerWaalsContact O-N 3.1Å |
| 459 | F | 97.9 | Very high | 98 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11.3 | -179.6 | -52.2 | -68.2 | 0 | 0 | 0 | 112.8 | A206 N209 L210 L456 R457 | A206-F459 HydrophobicContact CB-CB 3.55Å; A206-F459 HydrophobicContact CB-CD2 4.35Å; A206-F459 HydrophobicContact CB-CG 4.31Å; N209-F459 HydrophobicContact CB-CD1 3.96Å; N209-F459 HydrophobicContact CB-CE1 3.95Å; N209-F459 HydrophobicContact CB-CG 4.45Å; N209-F459 HydrophobicContact CB-CZ 4.43Å; L210-F459 HydrophobicContact CB-CE2 4.16Å; L210-F459 HydrophobicContact CD1-CE2 4.49Å; L456-F459 PolarHBondContact O-N 2.66Å; R457-F459 PolarHBondContact O-N 2.75Å |
| 460 | M | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.069 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -86.7 | 145.6 | -177.5 | -66.3 | -59.6 | -75.2 | 0 | 0 | 111.5 | F202 L203 A206 V452 L456 R457 I468 | F202-M460 HydrophobicContact CB-CE 4.03Å; F202-M460 HydrophobicContact CB-SD 4.11Å; L203-M460 HydrophobicContact CB-CE 4.2Å; L203-M460 HydrophobicContact CB-SD 4.31Å; L203-M460 HydrophobicContact CD1-CE 4.31Å; L203-M460 HydrophobicContact CD1-SD 4.03Å; A206-M460 HydrophobicContact CB-SD 3.94Å; V452-M460 HydrophobicContact CG1-CG 3.85Å; V452-M460 HydrophobicContact CG2-CE 4.46Å; L456-M460 PolarHBondContact O-N 3.3Å; R457-M460 PolarHBondContact O-N 2.83Å; M460-I468 HydrophobicContact CE-CD1 4.23Å |
| 461 | P | 97.9 | Very high | 97.8 | Very high | 34 Ų | 34 | 67 Ų | 67 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | trans | -64 | 156.3 | 171 | 30.2 | -36.7 | 0 | 0 | 0 | 110.7 | F202 S463 Y464 K465 | F202-P461 HydrophobicContact CB-CG 4.22Å; F202-P461 HydrophobicContact CD1-CG 3.93Å; F202-P461 HydrophobicContact CD2-CG 3.76Å; F202-P461 HydrophobicContact CE1-CG 4.2Å; F202-P461 HydrophobicContact CE2-CG 4.04Å; F202-P461 HydrophobicContact CG-CG 3.7Å; F202-P461 HydrophobicContact CZ-CG 4.25Å; P461-S463 PolarHBondContact O-N 2.99Å; P461-S463 VanDerWaalsContact O-N 3.1Å; P461-Y464 HydrophobicContact CG-CD2 3.67Å; P461-Y464 HydrophobicContact CG-CE2 4.49Å; P461-Y464 HydrophobicContact CG-CG 4.38Å; P461-Y464 CarbonylContact O-C 3.48Å; P461-Y464 PolarHBondContact O-N 3.35Å; P461-K465 PolarHBondContact O-N 3.42Å; P461-K465 VanDerWaalsContact O-N 3.09Å | ||
| 462 | H | 97.2 | Very high | 97.6 | Very high | 172 Ų | 172 | 66.5 Ų | 66.5 | 80% | 0.796 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -51.5 | -40.1 | -176.5 | -175.3 | 70.7 | 0 | 0 | 0 | 113.4 | Y464 K465 | H462-Y464 PolarHBondContact O-N 3.46Å; H462-K465 WeakPolarHBondContact O-CB 3.34Å; H462-K465 PolarHBondContact O-N 3.03Å |
| 463 | S | 96.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 71 Ų | 71 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -64.4 | -21.8 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 115 | P461 | P461-S463 PolarHBondContact O-N 2.99Å; P461-S463 VanDerWaalsContact O-N 3.1Å |
| 464 | Y | 97.7 | Very high | 96.4 | Very high | 55 Ų | 55 | 70.7 Ų | 70.7 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -123.4 | 17.3 | -178.5 | -56.3 | -44.2 | 0 | 0 | 0 | 111.5 | P199 F202 V452 P461 H462 E466 I468 | P199-Y464 HydrophobicContact CB-CD1 4.29Å; P199-Y464 HydrophobicContact CB-CD2 3.93Å; P199-Y464 HydrophobicContact CB-CE1 4.18Å; P199-Y464 HydrophobicContact CB-CE2 3.82Å; P199-Y464 HydrophobicContact CB-CG 4.18Å; F202-Y464 HydrophobicContact CD2-CD2 4.15Å; F202-Y464 HydrophobicContact CD2-CE2 4.17Å; V452-Y464 VanDerWaalsContact CG2-O 3.23Å; V452-Y464 WeakPolarHBondContact CG2-O 3.42Å; P461-Y464 HydrophobicContact CG-CD2 3.67Å; P461-Y464 HydrophobicContact CG-CE2 4.49Å; P461-Y464 HydrophobicContact CG-CG 4.38Å; P461-Y464 CarbonylContact O-C 3.48Å; P461-Y464 PolarHBondContact O-N 3.35Å; H462-Y464 PolarHBondContact O-N 3.46Å; Y464-E466 PolarHBondContact O-N 3.2Å; Y464-I468 HydrophobicContact CD1-CG1 4.5Å; Y464-I468 HydrophobicContact CG-CG1 4.44Å |
| 465 | K | 97.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.1 | -39.9 | -169 | -173.4 | 172.5 | -176.6 | 179.5 | 0 | 112.7 | R457 P461 H462 | R457-K465 HydrophobicContact CB-CG 4.12Å; R457-K465 WeakPolarHBondContact CB-O 3.37Å; R457-K465 WeakPolarHBondContact CD-O 3.4Å; R457-K465 WeakPolarHBondContact CG-O 3.47Å; P461-K465 PolarHBondContact O-N 3.42Å; P461-K465 VanDerWaalsContact O-N 3.09Å; H462-K465 WeakPolarHBondContact O-CB 3.34Å; H462-K465 PolarHBondContact O-N 3.03Å |
| 466 | E | 97.8 | Very high | 94 | Very high | 128 Ų | 128 | 66.4 Ų | 66.4 | 60% | 0.598 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -111.9 | -36.5 | -176 | -64.6 | -177.7 | -175.3 | 0 | 0 | 112.7 | V452 Y464 | V452-E466 PolarHBondContact N-O 3.33Å; Y464-E466 PolarHBondContact O-N 3.2Å |
| 467 | L | 98.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.7 | -176 | -173.3 | 80 | 0 | 0 | 0 | 109.5 | R451 | R451-L467 HydrophobicContact CB-CD1 4.48Å |
| 468 | I | 98.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 107.3 | 165.6 | -61.3 | 164.1 | 0 | 0 | 0 | 106.8 | I177 P199 L203 G449 I450 V452 M460 Y464 | I177-I468 HydrophobicContact CB-CG2 3.79Å; I177-I468 HydrophobicContact CD1-CG2 4.28Å; I177-I468 HydrophobicContact CG2-CG2 3.77Å; P199-I468 HydrophobicContact CB-CB 4.45Å; P199-I468 HydrophobicContact CB-CD1 4.19Å; P199-I468 HydrophobicContact CB-CG1 4.14Å; P199-I468 HydrophobicContact CB-CG2 3.48Å; P199-I468 VanDerWaalsContact CB-CG2 3.48Å; P199-I468 HydrophobicContact CG-CG2 3.77Å; L203-I468 HydrophobicContact CD2-CD1 4.19Å; G449-I468 CarbonylContact C-O 3.58Å; G449-I468 WeakPolarHBondContact CA-O 3.4Å; I450-I468 HydrophobicContact CB-CB 4.32Å; I450-I468 PolarHBondContact N-O 2.66Å; I450-I468 PolarHBondContact O-N 3.38Å; V452-I468 HydrophobicContact CG2-CD1 4.05Å; V452-I468 HydrophobicContact CG2-CG1 3.92Å; M460-I468 HydrophobicContact CE-CD1 4.23Å; Y464-I468 HydrophobicContact CD1-CG1 4.5Å; Y464-I468 HydrophobicContact CG-CG1 4.44Å |
| 469 | P | 97.9 | Very high | 88.9 | Confident | 50 Ų | 50 | 67 Ų | 67 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 150.9 | -173.2 | 30 | -35.4 | 0 | 0 | 0 | 112.2 | I471 | P469-I471 HydrophobicContact CG-CG2 4.36Å |
| 470 | F | 97.6 | Very high | 87.1 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | trans | -72.9 | 128.2 | 164.5 | -60.9 | -41.1 | 0 | 0 | 0 | 110.2 | L173 M176 I177 E446 N448 G449 I450 | L173-F470 HydrophobicContact CD2-CE1 3.82Å; L173-F470 HydrophobicContact CD2-CZ 3.71Å; M176-F470 HydrophobicContact CB-CB 4.42Å; M176-F470 HydrophobicContact CB-CD1 3.48Å; M176-F470 VanDerWaalsContact CB-CD1 3.48Å; M176-F470 HydrophobicContact CB-CE1 3.96Å; M176-F470 HydrophobicContact CB-CG 4.1Å; M176-F470 HydrophobicContact CE-CB 4.43Å; M176-F470 HydrophobicContact CE-CD1 3.9Å; M176-F470 HydrophobicContact CE-CD2 3.57Å; M176-F470 HydrophobicContact CE-CE1 3.98Å; M176-F470 HydrophobicContact CE-CE2 3.64Å; M176-F470 HydrophobicContact CE-CG 3.72Å; M176-F470 HydrophobicContact CE-CZ 3.86Å; M176-F470 CarbonylContact O-C 3.53Å; M176-F470 WeakPolarHBondContact O-CA 3.1Å; M176-F470 HydrophobicContact SD-CE1 4.42Å; I177-F470 HydrophobicContact CG2-CD1 3.7Å; I177-F470 HydrophobicContact CG2-CE1 3.92Å; E446-F470 WeakPolarHBondContact O-CE2 3.3Å; N448-F470 VanDerWaalsContact C-CD2 3.41Å; N448-F470 PolarHBondContact O-N 2.83Å; G449-F470 VanDerWaalsContact N-CD2 3.29Å; G449-F470 VanDerWaalsContact N-CE2 3.28Å; G449-F470 WeakPolarHBondContact O-CZ 3.45Å; I450-F470 HydrophobicContact CD1-CE1 3.85Å; I450-F470 HydrophobicContact CD1-CZ 4.02Å; I450-F470 HydrophobicContact CG1-CE1 4.13Å | ||
| 471 | I | 96 | Very high | 85.1 | Confident | 111 Ų | 111 | 74.6 Ų | 74.6 | 57% | 0.569 | 37% | 0.374 | S | S | * | . | trans | -123 | -2.5 | 177.9 | 70.4 | 172.8 | 0 | 0 | 0 | 113 | M176 D178 P469 | M176-I471 PolarHBondContact O-N 2.81Å; D178-I471 HydrophobicContact CB-CD1 3.52Å; D178-I471 HydrophobicContact CB-CG1 3.67Å; P469-I471 HydrophobicContact CG-CG2 4.36Å | ||
| 472 | K | 94.5 | Very high | 83.1 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -132.2 | 152.4 | 174.9 | -72.6 | 178.2 | 170.6 | 177.9 | 0 | 110.2 | V175 M176 D178 | V175-K472 HydrophobicContact CG1-CD 4.5Å; V175-K472 WeakPolarHBondContact O-CD 3.37Å; M176-K472 WeakPolarHBondContact CA-O 3.49Å; M176-K472 PolarHBondContact O-N 2.89Å; D178-K472 HydrophobicContact CB-CD 3.99Å; D178-K472 HydrophobicContact CB-CG 4.48Å; D178-K472 VanDerWaalsContact OD1-CE 3.28Å; D178-K472 WeakPolarHBondContact OD1-CE 3.45Å; D178-K472 IonicContact OD1-NZ 3.51Å; D178-K472 PolarHBondContact OD1-NZ 2.99Å |
| 473 | E | 88.9 | Confident | 80.9 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | trans | -69.5 | 153.3 | 170.7 | -63.8 | -169.9 | 170.3 | 0 | 0 | 111.3 | K481 | E473-K481 VanDerWaalsContact CD-NZ 3.29Å; E473-K481 IonicContact OE1-NZ 3.08Å; E473-K481 PolarHBondContact OE1-NZ 3.24Å; E473-K481 VanDerWaalsContact OE1-NZ 3.08Å; E473-K481 IonicContact OE2-NZ 2.73Å; E473-K481 PolarHBondContact OE2-NZ 3.49Å | ||
| 474 | A | 82 | Confident | 78.2 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -64.2 | 143.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y168 D172 M176 I476 E477 N478 | Y168-A474 HydrophobicContact CD1-CB 4.09Å; Y168-A474 HydrophobicContact CE1-CB 3.53Å; D172-A474 HydrophobicContact CB-CB 4.48Å; M176-A474 HydrophobicContact CE-CB 4.47Å; M176-A474 HydrophobicContact CG-CB 4.09Å; M176-A474 HydrophobicContact SD-CB 3.72Å; A474-I476 VanDerWaalsContact C-N 3.27Å; A474-I476 PolarHBondContact O-N 3.18Å; A474-E477 HydrophobicContact CB-CB 4.45Å; A474-E477 HydrophobicContact CB-CG 4.17Å; A474-E477 PolarHBondContact O-N 3.35Å; A474-N478 PolarHBondContact O-N 3.43Å; A474-N478 PolarHBondContact O-ND2 3.04Å | ||
| 475 | S | 76 | Confident | 77.3 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 177.5 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | E477 N478 N479 | S475-E477 VanDerWaalsContact C-N 3.32Å; S475-E477 PolarHBondContact O-N 3.04Å; S475-N478 PolarHBondContact O-N 3.33Å; S475-N479 PolarHBondContact O-N 3.49Å; S475-N479 PolarHBondContact O-ND2 2.73Å |
| 476 | I | 70 | Confident | 76.2 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 175.1 | -69.3 | 167.6 | 0 | 0 | 0 | 111.9 | D172 A474 N479 L480 | D172-I476 WeakPolarHBondContact OD1-CG1 3.39Å; D172-I476 PolarHBondContact OD1-N 3.23Å; D172-I476 WeakPolarHBondContact OD2-CD1 3.35Å; A474-I476 VanDerWaalsContact C-N 3.27Å; A474-I476 PolarHBondContact O-N 3.18Å; I476-N479 PolarHBondContact O-N 3.44Å; I476-L480 HydrophobicContact CG2-CD1 4.06Å; I476-L480 WeakPolarHBondContact O-CG 3.43Å; I476-L480 PolarHBondContact O-N 3.17Å; I476-L480 VanDerWaalsContact O-N 3.09Å |
| 477 | E | 65.9 | Low | 75 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | -179.1 | -68 | 172.9 | -174 | 0 | 0 | 111.2 | K167 Y168 A474 S475 L480 K481 | K167-E477 IonicContact NZ-OE1 3.73Å; Y168-E477 PolarHBondContact OH-OE1 3.4Å; A474-E477 HydrophobicContact CB-CB 4.45Å; A474-E477 HydrophobicContact CB-CG 4.17Å; A474-E477 PolarHBondContact O-N 3.35Å; S475-E477 VanDerWaalsContact C-N 3.32Å; S475-E477 PolarHBondContact O-N 3.04Å; E477-L480 PolarHBondContact O-N 3.11Å; E477-K481 WeakPolarHBondContact O-CG 3.44Å; E477-K481 PolarHBondContact O-N 3.4Å |
| 478 | N | 61.7 | Low | 73.6 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 35% | 0.348 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 173.8 | -81.7 | -48.1 | 0 | 0 | 0 | 113.3 | A474 S475 K482 | A474-N478 PolarHBondContact O-N 3.43Å; A474-N478 PolarHBondContact O-ND2 3.04Å; S475-N478 PolarHBondContact O-N 3.33Å; N478-K482 WeakPolarHBondContact O-CG 3.46Å; N478-K482 PolarHBondContact O-N 3.45Å |
| 479 | N | 59.5 | Low | 72.1 | Confident | 89 Ų | 89 | 89 Ų | 89 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.8 | -72.7 | -24 | 0 | 0 | 0 | 111.4 | S475 I476 K481 K482 T483 | S475-N479 PolarHBondContact O-N 3.49Å; S475-N479 PolarHBondContact O-ND2 2.73Å; I476-N479 PolarHBondContact O-N 3.44Å; N479-K481 VanDerWaalsContact C-N 3.33Å; N479-K481 PolarHBondContact O-N 3.12Å; N479-K482 PolarHBondContact O-N 3.09Å; N479-K482 VanDerWaalsContact O-N 3.11Å; N479-T483 PolarHBondContact O-N 3.35Å; N479-T483 PolarHBondContact O-OG1 3.06Å; N479-T483 VanDerWaalsContact O-OG1 3.06Å |
| 480 | L | 58.8 | Low | 70.3 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.7 | -73.7 | 165.8 | 0 | 0 | 0 | 112.4 | I476 E477 K482 T483 N484 | I476-L480 HydrophobicContact CG2-CD1 4.06Å; I476-L480 WeakPolarHBondContact O-CG 3.43Å; I476-L480 PolarHBondContact O-N 3.17Å; I476-L480 VanDerWaalsContact O-N 3.09Å; E477-L480 PolarHBondContact O-N 3.11Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.08Å; L480-T483 WeakPolarHBondContact CA-OG1 3.37Å; L480-T483 PolarHBondContact O-N 3.27Å; L480-T483 PolarHBondContact O-OG1 3.24Å; L480-T483 VanDerWaalsContact O-OG1 3.12Å; L480-N484 PolarHBondContact O-N 3.4Å |
| 481 | K | 56.6 | Low | 68.4 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 53% | 0.526 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -19.7 | 174.3 | -73.6 | 176.7 | -175.5 | 172.9 | 0 | 114.1 | E473 E477 N479 | E473-K481 VanDerWaalsContact CD-NZ 3.29Å; E473-K481 IonicContact OE1-NZ 3.08Å; E473-K481 PolarHBondContact OE1-NZ 3.24Å; E473-K481 VanDerWaalsContact OE1-NZ 3.08Å; E473-K481 IonicContact OE2-NZ 2.73Å; E473-K481 PolarHBondContact OE2-NZ 3.49Å; E477-K481 WeakPolarHBondContact O-CG 3.44Å; E477-K481 PolarHBondContact O-N 3.4Å; N479-K481 VanDerWaalsContact C-N 3.33Å; N479-K481 PolarHBondContact O-N 3.12Å |
| 482 | K | 55.5 | Low | 66.3 | Low | 172 Ų | 172 | 94.1 Ų | 94.1 | 75% | 0.748 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -92 | -19.1 | 176.8 | -74.9 | 179.4 | -179.2 | 179.9 | 0 | 113.2 | N478 N479 L480 | N478-K482 WeakPolarHBondContact O-CG 3.46Å; N478-K482 PolarHBondContact O-N 3.45Å; N479-K482 PolarHBondContact O-N 3.09Å; N479-K482 VanDerWaalsContact O-N 3.11Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.08Å |
| 483 | T | 51.8 | Low | 63.9 | Low | 110 Ų | 110 | 93.6 Ų | 93.6 | 68% | 0.675 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -95.9 | -12.7 | 178 | 45.4 | 0 | 0 | 0 | 0 | 114.1 | N479 L480 | N479-T483 PolarHBondContact O-N 3.35Å; N479-T483 PolarHBondContact O-OG1 3.06Å; N479-T483 VanDerWaalsContact O-OG1 3.06Å; L480-T483 WeakPolarHBondContact CA-OG1 3.37Å; L480-T483 PolarHBondContact O-N 3.27Å; L480-T483 PolarHBondContact O-OG1 3.24Å; L480-T483 VanDerWaalsContact O-OG1 3.12Å |
| 484 | N | 40.3 | Very low | 61.6 | Low | 189 Ų | 189 | 93.5 Ų | 93.5 | 100% | 1.011 | 48% | 0.481 | S | S | * | . | trans | -102.7 | 0 | 166.7 | -69.5 | -21.3 | 0 | 0 | 0 | 109.4 | L480 | L480-N484 PolarHBondContact O-N 3.4Š|
Retrieved 484 of 484 residues in 197.9 ms
(Link to these results)