| 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 | 27.3 | Very low | 34.5 | Very low | 211 Ų | 211 | 69.5 Ų | 69.5 | 100% | 1.039 | 35% | 0.354 | S | S | * | . | 0 | -14.6 | 0 | -83 | -161.7 | -78.8 | 0 | 0 | 113.4 | |||||
| 2 | L | 25.7 | Very low | 35.2 | Very low | 145 Ų | 145 | 63.8 Ų | 63.8 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | trans | -87.4 | -20.2 | 171.4 | -135.5 | 82.3 | 0 | 0 | 0 | 113.3 | ||||
| 3 | D | 28.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 63.8 Ų | 63.8 | 68% | 0.684 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.3 | -173.9 | -50.8 | -63 | 0 | 0 | 0 | 114.9 | ||
| 4 | F | 31.7 | Very low | 36.5 | Very low | 137 Ų | 137 | 60.6 Ų | 60.6 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -24.5 | -178.7 | -73.2 | -82.1 | 0 | 0 | 0 | 113.2 | ||
| 5 | A | 27.4 | Very low | 37.1 | Very low | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -59.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | F7 I49 | A5-F7 PolarHBondContact O-N 3.28Å; A5-I49 VanDerWaalsContact C-CG1 3.47Å; A5-I49 CarbonylContact C-O 3.53Å; A5-I49 WeakPolarHBondContact CA-O 3.48Å; A5-I49 HydrophobicContact CB-CG2 3.66Å; A5-I49 CarbonylContact O-C 3.53Å; A5-I49 WeakPolarHBondContact O-CA 3.49Å; A5-I49 WeakPolarHBondContact O-CB 3.27Å; A5-I49 WeakPolarHBondContact O-CG1 3.34Å; A5-I49 WeakPolarHBondContact O-CG2 3.46Å |
| 6 | I | 38.4 | Very low | 37.5 | Very low | 58 Ų | 58 | 53.9 Ų | 53.9 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -35.2 | -30.9 | -177.7 | -79.6 | 173.7 | 0 | 0 | 0 | 118.6 | A8 D212 | I6-A8 PolarHBondContact O-N 3.37Å; I6-D212 HydrophobicContact CB-CB 3.92Å; I6-D212 HydrophobicContact CG1-CB 4.42Å; I6-D212 HydrophobicContact CG2-CB 3.06Å; I6-D212 WeakPolarHBondContact CG2-OD2 3.5Å; I6-D212 WeakPolarHBondContact O-CA 3.29Å; I6-D212 WeakPolarHBondContact O-CB 3.34Å |
| 7 | F | 40.6 | Very low | 38.2 | Very low | 23 Ų | 23 | 52.5 Ų | 52.5 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -72.1 | -27.3 | -161.2 | -173 | -96.9 | 0 | 0 | 0 | 117.2 | A5 V9 G52 G207 M211 S444 E445 | A5-F7 PolarHBondContact O-N 3.28Å; F7-V9 PolarHBondContact O-N 3.14Å; F7-G52 WeakPolarHBondContact CB-O 3.33Å; F7-G52 WeakPolarHBondContact CD1-O 3.2Å; F7-G207 WeakPolarHBondContact CE2-O 3.13Å; F7-M211 HydrophobicContact CD1-CE 4.39Å; F7-M211 HydrophobicContact CD2-CE 4.14Å; F7-M211 HydrophobicContact CE1-CE 3.76Å; F7-M211 HydrophobicContact CE2-CE 3.42Å; F7-M211 VanDerWaalsContact CE2-CE 3.42Å; F7-M211 HydrophobicContact CZ-CE 3.16Å; F7-S444 WeakPolarHBondContact CE1-O 3.27Å; F7-E445 HydrophobicContact CE1-CB 4.36Å; F7-E445 HydrophobicContact CE1-CG 4.17Å; F7-E445 HydrophobicContact CE2-CB 4.49Å; F7-E445 HydrophobicContact CE2-CG 3.89Å; F7-E445 WeakPolarHBondContact CE2-OE1 3.39Å; F7-E445 HydrophobicContact CZ-CB 3.58Å; F7-E445 HydrophobicContact CZ-CG 3.25Å; F7-E445 WeakPolarHBondContact CZ-OE1 3.49Å |
| 8 | A | 32.9 | Very low | 38.9 | Very low | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -93.8 | 4.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I6 I48 | I6-A8 PolarHBondContact O-N 3.37Å; A8-I48 HydrophobicContact CB-CB 3.58Å; A8-I48 HydrophobicContact CB-CG2 3.15Å; A8-I48 WeakPolarHBondContact CB-O 3.38Å; A8-I48 WeakPolarHBondContact O-CG2 3.49Å |
| 9 | V | 38.4 | Very low | 39.2 | Very low | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -91.7 | -25.9 | -158 | 141.3 | 0 | 0 | 0 | 0 | 115.6 | F7 I13 L45 I49 M211 | F7-V9 PolarHBondContact O-N 3.14Å; V9-I13 HydrophobicContact CG1-CD1 4.29Å; V9-I13 WeakPolarHBondContact O-CG1 3.46Å; V9-L45 HydrophobicContact CB-CD1 3.67Å; V9-L45 HydrophobicContact CB-CG 3.81Å; V9-L45 HydrophobicContact CG1-CD1 3.48Å; V9-L45 VanDerWaalsContact CG1-CD1 3.48Å; V9-L45 HydrophobicContact CG1-CD2 3.68Å; V9-L45 HydrophobicContact CG1-CG 3.47Å; V9-L45 VanDerWaalsContact CG1-CG 3.47Å; V9-L45 VanDerWaalsContact CG2-C 3.45Å; V9-L45 HydrophobicContact CG2-CB 4.06Å; V9-L45 HydrophobicContact CG2-CD1 3.47Å; V9-L45 VanDerWaalsContact CG2-CD1 3.47Å; V9-L45 HydrophobicContact CG2-CD2 4.35Å; V9-L45 HydrophobicContact CG2-CG 3.27Å; V9-L45 WeakPolarHBondContact CG2-O 3.19Å; V9-L45 WeakPolarHBondContact O-CD1 3.22Å; V9-I49 HydrophobicContact CB-CD1 3.61Å; V9-I49 HydrophobicContact CB-CG1 3.64Å; V9-I49 HydrophobicContact CG1-CD1 4Å; V9-I49 HydrophobicContact CG2-CB 3.58Å; V9-I49 HydrophobicContact CG2-CD1 3.11Å; V9-I49 HydrophobicContact CG2-CG1 3.04Å; V9-M211 CarbonylContact C-O 3.6Å; V9-M211 WeakPolarHBondContact CA-O 3.31Å; V9-M211 WeakPolarHBondContact CB-O 3.16Å; V9-M211 PolarHBondContact N-O 2.89Å; V9-M211 VanDerWaalsContact N-O 3.17Å |
| 10 | T | 46.6 | Very low | 39.4 | Very low | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -125.3 | 7.7 | -166.4 | -32.3 | 0 | 0 | 0 | 0 | 115.7 | V12 I13 I14 Y210 M211 D212 | T10-V12 PolarHBondContact O-N 2.93Å; T10-I13 HydrophobicContact CG2-CB 3.55Å; T10-I13 HydrophobicContact CG2-CD1 3.99Å; T10-I13 HydrophobicContact CG2-CG1 3.94Å; T10-I13 HydrophobicContact CG2-CG2 4.28Å; T10-I14 HydrophobicContact CG2-CD1 3.65Å; T10-I14 HydrophobicContact CG2-CG1 3.97Å; T10-Y210 WeakPolarHBondContact CB-O 3.45Å; T10-Y210 WeakPolarHBondContact CG2-O 3.41Å; T10-Y210 PolarHBondContact OG1-O 3.46Å; T10-M211 WeakPolarHBondContact CB-O 3.18Å; T10-M211 PolarHBondContact N-O 3.15Å; T10-M211 VanDerWaalsContact OG1-CA 3.27Å; T10-M211 WeakPolarHBondContact OG1-CA 3.17Å; T10-M211 PolarHBondContact OG1-O 2.91Å; T10-D212 PolarHBondContact OG1-N 3.25Å |
| 11 | F | 42.4 | Very low | 39.8 | Very low | 19 Ų | 19 | 56.8 Ų | 56.8 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -40 | 153.9 | 176.7 | -93.8 | 0 | 0 | 0 | 109.8 | L15 L54 M103 M211 V342 I365 L446 | F11-L15 HydrophobicContact CD1-CD2 4.37Å; F11-L15 HydrophobicContact CE1-CD2 3.83Å; F11-L15 HydrophobicContact CZ-CD2 4.45Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.47Å; F11-L54 HydrophobicContact CB-CD2 4.26Å; F11-L54 HydrophobicContact CD1-CD2 3.09Å; F11-L54 HydrophobicContact CE1-CD2 3.49Å; F11-L54 VanDerWaalsContact CE1-CD2 3.49Å; F11-L54 HydrophobicContact CG-CD2 3.84Å; F11-M103 HydrophobicContact CD1-CE 4.44Å; F11-M103 HydrophobicContact CD2-CE 3.76Å; F11-M103 HydrophobicContact CD2-SD 3.8Å; F11-M103 HydrophobicContact CE1-CE 4.01Å; F11-M103 HydrophobicContact CE2-CE 3.2Å; F11-M103 HydrophobicContact CE2-SD 3.58Å; F11-M103 VanDerWaalsContact CE2-SD 3.58Å; F11-M103 HydrophobicContact CG-CE 4.38Å; F11-M103 HydrophobicContact CZ-CE 3.37Å; F11-M103 HydrophobicContact CZ-SD 4.36Å; F11-M211 HydrophobicContact CB-SD 4.16Å; F11-V342 HydrophobicContact CE1-CB 4.49Å; F11-V342 HydrophobicContact CE1-CG1 3.64Å; F11-V342 HydrophobicContact CZ-CB 4.18Å; F11-V342 HydrophobicContact CZ-CG1 3.63Å; F11-I365 HydrophobicContact CE1-CD1 4.1Å; F11-L446 HydrophobicContact CD2-CD2 3.35Å; F11-L446 HydrophobicContact CD2-CG 4.38Å; F11-L446 HydrophobicContact CE2-CD2 3.37Å |
| 12 | V | 42.4 | Very low | 40.6 | Very low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -90.7 | -27.9 | -171.1 | -159.2 | 0 | 0 | 0 | 0 | 111.5 | T10 I14 V16 I48 L54 F71 F73 L363 | T10-V12 PolarHBondContact O-N 2.93Å; V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 2.92Å; V12-V16 HydrophobicContact CG1-CG2 4.15Å; V12-V16 WeakPolarHBondContact O-CB 3.06Å; V12-V16 WeakPolarHBondContact O-CG2 3.32Å; V12-V16 PolarHBondContact O-N 3.01Å; V12-I48 HydrophobicContact CG2-CD1 4.09Å; V12-L54 HydrophobicContact CG2-CD1 3.93Å; V12-L54 HydrophobicContact CG2-CD2 3.72Å; V12-L54 HydrophobicContact CG2-CG 4.4Å; V12-F71 HydrophobicContact CG1-CE2 4.44Å; V12-F73 HydrophobicContact CB-CD1 4.12Å; V12-F73 HydrophobicContact CB-CD2 3.19Å; V12-F73 HydrophobicContact CB-CE1 4.17Å; V12-F73 HydrophobicContact CB-CE2 3.2Å; V12-F73 HydrophobicContact CB-CG 3.64Å; V12-F73 HydrophobicContact CB-CZ 3.66Å; V12-F73 HydrophobicContact CG1-CB 3.58Å; V12-F73 HydrophobicContact CG1-CD1 3.7Å; V12-F73 HydrophobicContact CG1-CD2 2.99Å; V12-F73 HydrophobicContact CG1-CE1 4.26Å; V12-F73 HydrophobicContact CG1-CE2 3.61Å; V12-F73 HydrophobicContact CG1-CG 3Å; V12-F73 HydrophobicContact CG1-CZ 4.14Å; V12-F73 HydrophobicContact CG2-CD2 4.07Å; V12-F73 HydrophobicContact CG2-CE2 4.12Å; V12-F73 WeakPolarHBondContact O-CD1 3.39Å; V12-F73 VanDerWaalsContact O-CE1 3.31Å; V12-F73 WeakPolarHBondContact O-CE1 3.46Å; V12-L363 HydrophobicContact CG1-CD2 4.47Å |
| 13 | I | 43.7 | Very low | 41.6 | Very low | 64 Ų | 64 | 47.9 Ų | 47.9 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 173 | -55.9 | -177.2 | 0 | 0 | 0 | 111.9 | V9 T10 V16 G17 L45 F73 | V9-I13 HydrophobicContact CG1-CD1 4.29Å; V9-I13 WeakPolarHBondContact O-CG1 3.46Å; T10-I13 HydrophobicContact CG2-CB 3.55Å; T10-I13 HydrophobicContact CG2-CD1 3.99Å; T10-I13 HydrophobicContact CG2-CG1 3.94Å; T10-I13 HydrophobicContact CG2-CG2 4.28Å; I13-V16 CarbonylContact O-C 3.56Å; I13-G17 WeakPolarHBondContact O-CA 3.48Å; I13-G17 PolarHBondContact O-N 3.27Å; I13-L45 HydrophobicContact CD1-CD1 4.14Å; I13-L45 HydrophobicContact CD1-CD2 4Å; I13-L45 HydrophobicContact CG1-CD1 4Å; I13-F73 VanDerWaalsContact CA-CZ 3.47Å; I13-F73 HydrophobicContact CB-CE1 3.86Å; I13-F73 HydrophobicContact CB-CZ 3.92Å; I13-F73 HydrophobicContact CD1-CZ 4.46Å; I13-F73 HydrophobicContact CG1-CE1 3.55Å; I13-F73 HydrophobicContact CG1-CE2 4.48Å; I13-F73 HydrophobicContact CG1-CZ 3.25Å |
| 14 | I | 45.9 | Very low | 42.4 | Very low | 20 Ų | 20 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -96.2 | -31.7 | -170.8 | -66.8 | 166.5 | 0 | 0 | 0 | 111.9 | T10 V12 V16 G17 A18 L107 Y210 | T10-I14 HydrophobicContact CG2-CD1 3.65Å; T10-I14 HydrophobicContact CG2-CG1 3.97Å; V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 2.92Å; I14-V16 PolarHBondContact O-N 2.91Å; I14-G17 PolarHBondContact O-N 3.45Å; I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 3.42Å; I14-L107 HydrophobicContact CB-CD2 3.93Å; I14-L107 HydrophobicContact CB-CG 4.35Å; I14-L107 HydrophobicContact CD1-CD2 3.24Å; I14-L107 HydrophobicContact CD1-CG 4.37Å; I14-L107 HydrophobicContact CG1-CD2 4.12Å; I14-L107 HydrophobicContact CG2-CD2 3.7Å; I14-L107 HydrophobicContact CG2-CG 3.64Å; I14-Y210 HydrophobicContact CD1-CD1 3.45Å; I14-Y210 VanDerWaalsContact CD1-CD1 3.45Å; I14-Y210 HydrophobicContact CD1-CE1 4.32Å; I14-Y210 HydrophobicContact CD1-CG 4.08Å |
| 15 | L | 44.9 | Very low | 42.9 | Very low | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -40.9 | 160.9 | -175.7 | 71.7 | 0 | 0 | 0 | 110.6 | F11 V19 M103 A344 L363 I365 | F11-L15 HydrophobicContact CD1-CD2 4.37Å; F11-L15 HydrophobicContact CE1-CD2 3.83Å; F11-L15 HydrophobicContact CZ-CD2 4.45Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.47Å; L15-V19 VanDerWaalsContact O-CB 3.26Å; L15-V19 WeakPolarHBondContact O-CB 3.39Å; L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.08Å; L15-M103 HydrophobicContact CB-CE 3.79Å; L15-M103 HydrophobicContact CD1-CE 3.48Å; L15-M103 VanDerWaalsContact CD1-CE 3.48Å; L15-M103 HydrophobicContact CD2-CE 4.19Å; L15-M103 HydrophobicContact CG-CE 4.02Å; L15-A344 HydrophobicContact CD1-CB 3.38Å; L15-A344 HydrophobicContact CD2-CB 3.44Å; L15-A344 VanDerWaalsContact CD2-CB 3.44Å; L15-A344 HydrophobicContact CG-CB 4.02Å; L15-L363 HydrophobicContact CD1-CD1 4.18Å; L15-L363 HydrophobicContact CD2-CD1 3.75Å; L15-L363 HydrophobicContact CD2-CD2 3.47Å; L15-L363 VanDerWaalsContact CD2-CD2 3.47Å; L15-L363 HydrophobicContact CD2-CG 4.07Å; L15-L363 HydrophobicContact CG-CD1 3.75Å; L15-L363 HydrophobicContact CG-CD2 3.84Å; L15-L363 HydrophobicContact CG-CG 4.42Å; L15-I365 HydrophobicContact CD2-CD1 3.54Å |
| 16 | V | 43.9 | Very low | 43.9 | Very low | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.9 | -33.8 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 112 | V12 I13 I14 V19 L20 F73 L363 | V12-V16 HydrophobicContact CG1-CG2 4.15Å; V12-V16 WeakPolarHBondContact O-CB 3.06Å; V12-V16 WeakPolarHBondContact O-CG2 3.32Å; V12-V16 PolarHBondContact O-N 3.01Å; I13-V16 CarbonylContact O-C 3.56Å; I14-V16 PolarHBondContact O-N 2.91Å; V16-V19 CarbonylContact O-C 3.47Å; V16-V19 PolarHBondContact O-N 2.79Å; V16-L20 HydrophobicContact CB-CD1 4.41Å; V16-L20 HydrophobicContact CG1-CD1 3.33Å; V16-L20 HydrophobicContact CG1-CG 3.78Å; V16-L20 WeakPolarHBondContact O-CA 3.45Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 VanDerWaalsContact O-CD1 3.28Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 WeakPolarHBondContact O-CG 3.36Å; V16-L20 PolarHBondContact O-N 3.29Å; V16-F73 HydrophobicContact CB-CD1 3.63Å; V16-F73 HydrophobicContact CB-CE1 4.25Å; V16-F73 HydrophobicContact CG1-CD1 3.91Å; V16-F73 HydrophobicContact CG2-CB 4.02Å; V16-F73 HydrophobicContact CG2-CD1 3.48Å; V16-F73 VanDerWaalsContact CG2-CD1 3.48Å; V16-F73 HydrophobicContact CG2-CE1 4.45Å; V16-F73 HydrophobicContact CG2-CG 3.95Å; V16-L363 HydrophobicContact CG2-CD2 3.56Å |
| 17 | G | 48.8 | Very low | 44.5 | Very low | 30 Ų | 30 | 52.6 Ų | 52.6 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I13 I14 V19 L20 Y21 | I13-G17 WeakPolarHBondContact O-CA 3.48Å; I13-G17 PolarHBondContact O-N 3.27Å; I14-G17 PolarHBondContact O-N 3.45Å; G17-V19 VanDerWaalsContact C-N 3.33Å; G17-L20 PolarHBondContact O-N 3.48Å; G17-Y21 WeakPolarHBondContact O-CB 3.33Å; G17-Y21 PolarHBondContact O-N 3.16Å |
| 18 | A | 51.2 | Low | 45.2 | Very low | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I14 L22 | I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.38Å; I14-A18 PolarHBondContact O-N 3.42Å; A18-L22 WeakPolarHBondContact O-CD1 3.12Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å |
| 19 | V | 45.2 | Very low | 46.4 | Very low | 18 Ų | 18 | 61.2 Ų | 61.2 | 11% | 0.109 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.2 | -30.4 | 176.1 | 170 | 0 | 0 | 0 | 0 | 112.5 | L15 V16 G17 Y23 R76 L346 | L15-V19 VanDerWaalsContact O-CB 3.26Å; L15-V19 WeakPolarHBondContact O-CB 3.39Å; L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.08Å; V16-V19 CarbonylContact O-C 3.47Å; V16-V19 PolarHBondContact O-N 2.79Å; G17-V19 VanDerWaalsContact C-N 3.33Å; V19-Y23 PolarHBondContact O-N 3.4Å; V19-Y23 VanDerWaalsContact O-N 3.08Å; V19-R76 PolarHBondContact O-NH1 3.34Å; V19-L346 HydrophobicContact CB-CD1 4.46Å; V19-L346 HydrophobicContact CG1-CD1 3.36Å; V19-L346 HydrophobicContact CG1-CD2 4.1Å; V19-L346 HydrophobicContact CG1-CG 4.33Å; V19-L346 HydrophobicContact CG2-CD1 4.2Å; V19-L346 HydrophobicContact CG2-CD2 4.36Å |
| 20 | L | 43 | Very low | 47.5 | Very low | 84 Ų | 84 | 65.1 Ų | 65.1 | 44% | 0.44 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 176.8 | -87.4 | 159.4 | 0 | 0 | 0 | 111.4 | V16 G17 L22 R76 | V16-L20 HydrophobicContact CB-CD1 4.41Å; V16-L20 HydrophobicContact CG1-CD1 3.33Å; V16-L20 HydrophobicContact CG1-CG 3.78Å; V16-L20 WeakPolarHBondContact O-CA 3.45Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 VanDerWaalsContact O-CD1 3.28Å; V16-L20 WeakPolarHBondContact O-CD1 3.38Å; V16-L20 WeakPolarHBondContact O-CG 3.36Å; V16-L20 PolarHBondContact O-N 3.29Å; G17-L20 PolarHBondContact O-N 3.48Å; L20-L22 PolarHBondContact O-N 2.89Å; L20-R76 VanDerWaalsContact CA-NH1 3.33Å; L20-R76 VanDerWaalsContact CG-CZ 3.44Å |
| 21 | Y | 48.3 | Very low | 48.8 | Very low | 186 Ų | 186 | 67.7 Ų | 67.7 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63 | -33.7 | 177.6 | -176.8 | -100.2 | 0 | 0 | 0 | 111.9 | G17 P112 | G17-Y21 WeakPolarHBondContact O-CB 3.33Å; G17-Y21 PolarHBondContact O-N 3.16Å; Y21-P112 HydrophobicContact CD1-CG 4.38Å; Y21-P112 HydrophobicContact CE1-CG 4.43Å |
| 22 | L | 43.2 | Very low | 51 | Low | 78 Ų | 78 | 67.6 Ų | 67.6 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -90.9 | -23.4 | -176.8 | -66.1 | 172.6 | 0 | 0 | 0 | 114 | A18 L20 P112 | A18-L22 WeakPolarHBondContact O-CD1 3.12Å; A18-L22 WeakPolarHBondContact O-CG 3.47Å; L20-L22 PolarHBondContact O-N 2.89Å; L22-P112 HydrophobicContact CD1-CB 4.27Å; L22-P112 HydrophobicContact CD1-CG 4.5Å; L22-P112 HydrophobicContact CD2-CG 4.08Å |
| 23 | Y | 46 | Very low | 53.4 | Low | 90 Ų | 90 | 70 Ų | 70 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | trans | -147.9 | 100.4 | -169.7 | -63.3 | -74.5 | 0 | 0 | 0 | 112.5 | V19 S25 R76 L346 E361 | V19-Y23 PolarHBondContact O-N 3.4Å; V19-Y23 VanDerWaalsContact O-N 3.08Å; Y23-S25 PolarHBondContact O-N 3.46Å; Y23-R76 PolarHBondContact O-NH1 3.4Å; Y23-R76 PolarHBondContact O-NH2 2.94Å; Y23-L346 HydrophobicContact CD2-CD2 3.45Å; Y23-L346 VanDerWaalsContact CD2-CD2 3.45Å; Y23-L346 HydrophobicContact CE2-CD2 3.5Å; Y23-L346 VanDerWaalsContact CE2-CD2 3.5Å; Y23-L346 HydrophobicContact CG-CD2 4.32Å; Y23-E361 HydrophobicContact CD1-CG 3.97Å; Y23-E361 WeakPolarHBondContact CD1-OE1 3.49Å; Y23-E361 HydrophobicContact CG-CG 4.08Å | ||
| 24 | P | 45.3 | Very low | 55.7 | Low | 109 Ų | 109 | 67.9 Ų | 67.9 | 71% | 0.708 | 37% | 0.371 | S | S | * | . | trans | -81.4 | -0.7 | -166.7 | 27.2 | -32.2 | 0 | 0 | 0 | 116.7 | ||||
| 25 | S | 43.2 | Very low | 57.9 | Low | 94 Ų | 94 | 69 Ų | 69 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | trans | -154.7 | 115.2 | -175.3 | -62.2 | 0 | 0 | 0 | 0 | 114.8 | Y23 E361 | Y23-S25 PolarHBondContact O-N 3.46Å; S25-E361 VanDerWaalsContact O-OE2 3.05Å | ||
| 26 | S | 47.5 | Very low | 60 | Low | 36 Ų | 36 | 78 Ų | 78 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | trans | -113.2 | 136.3 | 168.5 | 163.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | R | 51.1 | Low | 61.9 | Low | 210 Ų | 210 | 80.1 Ų | 80.1 | 79% | 0.792 | 43% | 0.425 | S | S | * | . | trans | -75.5 | 145.4 | 167.1 | -71.2 | -179.3 | 176.8 | 179.3 | -1.2 | 108.4 | A29 P359 | R27-A29 PolarHBondContact O-N 2.83Å; R27-P359 HydrophobicContact CB-CB 4.41Å; R27-P359 VanDerWaalsContact O-CG 3.31Å; R27-P359 WeakPolarHBondContact O-CG 3.42Å | ||
| 28 | R | 55.6 | Low | 63.8 | Low | 189 Ų | 189 | 82.6 Ų | 82.6 | 71% | 0.713 | 44% | 0.435 | S | S | * | . | trans | -57.8 | 133.6 | 176.2 | -70.6 | -178.2 | -176.9 | 179.1 | -3.3 | 110.7 | S30 W72 | R28-S30 PolarHBondContact O-N 3.25Å; R28-S30 VanDerWaalsContact O-N 3.17Å; R28-W72 HydrophobicContact CG-CH2 4.35Å | ||
| 29 | A | 58.3 | Low | 65.4 | Low | 19 Ų | 19 | 85.4 Ų | 85.4 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | trans | -64.7 | 111.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | R27 V32 V79 P359 | R27-A29 PolarHBondContact O-N 2.83Å; A29-V32 HydrophobicContact CB-CG2 4.09Å; A29-V79 HydrophobicContact CB-CG2 4.12Å; A29-P359 HydrophobicContact CB-CG 4.37Å | ||
| 30 | S | 60.4 | Low | 66.9 | Low | 88 Ų | 88 | 93.6 Ų | 93.6 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -82.5 | 128.8 | -178.3 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | R28 | R28-S30 PolarHBondContact O-N 3.25Å; R28-S30 VanDerWaalsContact O-N 3.17Å |
| 31 | G | 74.9 | Confident | 68.4 | Low | 62 Ų | 62 | 97.4 Ų | 97.4 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 94.3 | -1.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | H356 | G31-H356 PolarHBondContact O-CD2 3.28Å; G31-H356 PolarHBondContact O-NE2 2.88Å; G31-H356 VanDerWaalsContact O-NE2 3.09Å |
| 32 | V | 88.3 | Confident | 69.4 | Low | 17 Ų | 17 | 91.3 Ų | 91.3 | 10% | 0.103 | 48% | 0.478 | C | S | . | . | trans | -73.6 | 125.2 | 173 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | A29 V68 S70 V79 H356 | A29-V32 HydrophobicContact CB-CG2 4.09Å; V32-V68 HydrophobicContact CG1-CG1 3.84Å; V32-S70 PolarHBondContact O-OG 2.99Å; V32-V79 HydrophobicContact CG2-CG2 4.36Å; V32-H356 HydrophobicContact CG2-CB 3.67Å | ||
| 33 | P | 92.9 | Very high | 71.3 | Confident | 51 Ų | 51 | 87.6 Ų | 87.6 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | trans | -67.3 | 153.2 | 175.4 | 30.2 | -34.9 | 0 | 0 | 0 | 110.3 | F65 V68 A69 S70 H356 | P33-F65 HydrophobicContact CB-CB 4.32Å; P33-F65 HydrophobicContact CB-CD1 4.06Å; P33-F65 HydrophobicContact CG-CB 4.43Å; P33-V68 VanDerWaalsContact CG-O 3.31Å; P33-V68 WeakPolarHBondContact CG-O 3.42Å; P33-A69 CarbonylContact O-C 2.99Å; P33-A69 VanDerWaalsContact O-CA 3.32Å; P33-A69 WeakPolarHBondContact O-CA 3.29Å; P33-S70 PolarHBondContact O-N 3.25Å; P33-S70 PolarHBondContact O-OG 2.91Å; P33-S70 VanDerWaalsContact O-OG 3.07Å; P33-H356 WeakPolarHBondContact CD-CE1 3.4Å | ||
| 34 | G | 91.9 | Very high | 73.2 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | 162.3 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S70 | G34-S70 CarbonylContact C-O 3.35Å; G34-S70 WeakPolarHBondContact CA-O 3.34Å |
| 35 | L | 92 | Very high | 74.6 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 141.9 | 178.8 | -66.2 | 173.6 | 0 | 0 | 0 | 111.1 | F57 L61 F65 S70 W72 | L35-F57 HydrophobicContact CD1-CE2 3.8Å; L35-F57 HydrophobicContact CD1-CZ 3.82Å; L35-L61 HydrophobicContact CD1-CD1 3.85Å; L35-L61 HydrophobicContact CG-CD1 3.88Å; L35-F65 HydrophobicContact CD2-CE2 3.77Å; L35-F65 HydrophobicContact CD2-CZ 3.84Å; L35-F65 HydrophobicContact CG-CE2 3.81Å; L35-F65 HydrophobicContact CG-CZ 4.24Å; L35-S70 PolarHBondContact N-O 2.77Å; L35-W72 PolarHBondContact O-NE1 3.49Å |
| 36 | Y | 88.8 | Confident | 76.3 | Confident | 197 Ų | 197 | 79.1 Ų | 79.1 | 77% | 0.773 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 154.9 | 163.9 | -72.7 | -75.4 | 0 | 0 | 0 | 109.8 | T38 N44 | Y36-T38 PolarHBondContact O-N 3.4Å; Y36-N44 PolarHBondContact O-ND2 3.32Å |
| 37 | P | 84.9 | Confident | 78 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 130.6 | 179.1 | 27.4 | -32.2 | 0 | 0 | 0 | 110.1 | D39 W72 | P37-D39 VanDerWaalsContact C-N 3.34Å; P37-W72 HydrophobicContact CB-CB 3.75Å; P37-W72 HydrophobicContact CB-CD2 4.28Å; P37-W72 HydrophobicContact CB-CG 3.82Å; P37-W72 VanDerWaalsContact CD-CD1 3.5Å; P37-W72 HydrophobicContact CG-CB 4.49Å; P37-W72 HydrophobicContact CG-CD2 4.09Å; P37-W72 HydrophobicContact CG-CG 4.04Å |
| 38 | T | 87.7 | Confident | 79.5 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -76.6 | -23.3 | 172.6 | 46.3 | 0 | 0 | 0 | 0 | 113.1 | Y36 G43 D47 | Y36-T38 PolarHBondContact O-N 3.4Å; T38-G43 PolarHBondContact N-O 2.89Å; T38-G43 VanDerWaalsContact N-O 3.13Å; T38-G43 PolarHBondContact OG1-O 3.42Å; T38-D47 WeakPolarHBondContact CG2-OD1 3.47Å; T38-D47 WeakPolarHBondContact CG2-OD2 3.48Å; T38-D47 PolarHBondContact OG1-OD2 3.11Å |
| 39 | D | 85.3 | Confident | 80.3 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -134.6 | 140.4 | 174.9 | -177.6 | -87.9 | 0 | 0 | 0 | 110.1 | P37 K41 D42 G43 | P37-D39 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 2.87Å; D39-K41 WeakPolarHBondContact OD1-CA 3.19Å; D39-K41 WeakPolarHBondContact OD1-CB 3.23Å; D39-K41 PolarHBondContact OD1-N 2.97Å; D39-D42 HydrophobicContact CB-CB 4.22Å; D39-D42 PolarHBondContact OD1-N 3.06Å; D39-G43 PolarHBondContact N-O 3.04Å; D39-G43 VanDerWaalsContact O-CA 3.23Å; D39-G43 WeakPolarHBondContact O-CA 3.19Å; D39-G43 PolarHBondContact O-N 3.42Å |
| 40 | E | 76.9 | Confident | 81.4 | Confident | 189 Ų | 189 | 64.9 Ų | 64.9 | 88% | 0.883 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -34.4 | -176.6 | -69.3 | -171.1 | 162.8 | 0 | 0 | 113.4 | ||
| 41 | K | 74.3 | Confident | 82.5 | Confident | 164 Ų | 164 | 63.8 Ų | 63.8 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -40.7 | -176.6 | -176.6 | -171.5 | 172.6 | -167 | 0 | 111 | D39 G74 | D39-K41 PolarHBondContact O-N 2.87Å; D39-K41 WeakPolarHBondContact OD1-CA 3.19Å; D39-K41 WeakPolarHBondContact OD1-CB 3.23Å; D39-K41 PolarHBondContact OD1-N 2.97Å; K41-G74 CarbonylContact O-C 3.51Å; K41-G74 WeakPolarHBondContact O-CA 3.46Å |
| 42 | D | 68.9 | Low | 82.7 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -13.9 | -167.4 | -69.1 | -22.9 | 0 | 0 | 0 | 112.6 | D39 L45 G74 | D39-D42 HydrophobicContact CB-CB 4.22Å; D39-D42 PolarHBondContact OD1-N 3.06Å; D42-L45 HydrophobicContact CB-CB 3.79Å; D42-L45 HydrophobicContact CB-CD2 3.56Å; D42-L45 HydrophobicContact CB-CG 4.26Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-G74 VanDerWaalsContact C-CA 3.47Å; D42-G74 WeakPolarHBondContact O-CA 3.21Å; D42-G74 PolarHBondContact O-N 2.89Å |
| 43 | G | 83.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | 75.2 | -127.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T38 D39 L45 G74 | T38-G43 PolarHBondContact N-O 2.89Å; T38-G43 VanDerWaalsContact N-O 3.13Å; T38-G43 PolarHBondContact OG1-O 3.42Å; D39-G43 PolarHBondContact N-O 3.04Å; D39-G43 VanDerWaalsContact O-CA 3.23Å; D39-G43 WeakPolarHBondContact O-CA 3.19Å; D39-G43 PolarHBondContact O-N 3.42Å; G43-L45 VanDerWaalsContact C-N 3.33Å; G43-G74 WeakPolarHBondContact CA-O 3.34Å |
| 44 | N | 85 | Confident | 81.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 13.3 | 175.9 | -66.4 | 113.1 | 0 | 0 | 0 | 113.4 | Y36 Q46 D47 I48 F57 F71 W72 | Y36-N44 PolarHBondContact O-ND2 3.32Å; N44-Q46 VanDerWaalsContact C-N 3.29Å; N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 VanDerWaalsContact O-N 3.16Å; N44-D47 HydrophobicContact CB-CB 4.37Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD2 3.45Å; N44-D47 WeakPolarHBondContact O-CA 3.3Å; N44-D47 VanDerWaalsContact O-CB 3.31Å; N44-D47 WeakPolarHBondContact O-CB 3.07Å; N44-D47 PolarHBondContact O-N 3.2Å; N44-I48 WeakPolarHBondContact O-CG1 3.39Å; N44-I48 PolarHBondContact O-N 3.21Å; N44-I48 VanDerWaalsContact O-N 3.13Å; N44-F57 HydrophobicContact CB-CZ 4.31Å; N44-F71 HydrophobicContact CB-CD2 4.47Å; N44-W72 WeakPolarHBondContact CB-O 3.32Å; N44-W72 PolarHBondContact N-O 3.46Å; N44-W72 WeakPolarHBondContact OD1-CB 3.2Å; N44-W72 PolarHBondContact OD1-N 2.97Å |
| 45 | L | 76.2 | Confident | 81.7 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -39.7 | -56.7 | -179.4 | -158.3 | 61.1 | 0 | 0 | 0 | 112.9 | V9 I13 D42 G43 D47 I48 I49 F73 | V9-L45 HydrophobicContact CB-CD1 3.67Å; V9-L45 HydrophobicContact CB-CG 3.81Å; V9-L45 HydrophobicContact CG1-CD1 3.48Å; V9-L45 VanDerWaalsContact CG1-CD1 3.48Å; V9-L45 HydrophobicContact CG1-CD2 3.68Å; V9-L45 HydrophobicContact CG1-CG 3.47Å; V9-L45 VanDerWaalsContact CG1-CG 3.47Å; V9-L45 VanDerWaalsContact CG2-C 3.45Å; V9-L45 HydrophobicContact CG2-CB 4.06Å; V9-L45 HydrophobicContact CG2-CD1 3.47Å; V9-L45 VanDerWaalsContact CG2-CD1 3.47Å; V9-L45 HydrophobicContact CG2-CD2 4.35Å; V9-L45 HydrophobicContact CG2-CG 3.27Å; V9-L45 WeakPolarHBondContact CG2-O 3.19Å; V9-L45 WeakPolarHBondContact O-CD1 3.22Å; I13-L45 HydrophobicContact CD1-CD1 4.14Å; I13-L45 HydrophobicContact CD1-CD2 4Å; I13-L45 HydrophobicContact CG1-CD1 4Å; D42-L45 HydrophobicContact CB-CB 3.79Å; D42-L45 HydrophobicContact CB-CD2 3.56Å; D42-L45 HydrophobicContact CB-CG 4.26Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; G43-L45 VanDerWaalsContact C-N 3.33Å; L45-D47 VanDerWaalsContact C-N 3.29Å; L45-D47 PolarHBondContact O-N 3.45Å; L45-I48 PolarHBondContact O-N 2.65Å; L45-I49 PolarHBondContact O-N 2.92Å; L45-F73 HydrophobicContact CD1-CE2 3.29Å; L45-F73 HydrophobicContact CD1-CZ 3.31Å |
| 46 | Q | 77.6 | Confident | 81.6 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | -177.1 | -169.1 | 62.3 | 39.4 | 0 | 0 | 112.7 | N44 I49 N50 | N44-Q46 VanDerWaalsContact C-N 3.29Å; N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-I49 WeakPolarHBondContact O-CB 3.5Å; Q46-I49 WeakPolarHBondContact O-CG2 3.35Å; Q46-I49 PolarHBondContact O-N 2.96Å; Q46-N50 PolarHBondContact NE2-OD1 3.34Å; Q46-N50 WeakPolarHBondContact O-CB 3.09Å; Q46-N50 PolarHBondContact O-N 2.84Å; Q46-N50 PolarHBondContact O-ND2 2.98Å; Q46-N50 PolarHBondContact O-OD1 2.91Å |
| 47 | D | 84.8 | Confident | 81.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.9 | -58.1 | -45.8 | 0 | 0 | 0 | 111.1 | T38 N44 L45 I49 N50 Q51 F57 | T38-D47 WeakPolarHBondContact CG2-OD1 3.47Å; T38-D47 WeakPolarHBondContact CG2-OD2 3.48Å; T38-D47 PolarHBondContact OG1-OD2 3.11Å; N44-D47 HydrophobicContact CB-CB 4.37Å; N44-D47 WeakPolarHBondContact CB-OD2 3.44Å; N44-D47 PolarHBondContact ND2-OD2 3.45Å; N44-D47 WeakPolarHBondContact O-CA 3.3Å; N44-D47 VanDerWaalsContact O-CB 3.31Å; N44-D47 WeakPolarHBondContact O-CB 3.07Å; N44-D47 PolarHBondContact O-N 3.2Å; L45-D47 VanDerWaalsContact C-N 3.29Å; L45-D47 PolarHBondContact O-N 3.45Å; D47-I49 VanDerWaalsContact C-N 3.29Å; D47-I49 PolarHBondContact O-N 3.06Å; D47-N50 PolarHBondContact O-N 2.83Å; D47-Q51 WeakPolarHBondContact O-CG 3.44Å; D47-Q51 PolarHBondContact O-N 2.73Å; D47-F57 HydrophobicContact CB-CD2 4.28Å; D47-F57 HydrophobicContact CB-CE2 3.82Å |
| 48 | I | 81.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 176.4 | -39 | 176.5 | 0 | 0 | 0 | 107.7 | A8 V12 N44 L45 N50 Q51 G52 L54 F57 F71 F73 | A8-I48 HydrophobicContact CB-CB 3.58Å; A8-I48 HydrophobicContact CB-CG2 3.15Å; A8-I48 WeakPolarHBondContact CB-O 3.38Å; A8-I48 WeakPolarHBondContact O-CG2 3.49Å; V12-I48 HydrophobicContact CG2-CD1 4.09Å; N44-I48 WeakPolarHBondContact O-CG1 3.39Å; N44-I48 PolarHBondContact O-N 3.21Å; N44-I48 VanDerWaalsContact O-N 3.13Å; L45-I48 PolarHBondContact O-N 2.65Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.01Å; I48-Q51 PolarHBondContact O-N 3.13Å; I48-Q51 VanDerWaalsContact O-N 3.11Å; I48-G52 PolarHBondContact O-N 3.45Å; I48-L54 HydrophobicContact CD1-CD1 4.16Å; I48-L54 VanDerWaalsContact CG2-CA 3.47Å; I48-L54 HydrophobicContact CG2-CB 4.07Å; I48-L54 HydrophobicContact CG2-CD1 3.98Å; I48-F57 HydrophobicContact CB-CB 4.19Å; I48-F57 HydrophobicContact CB-CD2 4.21Å; I48-F57 HydrophobicContact CB-CG 4.09Å; I48-F57 HydrophobicContact CG1-CB 4.45Å; I48-F57 HydrophobicContact CG1-CD1 3.98Å; I48-F57 HydrophobicContact CG1-CD2 3.92Å; I48-F57 HydrophobicContact CG1-CE1 4.17Å; I48-F57 HydrophobicContact CG1-CE2 4.12Å; I48-F57 HydrophobicContact CG1-CG 3.84Å; I48-F57 HydrophobicContact CG1-CZ 4.23Å; I48-F57 HydrophobicContact CG2-CB 3.46Å; I48-F57 VanDerWaalsContact CG2-CB 3.46Å; I48-F57 HydrophobicContact CG2-CD1 4.22Å; I48-F57 HydrophobicContact CG2-CD2 4.38Å; I48-F57 HydrophobicContact CG2-CG 3.77Å; I48-F71 HydrophobicContact CD1-CE2 4.18Å; I48-F73 HydrophobicContact CD1-CD2 4.42Å; I48-F73 HydrophobicContact CD1-CE2 4.39Å |
| 49 | I | 73.1 | Confident | 82.4 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.7 | -53.5 | 179.8 | -113.1 | 168 | 0 | 0 | 0 | 108.5 | A5 V9 L45 Q46 D47 Q51 G52 | A5-I49 VanDerWaalsContact C-CG1 3.47Å; A5-I49 CarbonylContact C-O 3.53Å; A5-I49 WeakPolarHBondContact CA-O 3.48Å; A5-I49 HydrophobicContact CB-CG2 3.66Å; A5-I49 CarbonylContact O-C 3.53Å; A5-I49 WeakPolarHBondContact O-CA 3.49Å; A5-I49 WeakPolarHBondContact O-CB 3.27Å; A5-I49 WeakPolarHBondContact O-CG1 3.34Å; A5-I49 WeakPolarHBondContact O-CG2 3.46Å; V9-I49 HydrophobicContact CB-CD1 3.61Å; V9-I49 HydrophobicContact CB-CG1 3.64Å; V9-I49 HydrophobicContact CG1-CD1 4Å; V9-I49 HydrophobicContact CG2-CB 3.58Å; V9-I49 HydrophobicContact CG2-CD1 3.11Å; V9-I49 HydrophobicContact CG2-CG1 3.04Å; L45-I49 PolarHBondContact O-N 2.92Å; Q46-I49 WeakPolarHBondContact O-CB 3.5Å; Q46-I49 WeakPolarHBondContact O-CG2 3.35Å; Q46-I49 PolarHBondContact O-N 2.96Å; D47-I49 VanDerWaalsContact C-N 3.29Å; D47-I49 PolarHBondContact O-N 3.06Å; I49-Q51 PolarHBondContact O-N 2.86Å; I49-Q51 VanDerWaalsContact O-N 3.08Å; I49-G52 PolarHBondContact O-N 3.19Å |
| 50 | N | 81.9 | Confident | 82.9 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.8 | -24.6 | -172.7 | -69.4 | -20.7 | 0 | 0 | 0 | 112.7 | Q46 D47 I48 | Q46-N50 PolarHBondContact NE2-OD1 3.34Å; Q46-N50 WeakPolarHBondContact O-CB 3.09Å; Q46-N50 PolarHBondContact O-N 2.84Å; Q46-N50 PolarHBondContact O-ND2 2.98Å; Q46-N50 PolarHBondContact O-OD1 2.91Å; D47-N50 PolarHBondContact O-N 2.83Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.01Å |
| 51 | Q | 83.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.3 | 177.8 | -63.7 | -175.2 | 38.6 | 0 | 0 | 113.3 | D47 I48 I49 S53 E56 F57 N60 | D47-Q51 WeakPolarHBondContact O-CG 3.44Å; D47-Q51 PolarHBondContact O-N 2.73Å; I48-Q51 PolarHBondContact O-N 3.13Å; I48-Q51 VanDerWaalsContact O-N 3.11Å; I49-Q51 PolarHBondContact O-N 2.86Å; I49-Q51 VanDerWaalsContact O-N 3.08Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 3.42Å; Q51-E56 VanDerWaalsContact O-CB 3.3Å; Q51-E56 WeakPolarHBondContact O-CB 3.14Å; Q51-F57 HydrophobicContact CB-CB 4.48Å; Q51-N60 PolarHBondContact OE1-ND2 2.9Å |
| 52 | G | 77.3 | Confident | 85 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 87.2 | -20.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F7 I48 I49 | F7-G52 WeakPolarHBondContact CB-O 3.33Å; F7-G52 WeakPolarHBondContact CD1-O 3.2Å; I48-G52 PolarHBondContact O-N 3.45Å; I49-G52 PolarHBondContact O-N 3.19Å |
| 53 | S | 80.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -162.8 | 163.8 | 167 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | Q51 H55 E56 F57 S444 | Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 3.42Å; S53-H55 PolarHBondContact O-N 3.26Å; S53-H55 PolarHBondContact OG-N 2.83Å; S53-E56 PolarHBondContact O-N 2.91Å; S53-E56 WeakPolarHBondContact OG-CG 3.35Å; S53-E56 PolarHBondContact OG-N 3.37Å; S53-E56 VanDerWaalsContact OG-N 3.07Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.25Å; S53-S444 VanDerWaalsContact CB-O 3.31Å; S53-S444 WeakPolarHBondContact CB-O 3.42Å |
| 54 | L | 84.3 | Confident | 86.9 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -35.6 | 172.2 | 177.6 | 63.5 | 0 | 0 | 0 | 111.4 | F11 V12 I48 F57 L58 F71 V342 | F11-L54 HydrophobicContact CB-CD2 4.26Å; F11-L54 HydrophobicContact CD1-CD2 3.09Å; F11-L54 HydrophobicContact CE1-CD2 3.49Å; F11-L54 VanDerWaalsContact CE1-CD2 3.49Å; F11-L54 HydrophobicContact CG-CD2 3.84Å; V12-L54 HydrophobicContact CG2-CD1 3.93Å; V12-L54 HydrophobicContact CG2-CD2 3.72Å; V12-L54 HydrophobicContact CG2-CG 4.4Å; I48-L54 HydrophobicContact CD1-CD1 4.16Å; I48-L54 VanDerWaalsContact CG2-CA 3.47Å; I48-L54 HydrophobicContact CG2-CB 4.07Å; I48-L54 HydrophobicContact CG2-CD1 3.98Å; L54-F57 HydrophobicContact CD1-CD1 4.12Å; L54-F57 PolarHBondContact O-N 3.19Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CD2 4.38Å; L54-L58 HydrophobicContact CD1-CG 3.97Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.21Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 2.69Å; L54-F71 HydrophobicContact CD1-CZ 4.41Å; L54-V342 HydrophobicContact CD2-CG1 4Å; L54-V342 HydrophobicContact CD2-CG2 4.17Å; L54-V342 HydrophobicContact CG-CG2 4.3Å |
| 55 | H | 89.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | 177 | 175.2 | 46.1 | 0 | 0 | 0 | 111.5 | S53 F57 L58 V59 K338 P341 S444 | S53-H55 PolarHBondContact O-N 3.26Å; S53-H55 PolarHBondContact OG-N 2.83Å; H55-F57 VanDerWaalsContact C-N 3.3Å; H55-F57 PolarHBondContact O-N 3.36Å; H55-L58 PolarHBondContact O-N 3.37Å; H55-L58 VanDerWaalsContact O-N 3.15Å; H55-V59 WeakPolarHBondContact O-CG2 3.27Å; H55-V59 PolarHBondContact O-N 3.15Å; H55-K338 WeakPolarHBondContact NE2-CD 3.31Å; H55-K338 PolarHBondContact NE2-NZ 3.03Å; H55-P341 HydrophobicContact CB-CB 4.09Å; H55-P341 HydrophobicContact CB-CG 4.27Å; H55-S444 PolarHBondContact CD2-OG 3Å; H55-S444 VanDerWaalsContact CD2-OG 3.31Å |
| 56 | E | 89.6 | Confident | 88.3 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 178.5 | -64.5 | -52.3 | 141.3 | 0 | 0 | 111.4 | Q51 S53 L58 V59 N60 | Q51-E56 VanDerWaalsContact O-CB 3.3Å; Q51-E56 WeakPolarHBondContact O-CB 3.14Å; S53-E56 PolarHBondContact O-N 2.91Å; S53-E56 WeakPolarHBondContact OG-CG 3.35Å; S53-E56 PolarHBondContact OG-N 3.37Å; S53-E56 VanDerWaalsContact OG-N 3.07Å; E56-L58 PolarHBondContact O-N 3.3Å; E56-V59 WeakPolarHBondContact O-CB 3.42Å; E56-V59 PolarHBondContact O-N 2.95Å; E56-N60 PolarHBondContact O-N 2.97Å; E56-N60 VanDerWaalsContact O-N 3.09Å; E56-N60 PolarHBondContact O-ND2 3.13Å |
| 57 | F | 91.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 171.5 | 176.7 | -95.4 | 0 | 0 | 0 | 113.2 | L35 N44 D47 I48 Q51 S53 L54 H55 V59 N60 L61 F71 | L35-F57 HydrophobicContact CD1-CE2 3.8Å; L35-F57 HydrophobicContact CD1-CZ 3.82Å; N44-F57 HydrophobicContact CB-CZ 4.31Å; D47-F57 HydrophobicContact CB-CD2 4.28Å; D47-F57 HydrophobicContact CB-CE2 3.82Å; I48-F57 HydrophobicContact CB-CB 4.19Å; I48-F57 HydrophobicContact CB-CD2 4.21Å; I48-F57 HydrophobicContact CB-CG 4.09Å; I48-F57 HydrophobicContact CG1-CB 4.45Å; I48-F57 HydrophobicContact CG1-CD1 3.98Å; I48-F57 HydrophobicContact CG1-CD2 3.92Å; I48-F57 HydrophobicContact CG1-CE1 4.17Å; I48-F57 HydrophobicContact CG1-CE2 4.12Å; I48-F57 HydrophobicContact CG1-CG 3.84Å; I48-F57 HydrophobicContact CG1-CZ 4.23Å; I48-F57 HydrophobicContact CG2-CB 3.46Å; I48-F57 VanDerWaalsContact CG2-CB 3.46Å; I48-F57 HydrophobicContact CG2-CD1 4.22Å; I48-F57 HydrophobicContact CG2-CD2 4.38Å; I48-F57 HydrophobicContact CG2-CG 3.77Å; Q51-F57 HydrophobicContact CB-CB 4.48Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.25Å; L54-F57 HydrophobicContact CD1-CD1 4.12Å; L54-F57 PolarHBondContact O-N 3.19Å; H55-F57 VanDerWaalsContact C-N 3.3Å; H55-F57 PolarHBondContact O-N 3.36Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 2.89Å; F57-N60 PolarHBondContact O-N 3.22Å; F57-L61 HydrophobicContact CE1-CD2 4.18Å; F57-L61 HydrophobicContact CZ-CD1 4.4Å; F57-L61 VanDerWaalsContact O-CB 3.26Å; F57-L61 WeakPolarHBondContact O-CB 3.19Å; F57-L61 PolarHBondContact O-N 3.26Å; F57-F71 HydrophobicContact CE1-CB 4.09Å; F57-F71 AromaticContact CE1-CD1 3.99Å; F57-F71 HydrophobicContact CE1-CD1 3.99Å; F57-F71 AromaticContact CE1-CD2 3.82Å; F57-F71 HydrophobicContact CE1-CD2 3.82Å; F57-F71 HydrophobicContact CE1-CE1 4.35Å; F57-F71 HydrophobicContact CE1-CE2 4.19Å; F57-F71 AromaticContact CE1-CG 3.71Å; F57-F71 HydrophobicContact CE1-CG 3.71Å; F57-F71 HydrophobicContact CE1-CZ 4.44Å; F57-F71 HydrophobicContact CZ-CB 3.95Å; F57-F71 HydrophobicContact CZ-CD2 4.18Å; F57-F71 HydrophobicContact CZ-CG 4.05Å |
| 58 | L | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -33.8 | 178.9 | -68.4 | 172.7 | 0 | 0 | 0 | 112.2 | L54 H55 E56 L61 H62 F71 S80 V342 I365 A367 V370 | L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CD2 4.38Å; L54-L58 HydrophobicContact CD1-CG 3.97Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.21Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 2.69Å; H55-L58 PolarHBondContact O-N 3.37Å; H55-L58 VanDerWaalsContact O-N 3.15Å; E56-L58 PolarHBondContact O-N 3.3Å; L58-L61 HydrophobicContact CD2-CD2 4.14Å; L58-H62 WeakPolarHBondContact O-CB 3.33Å; L58-H62 PolarHBondContact O-CD2 3.07Å; L58-H62 PolarHBondContact O-N 3.26Å; L58-F71 HydrophobicContact CD2-CE1 4.06Å; L58-S80 WeakPolarHBondContact CD2-OG 3.35Å; L58-V342 HydrophobicContact CD1-CG1 4.41Å; L58-V342 HydrophobicContact CD1-CG2 3.91Å; L58-I365 HydrophobicContact CD1-CG2 3.67Å; L58-I365 HydrophobicContact CD2-CG2 4.31Å; L58-A367 HydrophobicContact CB-CB 4.07Å; L58-A367 HydrophobicContact CD1-CB 4Å; L58-A367 HydrophobicContact CG-CB 4.47Å; L58-V370 HydrophobicContact CB-CG2 4.44Å |
| 59 | V | 94.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -52.7 | 173 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | H55 E56 F57 H62 Q63 V370 | H55-V59 WeakPolarHBondContact O-CG2 3.27Å; H55-V59 PolarHBondContact O-N 3.15Å; E56-V59 WeakPolarHBondContact O-CB 3.42Å; E56-V59 PolarHBondContact O-N 2.95Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 2.89Å; V59-H62 PolarHBondContact O-N 3.2Å; V59-Q63 VanDerWaalsContact O-CG 3.29Å; V59-Q63 WeakPolarHBondContact O-CG 3.36Å; V59-Q63 PolarHBondContact O-N 2.9Å; V59-V370 HydrophobicContact CB-CG2 4.45Å; V59-V370 HydrophobicContact CG2-CG2 3.86Å |
| 60 | N | 95.9 | Very high | 91.4 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -41 | -179.5 | -66.7 | -35.5 | 0 | 0 | 0 | 112 | Q51 E56 F57 H62 Q63 E64 | Q51-N60 PolarHBondContact OE1-ND2 2.9Å; E56-N60 PolarHBondContact O-N 2.97Å; E56-N60 VanDerWaalsContact O-N 3.09Å; E56-N60 PolarHBondContact O-ND2 3.13Å; F57-N60 PolarHBondContact O-N 3.22Å; N60-H62 VanDerWaalsContact C-N 3.33Å; N60-H62 PolarHBondContact O-N 2.88Å; N60-Q63 PolarHBondContact O-N 3.39Å; N60-E64 PolarHBondContact O-N 3.15Å |
| 61 | L | 96.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 176.3 | -173.9 | 76.5 | 0 | 0 | 0 | 111.7 | L35 F57 L58 E64 F65 A69 F71 | L35-L61 HydrophobicContact CD1-CD1 3.85Å; L35-L61 HydrophobicContact CG-CD1 3.88Å; F57-L61 HydrophobicContact CE1-CD2 4.18Å; F57-L61 HydrophobicContact CZ-CD1 4.4Å; F57-L61 VanDerWaalsContact O-CB 3.26Å; F57-L61 WeakPolarHBondContact O-CB 3.19Å; F57-L61 PolarHBondContact O-N 3.26Å; L58-L61 HydrophobicContact CD2-CD2 4.14Å; L61-E64 PolarHBondContact O-N 3.28Å; L61-F65 HydrophobicContact CD1-CD2 3.64Å; L61-F65 HydrophobicContact CD1-CE2 3.91Å; L61-F65 HydrophobicContact CG-CD2 4.25Å; L61-F65 WeakPolarHBondContact O-CD2 3.3Å; L61-F65 PolarHBondContact O-N 2.7Å; L61-A69 HydrophobicContact CD1-CB 4.38Å; L61-A69 HydrophobicContact CD2-CB 3.71Å; L61-A69 HydrophobicContact CG-CB 3.68Å; L61-F71 HydrophobicContact CD2-CB 4.49Å; L61-F71 HydrophobicContact CD2-CD1 3.76Å; L61-F71 HydrophobicContact CD2-CE1 4.47Å; L61-F71 HydrophobicContact CD2-CG 4.48Å |
| 62 | H | 97.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 7% | 0.069 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77 | -25.7 | -179.6 | -78.7 | -63.2 | 0 | 0 | 0 | 113.5 | L58 V59 N60 E64 G66 S80 G82 V370 | L58-H62 WeakPolarHBondContact O-CB 3.33Å; L58-H62 PolarHBondContact O-CD2 3.07Å; L58-H62 PolarHBondContact O-N 3.26Å; V59-H62 PolarHBondContact O-N 3.2Å; N60-H62 VanDerWaalsContact C-N 3.33Å; N60-H62 PolarHBondContact O-N 2.88Å; H62-E64 VanDerWaalsContact C-N 3.34Å; H62-G66 PolarHBondContact ND1-O 3.31Å; H62-G66 WeakPolarHBondContact O-CA 3.4Å; H62-G66 PolarHBondContact O-N 3.08Å; H62-G66 VanDerWaalsContact O-N 3.12Å; H62-S80 PolarHBondContact CE1-O 3.38Å; H62-S80 PolarHBondContact NE2-OG 3.02Å; H62-G82 PolarHBondContact CE1-N 3.37Å; H62-V370 HydrophobicContact CB-CG1 4.04Å |
| 63 | Q | 95.8 | Very high | 91.6 | Very high | 148 Ų | 148 | 32.2 Ų | 32.2 | 69% | 0.692 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -65.5 | -37.8 | 168.6 | -75.7 | 175.2 | 3.9 | 0 | 0 | 111.8 | V59 N60 | V59-Q63 VanDerWaalsContact O-CG 3.29Å; V59-Q63 WeakPolarHBondContact O-CG 3.36Å; V59-Q63 PolarHBondContact O-N 2.9Å; N60-Q63 PolarHBondContact O-N 3.39Å |
| 64 | E | 96.6 | Very high | 91.1 | Very high | 132 Ų | 132 | 32.5 Ų | 32.5 | 62% | 0.617 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -82.3 | -46 | -177.9 | -172.7 | 176.4 | 172 | 0 | 0 | 113.2 | N60 L61 H62 | N60-E64 PolarHBondContact O-N 3.15Å; L61-E64 PolarHBondContact O-N 3.28Å; H62-E64 VanDerWaalsContact C-N 3.34Å |
| 65 | F | 96 | Very high | 90.5 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -106.9 | -1.7 | -169.3 | -60.6 | -74.2 | 0 | 0 | 0 | 114.5 | P33 L35 L61 A69 | P33-F65 HydrophobicContact CB-CB 4.32Å; P33-F65 HydrophobicContact CB-CD1 4.06Å; P33-F65 HydrophobicContact CG-CB 4.43Å; L35-F65 HydrophobicContact CD2-CE2 3.77Å; L35-F65 HydrophobicContact CD2-CZ 3.84Å; L35-F65 HydrophobicContact CG-CE2 3.81Å; L35-F65 HydrophobicContact CG-CZ 4.24Å; L61-F65 HydrophobicContact CD1-CD2 3.64Å; L61-F65 HydrophobicContact CD1-CE2 3.91Å; L61-F65 HydrophobicContact CG-CD2 4.25Å; L61-F65 WeakPolarHBondContact O-CD2 3.3Å; L61-F65 PolarHBondContact O-N 2.7Å; F65-A69 HydrophobicContact CB-CB 3.87Å |
| 66 | G | 94.9 | Very high | 89.7 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 36% | 0.361 | 21% | 0.205 | S | C | . | . | trans | 81.1 | -161 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H62 V68 | H62-G66 PolarHBondContact ND1-O 3.31Å; H62-G66 WeakPolarHBondContact O-CA 3.4Å; H62-G66 PolarHBondContact O-N 3.08Å; H62-G66 VanDerWaalsContact O-N 3.12Å; G66-V68 PolarHBondContact O-N 3.4Å | ||
| 67 | S | 94.9 | Very high | 89.4 | Confident | 42 Ų | 42 | 33.7 Ų | 33.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -74.8 | -18 | -166.5 | 59.9 | 0 | 0 | 0 | 0 | 115.9 | L81 G82 Q86 | S67-L81 WeakPolarHBondContact O-CA 3.34Å; S67-G82 PolarHBondContact O-N 3.49Å; S67-Q86 VanDerWaalsContact OG-CD 3.3Å; S67-Q86 PolarHBondContact OG-OE1 3.26Å |
| 68 | V | 95.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 110.5 | 170 | -168.1 | 0 | 0 | 0 | 0 | 107.7 | V32 P33 G66 V79 L81 Q86 V353 D354 | V32-V68 HydrophobicContact CG1-CG1 3.84Å; P33-V68 VanDerWaalsContact CG-O 3.31Å; P33-V68 WeakPolarHBondContact CG-O 3.42Å; G66-V68 PolarHBondContact O-N 3.4Å; V68-V79 HydrophobicContact CG1-CG1 4.16Å; V68-L81 HydrophobicContact CG1-CD2 3.91Å; V68-L81 HydrophobicContact CG2-CD2 4.29Å; V68-Q86 HydrophobicContact CG2-CB 4.3Å; V68-Q86 HydrophobicContact CG2-CG 3.37Å; V68-V353 HydrophobicContact CG2-CG1 3.93Å; V68-D354 WeakPolarHBondContact CG2-OD2 3.47Å |
| 69 | A | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P33 L61 F65 V79 S80 | P33-A69 CarbonylContact O-C 2.99Å; P33-A69 VanDerWaalsContact O-CA 3.32Å; P33-A69 WeakPolarHBondContact O-CA 3.29Å; L61-A69 HydrophobicContact CD1-CB 4.38Å; L61-A69 HydrophobicContact CD2-CB 3.71Å; L61-A69 HydrophobicContact CG-CB 3.68Å; F65-A69 HydrophobicContact CB-CB 3.87Å; A69-V79 CarbonylContact O-C 3.57Å; A69-S80 PolarHBondContact N-O 2.9Å; A69-S80 PolarHBondContact O-N 2.85Å |
| 70 | S | 94.1 | Very high | 89.1 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 153.1 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | V32 P33 G34 L35 V78 | V32-S70 PolarHBondContact O-OG 2.99Å; P33-S70 PolarHBondContact O-N 3.25Å; P33-S70 PolarHBondContact O-OG 2.91Å; P33-S70 VanDerWaalsContact O-OG 3.07Å; G34-S70 CarbonylContact C-O 3.35Å; G34-S70 WeakPolarHBondContact CA-O 3.34Å; L35-S70 PolarHBondContact N-O 2.77Å; S70-V78 WeakPolarHBondContact CA-O 3.22Å; S70-V78 WeakPolarHBondContact CB-O 3.4Å |
| 71 | F | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 177.6 | 170.6 | 67.6 | -81.1 | 0 | 0 | 0 | 107.7 | V12 N44 I48 L54 F57 L58 L61 V78 I365 | V12-F71 HydrophobicContact CG1-CE2 4.44Å; N44-F71 HydrophobicContact CB-CD2 4.47Å; I48-F71 HydrophobicContact CD1-CE2 4.18Å; L54-F71 HydrophobicContact CD1-CZ 4.41Å; F57-F71 HydrophobicContact CE1-CB 4.09Å; F57-F71 AromaticContact CE1-CD1 3.99Å; F57-F71 HydrophobicContact CE1-CD1 3.99Å; F57-F71 AromaticContact CE1-CD2 3.82Å; F57-F71 HydrophobicContact CE1-CD2 3.82Å; F57-F71 HydrophobicContact CE1-CE1 4.35Å; F57-F71 HydrophobicContact CE1-CE2 4.19Å; F57-F71 AromaticContact CE1-CG 3.71Å; F57-F71 HydrophobicContact CE1-CG 3.71Å; F57-F71 HydrophobicContact CE1-CZ 4.44Å; F57-F71 HydrophobicContact CZ-CB 3.95Å; F57-F71 HydrophobicContact CZ-CD2 4.18Å; F57-F71 HydrophobicContact CZ-CG 4.05Å; L58-F71 HydrophobicContact CD2-CE1 4.06Å; L61-F71 HydrophobicContact CD2-CB 4.49Å; L61-F71 HydrophobicContact CD2-CD1 3.76Å; L61-F71 HydrophobicContact CD2-CE1 4.47Å; L61-F71 HydrophobicContact CD2-CG 4.48Å; F71-V78 HydrophobicContact CD1-CB 4.17Å; F71-V78 HydrophobicContact CD1-CG1 4.25Å; F71-V78 HydrophobicContact CD2-CB 4.44Å; F71-V78 HydrophobicContact CE1-CB 3.88Å; F71-V78 HydrophobicContact CE1-CG1 3.52Å; F71-V78 HydrophobicContact CE2-CB 4.17Å; F71-V78 HydrophobicContact CE2-CG1 4.32Å; F71-V78 HydrophobicContact CE2-CG2 4.33Å; F71-V78 HydrophobicContact CG-CB 4.45Å; F71-V78 HydrophobicContact CZ-CB 3.89Å; F71-V78 HydrophobicContact CZ-CG1 3.57Å; F71-V78 HydrophobicContact CZ-CG2 4.37Å; F71-V78 PolarHBondContact N-O 2.83Å; F71-V78 PolarHBondContact O-N 3.14Å; F71-I365 HydrophobicContact CZ-CG1 4.38Å |
| 72 | W | 84.8 | Confident | 89 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.4 | -176.1 | -70.6 | 72.3 | 0 | 0 | 0 | 110.8 | R28 L35 P37 N44 G75 R76 P77 | R28-W72 HydrophobicContact CG-CH2 4.35Å; L35-W72 PolarHBondContact O-NE1 3.49Å; P37-W72 HydrophobicContact CB-CB 3.75Å; P37-W72 HydrophobicContact CB-CD2 4.28Å; P37-W72 HydrophobicContact CB-CG 3.82Å; P37-W72 VanDerWaalsContact CD-CD1 3.5Å; P37-W72 HydrophobicContact CG-CB 4.49Å; P37-W72 HydrophobicContact CG-CD2 4.09Å; P37-W72 HydrophobicContact CG-CG 4.04Å; N44-W72 WeakPolarHBondContact CB-O 3.32Å; N44-W72 PolarHBondContact N-O 3.46Å; N44-W72 WeakPolarHBondContact OD1-CB 3.2Å; N44-W72 PolarHBondContact OD1-N 2.97Å; W72-G75 WeakPolarHBondContact CZ3-O 3.5Å; W72-R76 WeakPolarHBondContact CA-O 3.38Å; W72-P77 HydrophobicContact CH2-CB 4.48Å; W72-P77 HydrophobicContact CZ2-CB 4.42Å |
| 73 | F | 70.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 111.9 | 171.7 | -158.9 | -84.3 | 0 | 0 | 0 | 112 | V12 I13 V16 L45 I48 G75 R76 V78 | V12-F73 HydrophobicContact CB-CD1 4.12Å; V12-F73 HydrophobicContact CB-CD2 3.19Å; V12-F73 HydrophobicContact CB-CE1 4.17Å; V12-F73 HydrophobicContact CB-CE2 3.2Å; V12-F73 HydrophobicContact CB-CG 3.64Å; V12-F73 HydrophobicContact CB-CZ 3.66Å; V12-F73 HydrophobicContact CG1-CB 3.58Å; V12-F73 HydrophobicContact CG1-CD1 3.7Å; V12-F73 HydrophobicContact CG1-CD2 2.99Å; V12-F73 HydrophobicContact CG1-CE1 4.26Å; V12-F73 HydrophobicContact CG1-CE2 3.61Å; V12-F73 HydrophobicContact CG1-CG 3Å; V12-F73 HydrophobicContact CG1-CZ 4.14Å; V12-F73 HydrophobicContact CG2-CD2 4.07Å; V12-F73 HydrophobicContact CG2-CE2 4.12Å; V12-F73 WeakPolarHBondContact O-CD1 3.39Å; V12-F73 VanDerWaalsContact O-CE1 3.31Å; V12-F73 WeakPolarHBondContact O-CE1 3.46Å; I13-F73 VanDerWaalsContact CA-CZ 3.47Å; I13-F73 HydrophobicContact CB-CE1 3.86Å; I13-F73 HydrophobicContact CB-CZ 3.92Å; I13-F73 HydrophobicContact CD1-CZ 4.46Å; I13-F73 HydrophobicContact CG1-CE1 3.55Å; I13-F73 HydrophobicContact CG1-CE2 4.48Å; I13-F73 HydrophobicContact CG1-CZ 3.25Å; V16-F73 HydrophobicContact CB-CD1 3.63Å; V16-F73 HydrophobicContact CB-CE1 4.25Å; V16-F73 HydrophobicContact CG1-CD1 3.91Å; V16-F73 HydrophobicContact CG2-CB 4.02Å; V16-F73 HydrophobicContact CG2-CD1 3.48Å; V16-F73 VanDerWaalsContact CG2-CD1 3.48Å; V16-F73 HydrophobicContact CG2-CE1 4.45Å; V16-F73 HydrophobicContact CG2-CG 3.95Å; L45-F73 HydrophobicContact CD1-CE2 3.29Å; L45-F73 HydrophobicContact CD1-CZ 3.31Å; I48-F73 HydrophobicContact CD1-CD2 4.42Å; I48-F73 HydrophobicContact CD1-CE2 4.39Å; F73-G75 PolarHBondContact O-N 3.48Å; F73-R76 PolarHBondContact N-O 2.88Å; F73-R76 PolarHBondContact O-N 2.99Å; F73-V78 HydrophobicContact CB-CG2 3.59Å |
| 74 | G | 70.4 | Confident | 88.7 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -136.7 | -157.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K41 D42 G43 R76 | K41-G74 CarbonylContact O-C 3.51Å; K41-G74 WeakPolarHBondContact O-CA 3.46Å; D42-G74 VanDerWaalsContact C-CA 3.47Å; D42-G74 WeakPolarHBondContact O-CA 3.21Å; D42-G74 PolarHBondContact O-N 2.89Å; G43-G74 WeakPolarHBondContact CA-O 3.34Å; G74-R76 PolarHBondContact O-N 3.36Å |
| 75 | G | 71.5 | Confident | 88.5 | Confident | 59 Ų | 59 | 20.5 Ų | 20.5 | 61% | 0.608 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 11.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | W72 F73 | W72-G75 WeakPolarHBondContact CZ3-O 3.5Å; F73-G75 PolarHBondContact O-N 3.48Å |
| 76 | R | 72.6 | Confident | 88.3 | Confident | 35 Ų | 35 | 18.9 Ų | 18.9 | 13% | 0.132 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.9 | -174 | -67.4 | -171 | 168 | -166.8 | -3.4 | 113.1 | V19 L20 Y23 W72 F73 G74 | V19-R76 PolarHBondContact O-NH1 3.34Å; L20-R76 VanDerWaalsContact CA-NH1 3.33Å; L20-R76 VanDerWaalsContact CG-CZ 3.44Å; Y23-R76 PolarHBondContact O-NH1 3.4Å; Y23-R76 PolarHBondContact O-NH2 2.94Å; W72-R76 WeakPolarHBondContact CA-O 3.38Å; F73-R76 PolarHBondContact N-O 2.88Å; F73-R76 PolarHBondContact O-N 2.99Å; G74-R76 PolarHBondContact O-N 3.36Å |
| 77 | P | 81.6 | Confident | 88.1 | Confident | 19 Ų | 19 | 17.2 Ų | 17.2 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.8 | 170.6 | 30.6 | -33.4 | 0 | 0 | 0 | 110.5 | W72 | W72-P77 HydrophobicContact CH2-CB 4.48Å; W72-P77 HydrophobicContact CZ2-CB 4.42Å |
| 78 | V | 86.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.5 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | S70 F71 F73 L363 I365 | S70-V78 WeakPolarHBondContact CA-O 3.22Å; S70-V78 WeakPolarHBondContact CB-O 3.4Å; F71-V78 HydrophobicContact CD1-CB 4.17Å; F71-V78 HydrophobicContact CD1-CG1 4.25Å; F71-V78 HydrophobicContact CD2-CB 4.44Å; F71-V78 HydrophobicContact CE1-CB 3.88Å; F71-V78 HydrophobicContact CE1-CG1 3.52Å; F71-V78 HydrophobicContact CE2-CB 4.17Å; F71-V78 HydrophobicContact CE2-CG1 4.32Å; F71-V78 HydrophobicContact CE2-CG2 4.33Å; F71-V78 HydrophobicContact CG-CB 4.45Å; F71-V78 HydrophobicContact CZ-CB 3.89Å; F71-V78 HydrophobicContact CZ-CG1 3.57Å; F71-V78 HydrophobicContact CZ-CG2 4.37Å; F71-V78 PolarHBondContact N-O 2.83Å; F71-V78 PolarHBondContact O-N 3.14Å; F73-V78 HydrophobicContact CB-CG2 3.59Å; V78-L363 WeakPolarHBondContact CA-O 3.11Å; V78-L363 HydrophobicContact CG1-CB 4.45Å; V78-L363 HydrophobicContact CG1-CD2 4.27Å; V78-L363 HydrophobicContact CG1-CG 4.29Å; V78-L363 HydrophobicContact CG2-CB 4.34Å; V78-L363 HydrophobicContact CG2-CD2 4.04Å; V78-I365 HydrophobicContact CG1-CB 4.37Å; V78-I365 HydrophobicContact CG1-CG1 3.55Å |
| 79 | V | 92.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.9 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 108 | A29 V32 V68 A69 L81 I358 T362 L363 V364 I365 | A29-V79 HydrophobicContact CB-CG2 4.12Å; V32-V79 HydrophobicContact CG2-CG2 4.36Å; V68-V79 HydrophobicContact CG1-CG1 4.16Å; A69-V79 CarbonylContact O-C 3.57Å; V79-L81 HydrophobicContact CG1-CD2 3.91Å; V79-I358 HydrophobicContact CG1-CD1 3.97Å; V79-T362 HydrophobicContact CB-CG2 4.45Å; V79-T362 HydrophobicContact CG2-CG2 3.92Å; V79-L363 PolarHBondContact N-O 3.4Å; V79-V364 CarbonylContact O-C 3.57Å; V79-V364 VanDerWaalsContact O-CA 3.25Å; V79-V364 WeakPolarHBondContact O-CA 3.29Å; V79-I365 PolarHBondContact O-N 2.81Å |
| 80 | S | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.9 | 171.6 | -158.4 | 0 | 0 | 0 | 0 | 111.7 | L58 H62 A69 I365 | L58-S80 WeakPolarHBondContact CD2-OG 3.35Å; H62-S80 PolarHBondContact CE1-O 3.38Å; H62-S80 PolarHBondContact NE2-OG 3.02Å; A69-S80 PolarHBondContact N-O 2.9Å; A69-S80 PolarHBondContact O-N 2.85Å; S80-I365 CarbonylContact C-O 3.49Å; S80-I365 WeakPolarHBondContact CA-O 3.3Å; S80-I365 PolarHBondContact OG-O 2.91Å; S80-I365 VanDerWaalsContact OG-O 3.05Å |
| 81 | L | 95.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.1 | 179.4 | -51.6 | -178.3 | 0 | 0 | 0 | 109.3 | S67 V68 V79 Q86 L87 H90 V353 V364 I365 Y366 A367 | S67-L81 WeakPolarHBondContact O-CA 3.34Å; V68-L81 HydrophobicContact CG1-CD2 3.91Å; V68-L81 HydrophobicContact CG2-CD2 4.29Å; V79-L81 HydrophobicContact CG1-CD2 3.91Å; L81-Q86 HydrophobicContact CD2-CB 4.42Å; L81-L87 HydrophobicContact CB-CD1 3.38Å; L81-L87 HydrophobicContact CB-CG 4.44Å; L81-L87 HydrophobicContact CD1-CD1 4.43Å; L81-L87 WeakPolarHBondContact O-CD1 3.42Å; L81-H90 HydrophobicContact CD1-CB 3.48Å; L81-H90 VanDerWaalsContact CD1-CB 3.48Å; L81-V353 HydrophobicContact CD2-CG1 4.01Å; L81-V364 HydrophobicContact CD1-CG1 3.85Å; L81-V364 HydrophobicContact CG-CG1 3.93Å; L81-I365 PolarHBondContact N-O 3.46Å; L81-Y366 HydrophobicContact CD1-CD1 4.26Å; L81-Y366 HydrophobicContact CD1-CE1 3.97Å; L81-A367 PolarHBondContact O-N 2.78Å |
| 82 | G | 95.3 | Very high | 84.4 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | trans | -117.5 | 11 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | H62 S67 V371 | H62-G82 PolarHBondContact CE1-N 3.37Å; S67-G82 PolarHBondContact O-N 3.49Å; G82-V371 VanDerWaalsContact C-CG2 3.46Å | ||
| 83 | S | 94.6 | Very high | 82.8 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -137.9 | 156.3 | 174.8 | 94.1 | 0 | 0 | 0 | 0 | 112.7 | T85 Q86 L87 | S83-T85 PolarHBondContact O-N 3.3Å; S83-T85 PolarHBondContact OG-N 3.39Å; S83-T85 VanDerWaalsContact OG-N 3.16Å; S83-Q86 PolarHBondContact O-N 3.17Å; S83-Q86 PolarHBondContact OG-N 3.44Å; S83-Q86 PolarHBondContact OG-OE1 3.46Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CD1 3.4Å; S83-L87 PolarHBondContact O-N 3.46Å; S83-L87 VanDerWaalsContact O-N 3.07Å |
| 84 | V | 92.3 | Very high | 81.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.6 | -37.7 | 173.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | L87 K88 V371 T377 L400 | V84-L87 PolarHBondContact O-N 2.67Å; V84-K88 HydrophobicContact CG1-CD 4.16Å; V84-K88 VanDerWaalsContact CG1-CE 3.46Å; V84-K88 HydrophobicContact CG1-CG 4.39Å; V84-K88 VanDerWaalsContact O-CG 3.31Å; V84-K88 WeakPolarHBondContact O-CG 3.19Å; V84-K88 PolarHBondContact O-N 3.48Å; V84-V371 HydrophobicContact CG2-CG1 3.46Å; V84-V371 VanDerWaalsContact CG2-CG1 3.46Å; V84-T377 HydrophobicContact CG2-CG2 3.65Å; V84-L400 HydrophobicContact CG1-CD2 3.9Å |
| 85 | T | 92.3 | Very high | 80.7 | Confident | 84 Ų | 84 | 44.3 Ų | 44.3 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -50.3 | -177.1 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S83 K88 Q89 | S83-T85 PolarHBondContact O-N 3.3Å; S83-T85 PolarHBondContact OG-N 3.39Å; S83-T85 VanDerWaalsContact OG-N 3.16Å; T85-K88 WeakPolarHBondContact O-CB 3.44Å; T85-K88 PolarHBondContact O-N 2.82Å; T85-Q89 WeakPolarHBondContact O-CG 3.06Å; T85-Q89 PolarHBondContact O-N 2.72Å |
| 86 | Q | 92.1 | Very high | 79.7 | Confident | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 179.3 | -81.3 | 65.3 | 58.9 | 0 | 0 | 111.6 | S67 V68 L81 S83 K88 Q89 H90 V353 D354 | S67-Q86 VanDerWaalsContact OG-CD 3.3Å; S67-Q86 PolarHBondContact OG-OE1 3.26Å; V68-Q86 HydrophobicContact CG2-CB 4.3Å; V68-Q86 HydrophobicContact CG2-CG 3.37Å; L81-Q86 HydrophobicContact CD2-CB 4.42Å; S83-Q86 PolarHBondContact O-N 3.17Å; S83-Q86 PolarHBondContact OG-N 3.44Å; S83-Q86 PolarHBondContact OG-OE1 3.46Å; Q86-K88 VanDerWaalsContact C-N 3.34Å; Q86-K88 PolarHBondContact O-N 3.12Å; Q86-Q89 PolarHBondContact O-N 3Å; Q86-H90 PolarHBondContact O-N 3.19Å; Q86-H90 VanDerWaalsContact O-N 3.09Å; Q86-V353 HydrophobicContact CB-CG1 3.88Å; Q86-V353 HydrophobicContact CG-CG1 3.79Å; Q86-D354 VanDerWaalsContact CG-OD2 3.3Å; Q86-D354 WeakPolarHBondContact CG-OD2 3.49Å; Q86-D354 VanDerWaalsContact NE2-CG 3.29Å; Q86-D354 PolarHBondContact NE2-OD1 3.04Å; Q86-D354 PolarHBondContact NE2-OD2 2.95Å |
| 87 | L | 90.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.2 | -93.2 | 71.2 | 0 | 0 | 0 | 111.2 | L81 S83 V84 Q89 H90 I91 Y366 L368 V371 L401 | L81-L87 HydrophobicContact CB-CD1 3.38Å; L81-L87 HydrophobicContact CB-CG 4.44Å; L81-L87 HydrophobicContact CD1-CD1 4.43Å; L81-L87 WeakPolarHBondContact O-CD1 3.42Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 WeakPolarHBondContact O-CD1 3.4Å; S83-L87 PolarHBondContact O-N 3.46Å; S83-L87 VanDerWaalsContact O-N 3.07Å; V84-L87 PolarHBondContact O-N 2.67Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.99Å; L87-H90 PolarHBondContact O-N 3.27Å; L87-I91 HydrophobicContact CB-CD1 4.43Å; L87-I91 WeakPolarHBondContact O-CB 3.44Å; L87-I91 WeakPolarHBondContact O-CD1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.26Å; L87-I91 PolarHBondContact O-N 2.63Å; L87-Y366 HydrophobicContact CD1-CD1 4.42Å; L87-Y366 HydrophobicContact CD2-CD2 3.9Å; L87-Y366 HydrophobicContact CD2-CE2 4.44Å; L87-Y366 HydrophobicContact CD2-CG 3.94Å; L87-Y366 HydrophobicContact CG-CD1 4.11Å; L87-Y366 HydrophobicContact CG-CD2 4.21Å; L87-Y366 HydrophobicContact CG-CE1 4.39Å; L87-Y366 HydrophobicContact CG-CE2 4.45Å; L87-Y366 HydrophobicContact CG-CG 4.03Å; L87-L368 HydrophobicContact CD2-CD2 4.07Å; L87-V371 HydrophobicContact CD1-CG2 4.31Å; L87-L401 HydrophobicContact CD2-CD2 3.37Å |
| 88 | K | 88.6 | Confident | 77.9 | Confident | 114 Ų | 114 | 46.2 Ų | 46.2 | 50% | 0.496 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 176.3 | -75.4 | 175.3 | -177.6 | 165.3 | 0 | 112.7 | V84 T85 Q86 L400 | V84-K88 HydrophobicContact CG1-CD 4.16Å; V84-K88 VanDerWaalsContact CG1-CE 3.46Å; V84-K88 HydrophobicContact CG1-CG 4.39Å; V84-K88 VanDerWaalsContact O-CG 3.31Å; V84-K88 WeakPolarHBondContact O-CG 3.19Å; V84-K88 PolarHBondContact O-N 3.48Å; T85-K88 WeakPolarHBondContact O-CB 3.44Å; T85-K88 PolarHBondContact O-N 2.82Å; Q86-K88 VanDerWaalsContact C-N 3.34Å; Q86-K88 PolarHBondContact O-N 3.12Å; K88-L400 HydrophobicContact CB-CD2 4.4Å; K88-L400 HydrophobicContact CD-CD2 4.1Å; K88-L400 HydrophobicContact CG-CD1 3.98Å; K88-L400 HydrophobicContact CG-CD2 3.24Å; K88-L400 HydrophobicContact CG-CG 4.23Å |
| 89 | Q | 89.1 | Confident | 76.6 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68 | -36.8 | 178.9 | -65 | 172.6 | 7.8 | 0 | 0 | 112 | T85 Q86 L87 D354 | T85-Q89 WeakPolarHBondContact O-CG 3.06Å; T85-Q89 PolarHBondContact O-N 2.72Å; Q86-Q89 PolarHBondContact O-N 3Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.99Å; Q89-D354 PolarHBondContact NE2-OD1 3.17Å; Q89-D354 PolarHBondContact OE1-OD1 2.92Å |
| 90 | H | 86.7 | Confident | 75.4 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.3 | -33.9 | 180 | -175.9 | -96.3 | 0 | 0 | 0 | 113.6 | L81 Q86 L87 N92 Q347 V353 V364 Y366 | L81-H90 HydrophobicContact CD1-CB 3.48Å; L81-H90 VanDerWaalsContact CD1-CB 3.48Å; Q86-H90 PolarHBondContact O-N 3.19Å; Q86-H90 VanDerWaalsContact O-N 3.09Å; L87-H90 PolarHBondContact O-N 3.27Å; H90-N92 PolarHBondContact O-N 3.41Å; H90-Q347 PolarHBondContact NE2-OE1 3.08Å; H90-V353 HydrophobicContact CB-CG2 3.78Å; H90-V364 WeakPolarHBondContact NE2-CG2 3.45Å; H90-Y366 AromaticContact ND1-CE1 3.41Å; H90-Y366 WeakPolarHBondContact ND1-CE1 3.34Å; H90-Y366 AromaticContact ND1-CZ 3.52Å; H90-Y366 PolarHBondContact ND1-OH 2.78Å |
| 91 | I | 70.3 | Confident | 74.2 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | trans | -57.9 | 107.5 | -174.7 | -76.7 | 161.6 | 0 | 0 | 0 | 109.9 | L87 P93 Y366 L400 | L87-I91 HydrophobicContact CB-CD1 4.43Å; L87-I91 WeakPolarHBondContact O-CB 3.44Å; L87-I91 WeakPolarHBondContact O-CD1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.26Å; L87-I91 PolarHBondContact O-N 2.63Å; I91-P93 WeakPolarHBondContact O-CD 3.22Å; I91-Y366 HydrophobicContact CG1-CE2 4.41Å; I91-L400 HydrophobicContact CD1-CD1 3.51Å; I91-L400 HydrophobicContact CD1-CD2 4.06Å; I91-L400 HydrophobicContact CD1-CG 3.55Å | ||
| 92 | N | 61.1 | Low | 72.8 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | trans | -89.1 | 113.4 | 171.2 | -172.4 | -20.2 | 0 | 0 | 0 | 108.8 | H90 N94 | H90-N92 PolarHBondContact O-N 3.41Å; N92-N94 PolarHBondContact O-N 3.11Å; N92-N94 WeakPolarHBondContact OD1-CB 3.26Å; N92-N94 PolarHBondContact OD1-N 2.89Å | ||
| 93 | P | 51.7 | Low | 71.5 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 72% | 0.721 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.3 | -178.6 | 25.7 | -33.2 | 0 | 0 | 0 | 114.1 | I91 | I91-P93 WeakPolarHBondContact O-CD 3.22Š|
| 94 | N | 41.6 | Very low | 70.5 | Confident | 130 Ų | 130 | 52.3 Ų | 52.3 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.7 | -173.7 | -64.1 | -27.2 | 0 | 0 | 0 | 115 | N92 | N92-N94 PolarHBondContact O-N 3.11Å; N92-N94 WeakPolarHBondContact OD1-CB 3.26Å; N92-N94 PolarHBondContact OD1-N 2.89Å |
| 95 | H | 54.8 | Low | 69.7 | Low | 102 Ų | 102 | 52.7 Ų | 52.7 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | trans | -113.8 | 145.5 | -175.6 | -113.1 | -87.2 | 0 | 0 | 0 | 115.7 | A348 | H95-A348 WeakPolarHBondContact CE1-CB 3.44Å; H95-A348 WeakPolarHBondContact NE2-CB 3.47Å | ||
| 96 | T | 51.8 | Low | 68.6 | Low | 30 Ų | 30 | 50.9 Ų | 50.9 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | trans | -131.1 | -3.7 | -147.4 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | S121 V122 | T96-S121 WeakPolarHBondContact CB-OG 3.45Å; T96-S121 PolarHBondContact OG1-OG 3.36Å; T96-V122 HydrophobicContact CG2-CG2 3.18Å | ||
| 97 | T | 53.2 | Low | 67.6 | Low | 87 Ų | 87 | 50.4 Ų | 50.4 | 53% | 0.534 | 27% | 0.27 | S | S | . | . | trans | -92.9 | 124.4 | 178.7 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | S99 | T97-S99 PolarHBondContact O-N 3.32Š| ||
| 98 | D | 62 | Low | 66.9 | Low | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | trans | -74.4 | 104.2 | 170.5 | -166.5 | -27.2 | 0 | 0 | 0 | 109 | F100 E101 T102 | D98-F100 PolarHBondContact O-N 2.71Å; D98-F100 WeakPolarHBondContact OD1-CB 3.5Å; D98-F100 PolarHBondContact OD1-N 3.49Å; D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.3Å; D98-E101 PolarHBondContact OD1-N 3.49Å; D98-T102 WeakPolarHBondContact O-CB 3.31Å; D98-T102 PolarHBondContact O-N 2.99Å; D98-T102 PolarHBondContact O-OG1 2.75Å | ||
| 99 | S | 61 | Low | 66.2 | Low | 21 Ų | 21 | 48.2 Ų | 48.2 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -31.7 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | T97 M103 A344 R345 | T97-S99 PolarHBondContact O-N 3.32Å; S99-M103 VanDerWaalsContact O-CB 3.26Å; S99-M103 WeakPolarHBondContact O-CB 3.17Å; S99-M103 PolarHBondContact O-N 2.86Å; S99-A344 WeakPolarHBondContact CB-O 3.09Å; S99-A344 PolarHBondContact OG-O 3Å; S99-R345 PolarHBondContact OG-NH1 2.94Å |
| 100 | F | 65.6 | Low | 65.7 | Low | 41 Ų | 41 | 44.4 Ų | 44.4 | 18% | 0.18 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.4 | -46.7 | -177.2 | 178.9 | -98.2 | 0 | 0 | 0 | 110.6 | D98 T102 M103 L104 A276 L446 | D98-F100 PolarHBondContact O-N 2.71Å; D98-F100 WeakPolarHBondContact OD1-CB 3.5Å; D98-F100 PolarHBondContact OD1-N 3.49Å; F100-T102 VanDerWaalsContact C-N 3.32Å; F100-T102 PolarHBondContact O-N 2.93Å; F100-M103 WeakPolarHBondContact O-CB 3.36Å; F100-M103 PolarHBondContact O-N 3.05Å; F100-L104 WeakPolarHBondContact O-CB 3.2Å; F100-L104 PolarHBondContact O-N 2.74Å; F100-A276 HydrophobicContact CE1-CB 3.77Å; F100-A276 HydrophobicContact CZ-CB 4.12Å; F100-L446 HydrophobicContact CE2-CD2 4.26Å |
| 101 | E | 68.3 | Low | 64.6 | Low | 33 Ų | 33 | 47.6 Ų | 47.6 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.3 | -177.4 | -171.8 | 165.3 | 0 | 0 | 111.1 | D98 M103 L104 K105 V272 | D98-E101 HydrophobicContact CB-CB 3.96Å; D98-E101 PolarHBondContact O-N 3.3Å; D98-E101 PolarHBondContact OD1-N 3.49Å; E101-M103 VanDerWaalsContact C-N 3.33Å; E101-M103 PolarHBondContact O-N 2.9Å; E101-L104 PolarHBondContact O-N 3.27Å; E101-K105 HydrophobicContact CG-CD 4.13Å; E101-K105 HydrophobicContact CG-CG 4.47Å; E101-K105 WeakPolarHBondContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CG 3.34Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 WeakPolarHBondContact OE1-CE 3.12Å; E101-K105 IonicContact OE1-NZ 2.8Å; E101-K105 PolarHBondContact OE1-NZ 3.08Å; E101-V272 HydrophobicContact CG-CG1 4.27Å |
| 102 | T | 67.3 | Low | 64 | Low | 46 Ų | 46 | 47.4 Ų | 47.4 | 28% | 0.282 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | D98 F100 S106 | D98-T102 WeakPolarHBondContact O-CB 3.31Å; D98-T102 PolarHBondContact O-N 2.99Å; D98-T102 PolarHBondContact O-OG1 2.75Å; F100-T102 VanDerWaalsContact C-N 3.32Å; F100-T102 PolarHBondContact O-N 2.93Å; T102-S106 WeakPolarHBondContact O-CB 3.42Å; T102-S106 PolarHBondContact O-N 3.11Å |
| 103 | M | 68.1 | Low | 63.6 | Low | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 174.5 | 177.6 | -166.4 | -66.8 | 0 | 0 | 111.1 | F11 L15 S99 F100 E101 K105 S106 L107 L446 | F11-M103 HydrophobicContact CD1-CE 4.44Å; F11-M103 HydrophobicContact CD2-CE 3.76Å; F11-M103 HydrophobicContact CD2-SD 3.8Å; F11-M103 HydrophobicContact CE1-CE 4.01Å; F11-M103 HydrophobicContact CE2-CE 3.2Å; F11-M103 HydrophobicContact CE2-SD 3.58Å; F11-M103 VanDerWaalsContact CE2-SD 3.58Å; F11-M103 HydrophobicContact CG-CE 4.38Å; F11-M103 HydrophobicContact CZ-CE 3.37Å; F11-M103 HydrophobicContact CZ-SD 4.36Å; L15-M103 HydrophobicContact CB-CE 3.79Å; L15-M103 HydrophobicContact CD1-CE 3.48Å; L15-M103 VanDerWaalsContact CD1-CE 3.48Å; L15-M103 HydrophobicContact CD2-CE 4.19Å; L15-M103 HydrophobicContact CG-CE 4.02Å; S99-M103 VanDerWaalsContact O-CB 3.26Å; S99-M103 WeakPolarHBondContact O-CB 3.17Å; S99-M103 PolarHBondContact O-N 2.86Å; F100-M103 WeakPolarHBondContact O-CB 3.36Å; F100-M103 PolarHBondContact O-N 3.05Å; E101-M103 VanDerWaalsContact C-N 3.33Å; E101-M103 PolarHBondContact O-N 2.9Å; M103-K105 PolarHBondContact O-N 2.98Å; M103-S106 WeakPolarHBondContact O-CB 3.5Å; M103-S106 PolarHBondContact O-N 2.71Å; M103-L107 HydrophobicContact CG-CD1 3.81Å; M103-L107 WeakPolarHBondContact O-CG 3.16Å; M103-L107 PolarHBondContact O-N 3.35Å; M103-L107 HydrophobicContact SD-CD1 4.41Å; M103-L446 HydrophobicContact SD-CD2 3.96Å |
| 104 | L | 71.9 | Confident | 63 | Low | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | -176.4 | -162.5 | 67.1 | 0 | 0 | 0 | 111.7 | F100 E101 S106 L107 L108 W203 I206 V272 A276 | F100-L104 WeakPolarHBondContact O-CB 3.2Å; F100-L104 PolarHBondContact O-N 2.74Å; E101-L104 PolarHBondContact O-N 3.27Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 2.84Å; L104-L107 HydrophobicContact CD1-CD1 4.39Å; L104-L107 WeakPolarHBondContact O-CB 3.43Å; L104-L107 PolarHBondContact O-N 3.01Å; L104-L108 HydrophobicContact CG-CD1 4.23Å; L104-L108 WeakPolarHBondContact O-CD1 3.39Å; L104-L108 VanDerWaalsContact O-CG 3.24Å; L104-L108 WeakPolarHBondContact O-CG 3.26Å; L104-L108 PolarHBondContact O-N 2.89Å; L104-W203 HydrophobicContact CD1-CZ3 4.34Å; L104-I206 HydrophobicContact CD1-CD1 3.87Å; L104-I206 HydrophobicContact CD1-CG2 4.26Å; L104-V272 HydrophobicContact CD2-CB 4.32Å; L104-V272 HydrophobicContact CD2-CG1 4.05Å; L104-V272 HydrophobicContact CD2-CG2 4.26Å; L104-A276 HydrophobicContact CD2-CB 4.1Å |
| 105 | K | 75.4 | Confident | 63 | Low | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 173.4 | -74.9 | -174.4 | 169.2 | 172.1 | 0 | 111.7 | E101 M103 L107 L108 G109 Y110 D269 V272 | E101-K105 HydrophobicContact CG-CD 4.13Å; E101-K105 HydrophobicContact CG-CG 4.47Å; E101-K105 WeakPolarHBondContact O-CB 3.25Å; E101-K105 WeakPolarHBondContact O-CG 3.34Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 WeakPolarHBondContact OE1-CE 3.12Å; E101-K105 IonicContact OE1-NZ 2.8Å; E101-K105 PolarHBondContact OE1-NZ 3.08Å; M103-K105 PolarHBondContact O-N 2.98Å; K105-L107 PolarHBondContact O-N 2.75Å; K105-L108 PolarHBondContact O-N 3.46Å; K105-G109 PolarHBondContact O-N 2.81Å; K105-Y110 HydrophobicContact CB-CD2 4.48Å; K105-Y110 HydrophobicContact CG-CD2 4.24Å; K105-Y110 WeakPolarHBondContact O-CB 3.33Å; K105-Y110 PolarHBondContact O-N 3.38Å; K105-D269 IonicContact NZ-OD1 3.77Å; K105-D269 PolarHBondContact NZ-OD1 3.41Å; K105-V272 HydrophobicContact CD-CG2 4.47Å; K105-V272 HydrophobicContact CG-CG2 3.71Å |
| 106 | S | 70.7 | Confident | 62.5 | Low | 45 Ų | 45 | 43.3 Ų | 43.3 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 112.7 | T102 M103 L104 L108 G109 | T102-S106 WeakPolarHBondContact O-CB 3.42Å; T102-S106 PolarHBondContact O-N 3.11Å; M103-S106 WeakPolarHBondContact O-CB 3.5Å; M103-S106 PolarHBondContact O-N 2.71Å; L104-S106 VanDerWaalsContact C-N 3.32Å; L104-S106 PolarHBondContact O-N 2.84Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 2.85Å; S106-G109 PolarHBondContact O-N 3.19Å; S106-G109 VanDerWaalsContact O-N 3.1Å |
| 107 | L | 69.5 | Low | 62.4 | Low | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 176.6 | -74.7 | 159.9 | 0 | 0 | 0 | 111.9 | I14 M103 L104 K105 G109 I206 Y210 Y225 | I14-L107 HydrophobicContact CB-CD2 3.93Å; I14-L107 HydrophobicContact CB-CG 4.35Å; I14-L107 HydrophobicContact CD1-CD2 3.24Å; I14-L107 HydrophobicContact CD1-CG 4.37Å; I14-L107 HydrophobicContact CG1-CD2 4.12Å; I14-L107 HydrophobicContact CG2-CD2 3.7Å; I14-L107 HydrophobicContact CG2-CG 3.64Å; M103-L107 HydrophobicContact CG-CD1 3.81Å; M103-L107 WeakPolarHBondContact O-CG 3.16Å; M103-L107 PolarHBondContact O-N 3.35Å; M103-L107 HydrophobicContact SD-CD1 4.41Å; L104-L107 HydrophobicContact CD1-CD1 4.39Å; L104-L107 WeakPolarHBondContact O-CB 3.43Å; L104-L107 PolarHBondContact O-N 3.01Å; K105-L107 PolarHBondContact O-N 2.75Å; L107-G109 PolarHBondContact O-N 3.44Å; L107-I206 HydrophobicContact CB-CG1 4.48Å; L107-I206 HydrophobicContact CD1-CG2 4.14Å; L107-Y210 HydrophobicContact CD2-CD1 4.21Å; L107-Y210 HydrophobicContact CD2-CG 4.02Å; L107-Y210 PolarHBondContact O-OH 3.49Å; L107-Y225 PolarHBondContact O-OH 3.26Å |
| 108 | L | 77.1 | Confident | 62.6 | Low | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1 | 176.5 | -63.4 | 164.4 | 0 | 0 | 0 | 113 | L104 K105 S106 Y110 I202 I206 L229 M271 V272 L275 | L104-L108 HydrophobicContact CG-CD1 4.23Å; L104-L108 WeakPolarHBondContact O-CD1 3.39Å; L104-L108 VanDerWaalsContact O-CG 3.24Å; L104-L108 WeakPolarHBondContact O-CG 3.26Å; L104-L108 PolarHBondContact O-N 2.89Å; K105-L108 PolarHBondContact O-N 3.46Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 2.85Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 HydrophobicContact CB-CD1 4.07Å; L108-Y110 HydrophobicContact CB-CD2 3.94Å; L108-Y110 HydrophobicContact CB-CE1 3.87Å; L108-Y110 HydrophobicContact CB-CE2 3.81Å; L108-Y110 HydrophobicContact CB-CG 4.09Å; L108-Y110 HydrophobicContact CD1-CD2 4.21Å; L108-Y110 HydrophobicContact CD1-CE2 3.73Å; L108-Y110 HydrophobicContact CG-CE2 4.39Å; L108-Y110 WeakPolarHBondContact O-CD1 3.48Å; L108-Y110 WeakPolarHBondContact O-CE1 3.32Å; L108-Y110 PolarHBondContact O-N 2.73Å; L108-I202 HydrophobicContact CD2-CG2 3.95Å; L108-I206 HydrophobicContact CD2-CD1 4.13Å; L108-L229 HydrophobicContact CD2-CD1 3.81Å; L108-M271 HydrophobicContact CD1-CG 3.69Å; L108-M271 HydrophobicContact CD2-CG 4.32Å; L108-V272 HydrophobicContact CD1-CG2 4.41Å; L108-L275 HydrophobicContact CD1-CD1 4.03Å; L108-L275 HydrophobicContact CD2-CD1 3.77Å; L108-L275 HydrophobicContact CG-CD1 4.47Å |
| 109 | G | 72.8 | Confident | 62.5 | Low | 63 Ų | 63 | 46.3 Ų | 46.3 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | K105 S106 L107 | K105-G109 PolarHBondContact O-N 2.81Å; S106-G109 PolarHBondContact O-N 3.19Å; S106-G109 VanDerWaalsContact O-N 3.1Å; L107-G109 PolarHBondContact O-N 3.44Å |
| 110 | Y | 78.2 | Confident | 62.7 | Low | 6 Ų | 6 | 51 Ų | 51 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 140.3 | 177.9 | -57.1 | -14.7 | 0 | 0 | 0 | 109.6 | K105 L108 E233 E268 M271 | K105-Y110 HydrophobicContact CB-CD2 4.48Å; K105-Y110 HydrophobicContact CG-CD2 4.24Å; K105-Y110 WeakPolarHBondContact O-CB 3.33Å; K105-Y110 PolarHBondContact O-N 3.38Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 HydrophobicContact CB-CD1 4.07Å; L108-Y110 HydrophobicContact CB-CD2 3.94Å; L108-Y110 HydrophobicContact CB-CE1 3.87Å; L108-Y110 HydrophobicContact CB-CE2 3.81Å; L108-Y110 HydrophobicContact CB-CG 4.09Å; L108-Y110 HydrophobicContact CD1-CD2 4.21Å; L108-Y110 HydrophobicContact CD1-CE2 3.73Å; L108-Y110 HydrophobicContact CG-CE2 4.39Å; L108-Y110 WeakPolarHBondContact O-CD1 3.48Å; L108-Y110 WeakPolarHBondContact O-CE1 3.32Å; L108-Y110 PolarHBondContact O-N 2.73Å; Y110-E233 WeakPolarHBondContact CE1-OE1 3.36Å; Y110-E233 PolarHBondContact OH-OE1 3.47Å; Y110-E268 HydrophobicContact CD1-CG 4.3Å; Y110-E268 HydrophobicContact CD2-CB 3.7Å; Y110-E268 HydrophobicContact CD2-CG 3.54Å; Y110-E268 HydrophobicContact CE1-CG 4.45Å; Y110-E268 HydrophobicContact CE2-CB 3.79Å; Y110-E268 HydrophobicContact CE2-CG 3.67Å; Y110-E268 HydrophobicContact CG-CB 4.46Å; Y110-E268 HydrophobicContact CG-CG 3.87Å; Y110-M271 HydrophobicContact CE2-CB 4.14Å; Y110-M271 HydrophobicContact CE2-CG 4.13Å; Y110-M271 VanDerWaalsContact OH-CE 3.29Å; Y110-M271 WeakPolarHBondContact OH-CE 3.43Å; Y110-M271 WeakPolarHBondContact OH-CG 3.13Å |
| 111 | P | 64.6 | Low | 62.7 | Low | 82 Ų | 82 | 50.3 Ų | 50.3 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 139.4 | 175 | 25.2 | -31.9 | 0 | 0 | 0 | 108.3 | G113 | P111-G113 PolarHBondContact O-N 2.99Š|
| 112 | P | 56.9 | Low | 62.9 | Low | 51 Ų | 51 | 51 Ų | 51 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 117 | 167 | 22.6 | -29.7 | 0 | 0 | 0 | 105.5 | Y21 L22 M114 | Y21-P112 HydrophobicContact CD1-CG 4.38Å; Y21-P112 HydrophobicContact CE1-CG 4.43Å; L22-P112 HydrophobicContact CD1-CB 4.27Å; L22-P112 HydrophobicContact CD1-CG 4.5Å; L22-P112 HydrophobicContact CD2-CG 4.08Å; P112-M114 PolarHBondContact O-N 2.72Å |
| 113 | G | 53.8 | Low | 63.4 | Low | 51 Ų | 51 | 53.4 Ų | 53.4 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 117.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P111 G115 | P111-G113 PolarHBondContact O-N 2.99Å; G113-G115 PolarHBondContact O-N 2.93Å |
| 114 | M | 39.3 | Very low | 63.9 | Low | 179 Ų | 179 | 55.4 Ų | 55.4 | 88% | 0.882 | 37% | 0.374 | S | S | * | . | trans | -36.3 | 117.3 | -165.9 | -91.5 | -166.7 | 177.8 | 0 | 0 | 109 | P112 G116 | P112-M114 PolarHBondContact O-N 2.72Å; M114-G116 PolarHBondContact O-N 3.46Å | ||
| 115 | G | 41.7 | Very low | 64.2 | Low | 82 Ų | 82 | 58.2 Ų | 58.2 | 85% | 0.845 | 39% | 0.386 | S | S | * | . | trans | -59.2 | 85.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G113 | G113-G115 PolarHBondContact O-N 2.93Š| ||
| 116 | G | 44.3 | Very low | 64.6 | Low | 23 Ų | 23 | 64.3 Ų | 64.3 | 24% | 0.237 | 41% | 0.413 | C | S | . | . | trans | -56.6 | 151 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | M114 E120 | M114-G116 PolarHBondContact O-N 3.46Å; G116-E120 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 117 | G | 49.9 | Very low | 65.4 | Low | 37 Ų | 37 | 64.4 Ų | 64.4 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | trans | -52.2 | 170 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S119 E120 | G117-S119 PolarHBondContact O-N 2.96Å; G117-E120 PolarHBondContact O-N 3.35Å | ||
| 118 | P | 57.2 | Low | 66.2 | Low | 94 Ų | 94 | 64.5 Ų | 64.5 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -44.5 | -33 | -178.7 | -30.1 | 34.6 | 0 | 0 | 0 | 114.7 | S121 V122 | P118-S121 PolarHBondContact O-N 2.97Å; P118-S121 PolarHBondContact O-OG 3.46Å; P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 2.8Å |
| 119 | S | 59 | Low | 66.7 | Low | 84 Ų | 84 | 65.9 Ų | 65.9 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.6 | -42.8 | 174 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | G117 V122 V123 | G117-S119 PolarHBondContact O-N 2.96Å; S119-V122 PolarHBondContact O-N 3.3Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.05Å; S119-V123 VanDerWaalsContact O-N 3.12Å |
| 120 | E | 64.9 | Low | 67.5 | Low | 119 Ų | 119 | 64.1 Ų | 64.1 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.6 | -37.7 | -178.4 | -71.9 | -176.3 | -150.6 | 0 | 0 | 111.5 | G116 G117 V122 V123 R124 | G116-E120 WeakPolarHBondContact CA-OE2 3.29Å; G117-E120 PolarHBondContact O-N 3.35Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 3.3Å; E120-V123 PolarHBondContact O-N 2.86Å; E120-R124 VanDerWaalsContact O-CB 3.31Å; E120-R124 WeakPolarHBondContact O-CB 3.29Å; E120-R124 PolarHBondContact O-N 2.72Å |
| 121 | S | 66.5 | Low | 68.1 | Low | 27 Ų | 27 | 64 Ų | 64 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 174.5 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | T96 P118 R124 K125 | T96-S121 WeakPolarHBondContact CB-OG 3.45Å; T96-S121 PolarHBondContact OG1-OG 3.36Å; P118-S121 PolarHBondContact O-N 2.97Å; P118-S121 PolarHBondContact O-OG 3.46Å; S121-R124 PolarHBondContact O-N 3.46Å; S121-K125 WeakPolarHBondContact O-CB 3.37Å; S121-K125 PolarHBondContact O-N 2.91Å |
| 122 | V | 71.6 | Confident | 69.4 | Low | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | T96 P118 S119 E120 R124 K125 K126 | T96-V122 HydrophobicContact CG2-CG2 3.18Å; P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 2.8Å; S119-V122 PolarHBondContact O-N 3.3Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 3.3Å; V122-R124 VanDerWaalsContact C-N 3.31Å; V122-K125 PolarHBondContact O-N 3.45Å; V122-K126 HydrophobicContact CG1-CD 4.21Å; V122-K126 WeakPolarHBondContact O-CB 3.42Å; V122-K126 WeakPolarHBondContact O-CG 3.34Å; V122-K126 PolarHBondContact O-N 2.85Å |
| 123 | V | 77.1 | Confident | 71 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | S119 E120 K126 L127 | S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.05Å; S119-V123 VanDerWaalsContact O-N 3.12Å; E120-V123 PolarHBondContact O-N 2.86Å; V123-K126 PolarHBondContact O-N 2.86Å; V123-L127 WeakPolarHBondContact O-CB 3.2Å; V123-L127 PolarHBondContact O-N 3.2Å |
| 124 | R | 78.6 | Confident | 72.7 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 18% | 0.181 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.8 | -168.9 | 61.8 | 162.3 | 134.2 | -5.7 | 112.3 | E120 S121 V122 L127 Y128 D269 | E120-R124 VanDerWaalsContact O-CB 3.31Å; E120-R124 WeakPolarHBondContact O-CB 3.29Å; E120-R124 PolarHBondContact O-N 2.72Å; S121-R124 PolarHBondContact O-N 3.46Å; V122-R124 VanDerWaalsContact C-N 3.31Å; R124-L127 PolarHBondContact O-N 3.44Å; R124-Y128 WeakPolarHBondContact O-CB 3.39Å; R124-Y128 PolarHBondContact O-N 3.17Å; R124-D269 IonicContact CZ-OD1 2.75Å; R124-D269 IonicContact CZ-OD2 3.27Å; R124-D269 IonicContact NH1-OD1 3.72Å; R124-D269 IonicContact NH1-OD2 2.86Å; R124-D269 PolarHBondContact NH1-OD2 3.42Å; R124-D269 IonicContact NH2-OD1 3.7Å; R124-D269 PolarHBondContact NH2-OD1 3.25Å; R124-D269 IonicContact NH2-OD2 2.85Å; R124-D269 PolarHBondContact NH2-OD2 3.33Å |
| 125 | K | 79.3 | Confident | 75.3 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.3 | 178.7 | 172.4 | 174 | 173.1 | 0 | 111.9 | S121 V122 L127 Y128 E129 | S121-K125 WeakPolarHBondContact O-CB 3.37Å; S121-K125 PolarHBondContact O-N 2.91Å; V122-K125 PolarHBondContact O-N 3.45Å; K125-L127 VanDerWaalsContact C-N 3.35Å; K125-L127 PolarHBondContact O-N 2.94Å; K125-Y128 PolarHBondContact O-N 3.32Å; K125-E129 WeakPolarHBondContact CE-OE1 3.34Å; K125-E129 WeakPolarHBondContact CG-OE1 3.46Å; K125-E129 IonicContact NZ-OE1 3.71Å; K125-E129 WeakPolarHBondContact O-CB 3.38Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 2.76Å |
| 126 | K | 83.6 | Confident | 77.7 | Confident | 141 Ų | 141 | 50.5 Ų | 50.5 | 61% | 0.613 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 177.3 | -76.5 | -178.5 | 178.9 | -178.8 | 0 | 112.6 | V122 V123 G130 | V122-K126 HydrophobicContact CG1-CD 4.21Å; V122-K126 WeakPolarHBondContact O-CB 3.42Å; V122-K126 WeakPolarHBondContact O-CG 3.34Å; V122-K126 PolarHBondContact O-N 2.85Å; V123-K126 PolarHBondContact O-N 2.86Å; K126-G130 PolarHBondContact O-N 3.28Å |
| 127 | L | 86.9 | Confident | 80 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 175 | 174.3 | 66.8 | 0 | 0 | 0 | 110.7 | V123 R124 K125 G130 A131 L256 S259 L261 | V123-L127 WeakPolarHBondContact O-CB 3.2Å; V123-L127 PolarHBondContact O-N 3.2Å; R124-L127 PolarHBondContact O-N 3.44Å; K125-L127 VanDerWaalsContact C-N 3.35Å; K125-L127 PolarHBondContact O-N 2.94Å; L127-G130 PolarHBondContact O-N 3.49Å; L127-A131 WeakPolarHBondContact O-CB 3.42Å; L127-A131 PolarHBondContact O-N 3.5Å; L127-L256 HydrophobicContact CD2-CD2 4.31Å; L127-L256 HydrophobicContact CG-CD2 4.17Å; L127-S259 WeakPolarHBondContact CD2-OG 3.32Å; L127-L261 HydrophobicContact CD2-CD1 3.92Å |
| 128 | Y | 86.6 | Confident | 82 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 179 | -168.6 | -83.9 | 0 | 0 | 0 | 111.9 | R124 K125 G130 A131 I132 F252 D269 F273 P410 E411 | R124-Y128 WeakPolarHBondContact O-CB 3.39Å; R124-Y128 PolarHBondContact O-N 3.17Å; K125-Y128 PolarHBondContact O-N 3.32Å; Y128-G130 VanDerWaalsContact C-N 3.35Å; Y128-G130 PolarHBondContact O-N 3.44Å; Y128-A131 WeakPolarHBondContact O-CB 3.31Å; Y128-A131 PolarHBondContact O-N 3.1Å; Y128-I132 HydrophobicContact CD1-CD1 3.74Å; Y128-I132 HydrophobicContact CE1-CD1 3.32Å; Y128-I132 HydrophobicContact CE1-CG1 4.33Å; Y128-I132 PolarHBondContact O-N 3.41Å; Y128-F252 HydrophobicContact CD1-CE2 4.49Å; Y128-F252 HydrophobicContact CD2-CE2 4.08Å; Y128-F252 AromaticContact CD2-CZ 3.7Å; Y128-F252 HydrophobicContact CD2-CZ 3.7Å; Y128-F252 HydrophobicContact CE1-CE2 4.44Å; Y128-F252 HydrophobicContact CE2-CE1 4.43Å; Y128-F252 HydrophobicContact CE2-CE2 4.04Å; Y128-F252 AromaticContact CE2-CZ 3.42Å; Y128-F252 HydrophobicContact CE2-CZ 3.42Å; Y128-F252 VanDerWaalsContact CE2-CZ 3.42Å; Y128-F252 HydrophobicContact CG-CE2 4.3Å; Y128-F252 HydrophobicContact CG-CZ 4.37Å; Y128-F252 AromaticContact CZ-CZ 3.86Å; Y128-D269 HydrophobicContact CD2-CB 4.41Å; Y128-D269 HydrophobicContact CE2-CB 4.15Å; Y128-F273 WeakPolarHBondContact OH-CA 3.28Å; Y128-F273 WeakPolarHBondContact OH-CB 3.16Å; Y128-F273 PolarHBondContact OH-N 3.39Å; Y128-P410 HydrophobicContact CD1-CB 4.07Å; Y128-P410 HydrophobicContact CD1-CG 4.11Å; Y128-P410 HydrophobicContact CE1-CB 4.03Å; Y128-P410 HydrophobicContact CE1-CG 4.33Å; Y128-E411 PolarHBondContact OH-OE1 3.39Å |
| 129 | E | 87.4 | Confident | 83.7 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.1 | -78.1 | 178.1 | -162.3 | 0 | 0 | 112.6 | K125 A131 I132 N133 P410 R413 | K125-E129 WeakPolarHBondContact CE-OE1 3.34Å; K125-E129 WeakPolarHBondContact CG-OE1 3.46Å; K125-E129 IonicContact NZ-OE1 3.71Å; K125-E129 WeakPolarHBondContact O-CB 3.38Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 2.76Å; E129-A131 VanDerWaalsContact C-N 3.35Å; E129-I132 PolarHBondContact O-N 3Å; E129-N133 WeakPolarHBondContact O-CB 3.17Å; E129-N133 VanDerWaalsContact O-CG 3.23Å; E129-N133 PolarHBondContact O-N 3.37Å; E129-N133 PolarHBondContact O-ND2 3.21Å; E129-P410 HydrophobicContact CG-CB 4.29Å; E129-P410 HydrophobicContact CG-CG 3.73Å; E129-R413 PolarHBondContact O-NH2 3.26Å |
| 130 | G | 89.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K126 L127 Y128 N133 N134 | K126-G130 PolarHBondContact O-N 3.28Å; L127-G130 PolarHBondContact O-N 3.49Å; Y128-G130 VanDerWaalsContact C-N 3.35Å; Y128-G130 PolarHBondContact O-N 3.44Å; G130-N133 PolarHBondContact O-N 3.21Å; G130-N134 VanDerWaalsContact O-CB 3.31Å; G130-N134 WeakPolarHBondContact O-CB 3.38Å; G130-N134 PolarHBondContact O-N 2.87Å; G130-N134 PolarHBondContact O-ND2 2.91Å |
| 131 | A | 91.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L127 Y128 E129 S135 F252 A255 L256 | L127-A131 WeakPolarHBondContact O-CB 3.42Å; L127-A131 PolarHBondContact O-N 3.5Å; Y128-A131 WeakPolarHBondContact O-CB 3.31Å; Y128-A131 PolarHBondContact O-N 3.1Å; E129-A131 VanDerWaalsContact C-N 3.35Å; A131-S135 WeakPolarHBondContact O-CB 3.32Å; A131-S135 PolarHBondContact O-N 3.48Å; A131-F252 HydrophobicContact CB-CD2 3.45Å; A131-F252 VanDerWaalsContact CB-CD2 3.45Å; A131-F252 HydrophobicContact CB-CE2 3.59Å; A131-F252 HydrophobicContact CB-CG 4.39Å; A131-A255 HydrophobicContact CB-CB 3.53Å; A131-L256 HydrophobicContact CB-CD2 4.15Å; A131-L256 HydrophobicContact CB-CG 4.46Å |
| 132 | I | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 175.3 | -72.6 | 172 | 0 | 0 | 0 | 110.8 | Y128 E129 N134 S135 L136 F252 F273 P410 F414 | Y128-I132 HydrophobicContact CD1-CD1 3.74Å; Y128-I132 HydrophobicContact CE1-CD1 3.32Å; Y128-I132 HydrophobicContact CE1-CG1 4.33Å; Y128-I132 PolarHBondContact O-N 3.41Å; E129-I132 PolarHBondContact O-N 3Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.28Å; I132-S135 PolarHBondContact O-N 3.23Å; I132-L136 HydrophobicContact CG2-CD1 4.03Å; I132-L136 HydrophobicContact CG2-CG 4.47Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 2.91Å; I132-F252 HydrophobicContact CD1-CE2 4.42Å; I132-F252 HydrophobicContact CG1-CD2 3.72Å; I132-F252 HydrophobicContact CG1-CE2 3.77Å; I132-F273 HydrophobicContact CD1-CD2 3.81Å; I132-F273 HydrophobicContact CD1-CE2 3.69Å; I132-F273 HydrophobicContact CG1-CD2 4.1Å; I132-F273 HydrophobicContact CG1-CE2 3.74Å; I132-F273 HydrophobicContact CG1-CZ 4.4Å; I132-P410 HydrophobicContact CD1-CB 3.44Å; I132-P410 VanDerWaalsContact CD1-CB 3.44Å; I132-F414 HydrophobicContact CG2-CB 4.15Å; I132-F414 HydrophobicContact CG2-CD2 4.16Å |
| 133 | N | 90.2 | Very high | 89.3 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | -179.2 | -72.2 | -14 | 0 | 0 | 0 | 112.1 | E129 G130 L136 K137 R413 | E129-N133 WeakPolarHBondContact O-CB 3.17Å; E129-N133 VanDerWaalsContact O-CG 3.23Å; E129-N133 PolarHBondContact O-N 3.37Å; E129-N133 PolarHBondContact O-ND2 3.21Å; G130-N133 PolarHBondContact O-N 3.21Å; N133-L136 PolarHBondContact O-N 3.25Å; N133-K137 WeakPolarHBondContact O-CB 3.34Å; N133-K137 PolarHBondContact O-N 2.82Å; N133-R413 VanDerWaalsContact CG-NH2 3.31Å; N133-R413 PolarHBondContact ND2-NH2 3.4Å; N133-R413 PolarHBondContact OD1-NE 3Å; N133-R413 VanDerWaalsContact OD1-NE 3.15Å; N133-R413 PolarHBondContact OD1-NH2 3.39Å |
| 134 | N | 90.8 | Very high | 90.2 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.3 | -73.1 | -15.7 | 0 | 0 | 0 | 111.2 | G130 I132 K137 N138 | G130-N134 VanDerWaalsContact O-CB 3.31Å; G130-N134 WeakPolarHBondContact O-CB 3.38Å; G130-N134 PolarHBondContact O-N 2.87Å; G130-N134 PolarHBondContact O-ND2 2.91Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.28Å; N134-K137 PolarHBondContact O-N 3.15Å; N134-N138 WeakPolarHBondContact O-CB 3.41Å; N134-N138 VanDerWaalsContact O-CG 3.24Å; N134-N138 PolarHBondContact O-N 3.46Å; N134-N138 PolarHBondContact O-ND2 3.48Å |
| 135 | S | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | A131 I132 K137 N138 N139 L180 | A131-S135 WeakPolarHBondContact O-CB 3.32Å; A131-S135 PolarHBondContact O-N 3.48Å; I132-S135 PolarHBondContact O-N 3.23Å; S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 3.25Å; S135-N138 PolarHBondContact O-N 3.35Å; S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 3.03Å; S135-N139 PolarHBondContact O-ND2 3.18Å; S135-N139 PolarHBondContact OG-ND2 3.24Å; S135-L180 WeakPolarHBondContact OG-CB 3.26Å; S135-L180 PolarHBondContact OG-O 3.07Å |
| 136 | L | 92.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 174.8 | -75.1 | 171.9 | 0 | 0 | 0 | 111.4 | I132 N133 N138 F140 M143 L180 F414 T417 | I132-L136 HydrophobicContact CG2-CD1 4.03Å; I132-L136 HydrophobicContact CG2-CG 4.47Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 2.91Å; N133-L136 PolarHBondContact O-N 3.25Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-F140 WeakPolarHBondContact O-CB 3.4Å; L136-F140 PolarHBondContact O-N 3.35Å; L136-M143 HydrophobicContact CD2-CE 3.38Å; L136-L180 HydrophobicContact CD2-CD2 4.11Å; L136-F414 HydrophobicContact CD1-CD2 4.17Å; L136-F414 HydrophobicContact CD2-CD2 3.43Å; L136-F414 VanDerWaalsContact CD2-CD2 3.43Å; L136-F414 HydrophobicContact CD2-CE2 3.54Å; L136-F414 HydrophobicContact CD2-CG 4.29Å; L136-F414 HydrophobicContact CD2-CZ 4.46Å; L136-F414 HydrophobicContact CG-CD2 3.79Å; L136-F414 HydrophobicContact CG-CE2 4.17Å; L136-T417 HydrophobicContact CD2-CG2 4.02Å |
| 137 | K | 92.6 | Very high | 92.6 | Very high | 148 Ų | 148 | 39.2 Ų | 39.2 | 64% | 0.643 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.7 | -46.1 | -179.5 | -173.7 | 179.3 | 177.1 | -177.6 | 0 | 112.5 | N133 N134 S135 L317 | N133-K137 WeakPolarHBondContact O-CB 3.34Å; N133-K137 PolarHBondContact O-N 2.82Å; N134-K137 PolarHBondContact O-N 3.15Å; S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 3.25Å; K137-L317 HydrophobicContact CB-CD1 4.49Å; K137-L317 HydrophobicContact CG-CD1 4.4Å |
| 138 | N | 92.3 | Very high | 93.1 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -79.2 | -24.4 | -172.8 | -68.2 | -21 | 0 | 0 | 0 | 113.3 | N134 S135 L136 Q249 | N134-N138 WeakPolarHBondContact O-CB 3.41Å; N134-N138 VanDerWaalsContact O-CG 3.24Å; N134-N138 PolarHBondContact O-N 3.46Å; N134-N138 PolarHBondContact O-ND2 3.48Å; S135-N138 PolarHBondContact O-N 3.35Å; L136-N138 PolarHBondContact O-N 3.36Å; N138-Q249 PolarHBondContact ND2-O 2.78Å |
| 139 | N | 92.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -118.5 | 14.7 | -174.3 | -56.2 | -72.9 | 0 | 0 | 0 | 113.3 | S135 P141 V142 M143 L180 T250 | S135-N139 WeakPolarHBondContact O-CB 3.3Å; S135-N139 PolarHBondContact O-N 3.03Å; S135-N139 PolarHBondContact O-ND2 3.18Å; S135-N139 PolarHBondContact OG-ND2 3.24Å; N139-P141 VanDerWaalsContact C-CD 3.44Å; N139-P141 VanDerWaalsContact C-N 3.3Å; N139-V142 HydrophobicContact CB-CB 4.35Å; N139-V142 HydrophobicContact CB-CG2 4.43Å; N139-V142 WeakPolarHBondContact O-CA 3.38Å; N139-V142 VanDerWaalsContact O-CB 3.32Å; N139-V142 WeakPolarHBondContact O-CB 3.45Å; N139-V142 PolarHBondContact O-N 3.11Å; N139-M143 PolarHBondContact O-N 3.43Å; N139-M143 VanDerWaalsContact O-N 3.07Å; N139-L180 HydrophobicContact CB-CD1 4Å; N139-L180 HydrophobicContact CB-CD2 4.27Å; N139-L180 HydrophobicContact CB-CG 3.7Å; N139-T250 PolarHBondContact ND2-O 2.82Å |
| 140 | F | 94.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.4 | -41.6 | 176.3 | -172.9 | -94.5 | 0 | 0 | 0 | 113.7 | L136 V142 M143 L144 V315 L317 I320 V421 | L136-F140 WeakPolarHBondContact O-CB 3.4Å; L136-F140 PolarHBondContact O-N 3.35Å; F140-V142 PolarHBondContact O-N 3.45Å; F140-M143 WeakPolarHBondContact O-CB 3.34Å; F140-M143 PolarHBondContact O-N 3.3Å; F140-L144 PolarHBondContact O-N 2.88Å; F140-V315 VanDerWaalsContact CE1-O 3.28Å; F140-V315 WeakPolarHBondContact CE1-O 3.31Å; F140-V315 HydrophobicContact CZ-CG1 4.21Å; F140-L317 HydrophobicContact CB-CD1 3.8Å; F140-L317 HydrophobicContact CB-CD2 4.38Å; F140-L317 HydrophobicContact CB-CG 3.93Å; F140-L317 HydrophobicContact CD1-CG 4.18Å; F140-L317 HydrophobicContact CD2-CD1 4.22Å; F140-L317 HydrophobicContact CD2-CD2 3.3Å; F140-L317 HydrophobicContact CD2-CG 3.46Å; F140-L317 VanDerWaalsContact CD2-CG 3.46Å; F140-L317 HydrophobicContact CE2-CD2 3.68Å; F140-L317 HydrophobicContact CE2-CG 3.93Å; F140-L317 HydrophobicContact CG-CD1 4.03Å; F140-L317 HydrophobicContact CG-CD2 3.96Å; F140-L317 HydrophobicContact CG-CG 3.58Å; F140-L317 HydrophobicContact CZ-CG 4.46Å; F140-I320 HydrophobicContact CE2-CD1 3.81Å; F140-I320 HydrophobicContact CZ-CD1 4.29Å; F140-V421 HydrophobicContact CE2-CG2 3.52Å; F140-V421 HydrophobicContact CZ-CG2 3.75Å |
| 141 | P | 95 | Very high | 94.5 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.4 | -32 | 175 | -24.2 | 35.6 | 0 | 0 | 0 | 113.6 | N139 K145 | N139-P141 VanDerWaalsContact C-CD 3.44Å; N139-P141 VanDerWaalsContact C-N 3.3Å; P141-K145 WeakPolarHBondContact O-CB 3.42Å; P141-K145 PolarHBondContact O-N 2.98Å |
| 142 | V | 94.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -45.3 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 110 | N139 F140 K145 V146 Q179 L180 | N139-V142 HydrophobicContact CB-CB 4.35Å; N139-V142 HydrophobicContact CB-CG2 4.43Å; N139-V142 WeakPolarHBondContact O-CA 3.38Å; N139-V142 VanDerWaalsContact O-CB 3.32Å; N139-V142 WeakPolarHBondContact O-CB 3.45Å; N139-V142 PolarHBondContact O-N 3.11Å; F140-V142 PolarHBondContact O-N 3.45Å; V142-K145 PolarHBondContact O-N 3.33Å; V142-V146 WeakPolarHBondContact O-CG2 3.34Å; V142-V146 PolarHBondContact O-N 3.03Å; V142-Q179 HydrophobicContact CG1-CB 4.31Å; V142-L180 HydrophobicContact CG1-CD1 4.38Å |
| 143 | M | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 175.6 | 178 | -173.9 | -59.8 | 0 | 0 | 111.4 | L136 N139 F140 K145 V146 V147 T176 L180 F414 T417 V418 V421 | L136-M143 HydrophobicContact CD2-CE 3.38Å; N139-M143 PolarHBondContact O-N 3.43Å; N139-M143 VanDerWaalsContact O-N 3.07Å; F140-M143 WeakPolarHBondContact O-CB 3.34Å; F140-M143 PolarHBondContact O-N 3.3Å; M143-K145 VanDerWaalsContact C-N 3.34Å; M143-K145 PolarHBondContact O-N 2.92Å; M143-V146 PolarHBondContact O-N 3.43Å; M143-V147 WeakPolarHBondContact O-CG2 3.31Å; M143-V147 PolarHBondContact O-N 3.4Å; M143-V147 VanDerWaalsContact O-N 3.1Å; M143-T176 HydrophobicContact CB-CG2 4.3Å; M143-T176 HydrophobicContact CE-CG2 4.16Å; M143-T176 HydrophobicContact CG-CG2 3.92Å; M143-L180 HydrophobicContact CE-CD2 3.5Å; M143-F414 HydrophobicContact CE-CE2 4.49Å; M143-F414 HydrophobicContact CE-CZ 4.41Å; M143-T417 HydrophobicContact CE-CG2 4.27Å; M143-T417 HydrophobicContact SD-CG2 4.1Å; M143-V418 HydrophobicContact CE-CG2 3.62Å; M143-V418 HydrophobicContact CG-CG2 4.48Å; M143-V418 HydrophobicContact SD-CB 4.39Å; M143-V418 HydrophobicContact SD-CG2 3.88Å; M143-V421 HydrophobicContact SD-CB 4.29Å; M143-V421 HydrophobicContact SD-CG2 3.83Å |
| 144 | L | 96.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 177.9 | 179.9 | 62.7 | 0 | 0 | 0 | 111.2 | F140 V146 V147 E148 P314 V315 V421 | F140-L144 PolarHBondContact O-N 2.88Å; L144-V146 PolarHBondContact O-N 3.43Å; L144-V147 WeakPolarHBondContact O-CB 3.34Å; L144-V147 PolarHBondContact O-N 3.2Å; L144-E148 HydrophobicContact CD1-CG 4.24Å; L144-E148 HydrophobicContact CG-CG 4.36Å; L144-E148 WeakPolarHBondContact O-CG 3.05Å; L144-E148 PolarHBondContact O-N 2.91Å; L144-P314 HydrophobicContact CD2-CB 3.93Å; L144-P314 HydrophobicContact CD2-CG 4.47Å; L144-V315 HydrophobicContact CD1-CG1 4.1Å; L144-V421 HydrophobicContact CB-CG1 4.43Å; L144-V421 HydrophobicContact CD1-CG1 3.82Å |
| 145 | K | 96.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 178.3 | -172.6 | -171 | -178.3 | -150.6 | 0 | 112.6 | P141 V142 M143 V147 E148 E149 | P141-K145 WeakPolarHBondContact O-CB 3.42Å; P141-K145 PolarHBondContact O-N 2.98Å; V142-K145 PolarHBondContact O-N 3.33Å; M143-K145 VanDerWaalsContact C-N 3.34Å; M143-K145 PolarHBondContact O-N 2.92Å; K145-V147 VanDerWaalsContact C-N 3.28Å; K145-V147 PolarHBondContact O-N 3.05Å; K145-E148 PolarHBondContact O-N 3.07Å; K145-E149 WeakPolarHBondContact CE-OE1 3.42Å; K145-E149 IonicContact NZ-OE1 3.59Å; K145-E149 PolarHBondContact NZ-OE1 3.49Å; K145-E149 WeakPolarHBondContact O-CG 3.35Å; K145-E149 PolarHBondContact O-N 3.09Å |
| 146 | V | 96.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | V142 M143 L144 L150 L172 K175 | V142-V146 WeakPolarHBondContact O-CG2 3.34Å; V142-V146 PolarHBondContact O-N 3.03Å; M143-V146 PolarHBondContact O-N 3.43Å; L144-V146 PolarHBondContact O-N 3.43Å; V146-L150 PolarHBondContact O-N 3.33Å; V146-L172 HydrophobicContact CG1-CD1 3.7Å; V146-K175 HydrophobicContact CG1-CB 4.07Å; V146-K175 HydrophobicContact CG1-CD 3.99Å; V146-K175 HydrophobicContact CG1-CG 3.79Å; V146-K175 HydrophobicContact CG2-CD 4.47Å; V146-K175 HydrophobicContact CG2-CG 4.1Å |
| 147 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -45 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | M143 L144 K145 E149 L150 V151 L172 V421 L422 T425 | M143-V147 WeakPolarHBondContact O-CG2 3.31Å; M143-V147 PolarHBondContact O-N 3.4Å; M143-V147 VanDerWaalsContact O-N 3.1Å; L144-V147 WeakPolarHBondContact O-CB 3.34Å; L144-V147 PolarHBondContact O-N 3.2Å; K145-V147 VanDerWaalsContact C-N 3.28Å; K145-V147 PolarHBondContact O-N 3.05Å; V147-E149 VanDerWaalsContact C-N 3.33Å; V147-E149 PolarHBondContact O-N 3.08Å; V147-L150 PolarHBondContact O-N 3.07Å; V147-V151 HydrophobicContact CG1-CG2 4.3Å; V147-V151 WeakPolarHBondContact O-CG2 3.4Å; V147-V151 PolarHBondContact O-N 3.14Å; V147-L172 HydrophobicContact CG2-CD1 4.02Å; V147-V421 HydrophobicContact CB-CG1 4.12Å; V147-V421 HydrophobicContact CG1-CG1 4.22Å; V147-V421 HydrophobicContact CG2-CG1 3.97Å; V147-L422 HydrophobicContact CG1-CB 4.48Å; V147-L422 HydrophobicContact CG1-CD1 4.2Å; V147-T425 HydrophobicContact CG1-CG2 4.07Å |
| 148 | E | 97.5 | Very high | 95.7 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.9 | -73.5 | 175.7 | 157.6 | 0 | 0 | 112.2 | L144 K145 V151 G152 T425 | L144-E148 HydrophobicContact CD1-CG 4.24Å; L144-E148 HydrophobicContact CG-CG 4.36Å; L144-E148 WeakPolarHBondContact O-CG 3.05Å; L144-E148 PolarHBondContact O-N 2.91Å; K145-E148 PolarHBondContact O-N 3.07Å; E148-V151 PolarHBondContact O-N 2.98Å; E148-G152 WeakPolarHBondContact O-CA 3.37Å; E148-G152 PolarHBondContact O-N 3.04Å; E148-T425 HydrophobicContact CG-CG2 4.06Å |
| 149 | E | 97 | Very high | 95.4 | Very high | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 173.9 | -75.3 | 172.1 | -173.1 | 0 | 0 | 111.3 | K145 V147 K153 K175 | K145-E149 WeakPolarHBondContact CE-OE1 3.42Å; K145-E149 IonicContact NZ-OE1 3.59Å; K145-E149 PolarHBondContact NZ-OE1 3.49Å; K145-E149 WeakPolarHBondContact O-CG 3.35Å; K145-E149 PolarHBondContact O-N 3.09Å; V147-E149 VanDerWaalsContact C-N 3.33Å; V147-E149 PolarHBondContact O-N 3.08Å; E149-K153 WeakPolarHBondContact O-CB 3.44Å; E149-K153 PolarHBondContact O-N 2.71Å; E149-K175 IonicContact OE2-NZ 3.75Å |
| 150 | L | 97.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -49.7 | 176.6 | 179.1 | 68.7 | 0 | 0 | 0 | 111.9 | V146 V147 G152 K153 W154 H168 L169 L172 L422 | V146-L150 PolarHBondContact O-N 3.33Å; V147-L150 PolarHBondContact O-N 3.07Å; L150-G152 VanDerWaalsContact C-N 3.32Å; L150-G152 PolarHBondContact O-N 3Å; L150-K153 WeakPolarHBondContact O-CB 3.39Å; L150-K153 PolarHBondContact O-N 3.5Å; L150-W154 HydrophobicContact CD1-CZ2 4.31Å; L150-W154 HydrophobicContact CD2-CZ2 4.36Å; L150-W154 HydrophobicContact CG-CZ2 4.46Å; L150-W154 PolarHBondContact O-N 3.36Å; L150-H168 HydrophobicContact CD1-CB 4.31Å; L150-L169 HydrophobicContact CD2-CD2 4.12Å; L150-L172 HydrophobicContact CD2-CB 4.12Å; L150-L172 HydrophobicContact CD2-CD1 4.34Å; L150-L172 HydrophobicContact CD2-CD2 3.84Å; L150-L172 HydrophobicContact CD2-CG 4.31Å; L150-L422 HydrophobicContact CD2-CD1 4.4Å |
| 151 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | -178.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | V147 E148 K153 W154 K155 T425 L426 Q429 L430 | V147-V151 HydrophobicContact CG1-CG2 4.3Å; V147-V151 WeakPolarHBondContact O-CG2 3.4Å; V147-V151 PolarHBondContact O-N 3.14Å; E148-V151 PolarHBondContact O-N 2.98Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.41Å; V151-W154 PolarHBondContact O-N 3.28Å; V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 PolarHBondContact O-N 3.37Å; V151-T425 HydrophobicContact CB-CG2 4.28Å; V151-T425 HydrophobicContact CG1-CG2 4.41Å; V151-T425 HydrophobicContact CG2-CG2 4.08Å; V151-L426 HydrophobicContact CG2-CB 3.88Å; V151-L426 HydrophobicContact CG2-CD1 4.35Å; V151-L426 HydrophobicContact CG2-CG 4.27Å; V151-Q429 HydrophobicContact CG1-CB 4.41Å; V151-L430 HydrophobicContact CG1-CD1 4.22Å |
| 152 | G | 96.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E148 L150 K155 S156 | E148-G152 WeakPolarHBondContact O-CA 3.37Å; E148-G152 PolarHBondContact O-N 3.04Å; L150-G152 VanDerWaalsContact C-N 3.32Å; L150-G152 PolarHBondContact O-N 3Å; G152-K155 PolarHBondContact O-N 2.93Å; G152-S156 PolarHBondContact O-N 3.31Å |
| 153 | K | 96.2 | Very high | 95.2 | Very high | 109 Ų | 109 | 58 Ų | 58 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 172.5 | -174 | -174.1 | -177.4 | -170.1 | 0 | 111.9 | E149 L150 V151 K155 S156 F157 | E149-K153 WeakPolarHBondContact O-CB 3.44Å; E149-K153 PolarHBondContact O-N 2.71Å; L150-K153 WeakPolarHBondContact O-CB 3.39Å; L150-K153 PolarHBondContact O-N 3.5Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.41Å; K153-K155 VanDerWaalsContact C-N 3.32Å; K153-S156 PolarHBondContact O-N 3.25Å; K153-S156 PolarHBondContact O-OG 2.58Å; K153-F157 HydrophobicContact CD-CZ 4.28Å; K153-F157 HydrophobicContact CG-CE1 4.03Å; K153-F157 HydrophobicContact CG-CZ 3.92Å; K153-F157 WeakPolarHBondContact O-CD1 3.2Å |
| 154 | W | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 178.9 | -70.4 | 12.5 | 0 | 0 | 0 | 112 | L150 V151 S156 F157 I163 L165 H168 L169 L289 L426 L430 I456 V458 | L150-W154 HydrophobicContact CD1-CZ2 4.31Å; L150-W154 HydrophobicContact CD2-CZ2 4.36Å; L150-W154 HydrophobicContact CG-CZ2 4.46Å; L150-W154 PolarHBondContact O-N 3.36Å; V151-W154 PolarHBondContact O-N 3.28Å; W154-S156 VanDerWaalsContact C-N 3.25Å; W154-S156 PolarHBondContact O-N 3.09Å; W154-F157 AromaticContact CD1-CE2 3.85Å; W154-F157 WeakPolarHBondContact O-CB 3.48Å; W154-F157 PolarHBondContact O-N 3.39Å; W154-F157 VanDerWaalsContact O-N 3.16Å; W154-I163 HydrophobicContact CB-CD1 4.09Å; W154-I163 HydrophobicContact CD2-CD1 3.76Å; W154-I163 HydrophobicContact CD2-CG2 3.97Å; W154-I163 VanDerWaalsContact CE2-CG2 3.48Å; W154-I163 HydrophobicContact CE3-CD1 3.96Å; W154-I163 HydrophobicContact CE3-CG2 4.35Å; W154-I163 HydrophobicContact CG-CD1 3.81Å; W154-I163 HydrophobicContact CH2-CG2 3.93Å; W154-I163 HydrophobicContact CZ2-CG2 3.49Å; W154-I163 VanDerWaalsContact CZ2-CG2 3.49Å; W154-I163 HydrophobicContact CZ3-CG2 4.32Å; W154-L165 HydrophobicContact CH2-CD2 3.59Å; W154-L165 HydrophobicContact CZ2-CD2 4.45Å; W154-L165 HydrophobicContact CZ3-CD2 4.23Å; W154-H168 AromaticContact CE2-ND1 3.55Å; W154-H168 HydrophobicContact CZ2-CB 3.79Å; W154-H168 AromaticContact CZ2-ND1 3.67Å; W154-H168 AromaticContact NE1-CE1 3.65Å; W154-H168 AromaticContact NE1-CG 3.87Å; W154-H168 AromaticContact NE1-ND1 3Å; W154-H168 PolarHBondContact NE1-ND1 3.21Å; W154-L169 HydrophobicContact CH2-CD2 4.46Å; W154-L289 HydrophobicContact CH2-CD1 3.72Å; W154-L289 HydrophobicContact CZ3-CD1 3.75Å; W154-L426 HydrophobicContact CE3-CD1 3.81Å; W154-L426 HydrophobicContact CH2-CD1 4.48Å; W154-L426 HydrophobicContact CZ3-CD1 3.58Å; W154-L430 HydrophobicContact CB-CD1 3.9Å; W154-I456 HydrophobicContact CZ3-CD1 4.13Å; W154-V458 HydrophobicContact CE3-CG1 4.37Å |
| 155 | K | 95.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 58 Ų | 58 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.4 | -28.3 | 176.4 | -166.4 | 178.6 | -173.1 | 171.5 | 0 | 113.4 | V151 G152 K153 F157 L430 N460 | V151-K155 WeakPolarHBondContact O-CB 3.27Å; V151-K155 PolarHBondContact O-N 3.37Å; G152-K155 PolarHBondContact O-N 2.93Å; K153-K155 VanDerWaalsContact C-N 3.32Å; K155-F157 VanDerWaalsContact C-N 3.32Å; K155-L430 HydrophobicContact CB-CD2 4.33Å; K155-L430 HydrophobicContact CG-CD2 4.3Å; K155-N460 VanDerWaalsContact CG-OD1 3.29Å; K155-N460 WeakPolarHBondContact CG-OD1 3.33Å |
| 156 | S | 94.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.4 | 177.2 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | G152 K153 W154 | G152-S156 PolarHBondContact O-N 3.31Å; K153-S156 PolarHBondContact O-N 3.25Å; K153-S156 PolarHBondContact O-OG 2.58Å; W154-S156 VanDerWaalsContact C-N 3.25Å; W154-S156 PolarHBondContact O-N 3.09Å |
| 157 | F | 93.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -74.4 | 147.6 | 176.5 | -66.4 | -19 | 0 | 0 | 0 | 112 | K153 W154 K155 Q161 I163 | K153-F157 HydrophobicContact CD-CZ 4.28Å; K153-F157 HydrophobicContact CG-CE1 4.03Å; K153-F157 HydrophobicContact CG-CZ 3.92Å; K153-F157 WeakPolarHBondContact O-CD1 3.2Å; W154-F157 AromaticContact CD1-CE2 3.85Å; W154-F157 WeakPolarHBondContact O-CB 3.48Å; W154-F157 PolarHBondContact O-N 3.39Å; W154-F157 VanDerWaalsContact O-N 3.16Å; K155-F157 VanDerWaalsContact C-N 3.32Å; F157-Q161 HydrophobicContact CB-CB 3.89Å; F157-Q161 HydrophobicContact CB-CG 3.99Å; F157-Q161 HydrophobicContact CD2-CG 3.89Å; F157-Q161 HydrophobicContact CE2-CG 4.49Å; F157-Q161 HydrophobicContact CG-CB 4.43Å; F157-Q161 HydrophobicContact CG-CG 3.96Å; F157-I163 HydrophobicContact CD2-CD1 3.85Å; F157-I163 HydrophobicContact CD2-CG1 3.95Å; F157-I163 HydrophobicContact CE2-CD1 4.31Å; F157-I163 HydrophobicContact CE2-CG1 4.24Å |
| 158 | P | 92.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | trans | -57.8 | 147.7 | 166.3 | -21.2 | 32.4 | 0 | 0 | 0 | 111.3 | A160 Q161 | P158-A160 PolarHBondContact O-N 3.07Å; P158-A160 VanDerWaalsContact O-N 3.14Å; P158-Q161 WeakPolarHBondContact O-CB 3.33Å; P158-Q161 PolarHBondContact O-N 3.39Å | ||
| 159 | E | 86.3 | Confident | 95.2 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.4 | -177.4 | -65.4 | -171.3 | 157.4 | 0 | 0 | 113.5 | Q161 | E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.01Å |
| 160 | A | 87.2 | Confident | 95.2 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 69% | 0.686 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | P158 H162 | P158-A160 PolarHBondContact O-N 3.07Å; P158-A160 VanDerWaalsContact O-N 3.14Å; A160-H162 PolarHBondContact O-CD2 3.16Å; A160-H162 PolarHBondContact O-N 2.71Å |
| 161 | Q | 94.2 | Very high | 95.2 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | trans | -70.3 | 120.6 | -178.3 | -179.8 | 62.1 | 49.3 | 0 | 0 | 110.3 | F157 P158 E159 I163 | F157-Q161 HydrophobicContact CB-CB 3.89Å; F157-Q161 HydrophobicContact CB-CG 3.99Å; F157-Q161 HydrophobicContact CD2-CG 3.89Å; F157-Q161 HydrophobicContact CE2-CG 4.49Å; F157-Q161 HydrophobicContact CG-CB 4.43Å; F157-Q161 HydrophobicContact CG-CG 3.96Å; P158-Q161 WeakPolarHBondContact O-CB 3.33Å; P158-Q161 PolarHBondContact O-N 3.39Å; E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.01Å; Q161-I163 PolarHBondContact O-N 2.86Å | ||
| 162 | H | 95.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -72.9 | 128.5 | 170.8 | -63.2 | -171.5 | 0 | 0 | 0 | 109.3 | A160 L435 W455 | A160-H162 PolarHBondContact O-CD2 3.16Å; A160-H162 PolarHBondContact O-N 2.71Å; H162-L435 VanDerWaalsContact NE2-CD2 3.34Å; H162-L435 WeakPolarHBondContact NE2-CD2 3.38Å; H162-W455 HydrophobicContact CB-CE3 3.86Å; H162-W455 HydrophobicContact CB-CZ3 4.41Å | ||
| 163 | I | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.2 | -178.6 | -58.5 | -173.3 | 0 | 0 | 0 | 109 | W154 F157 Q161 L165 H168 W455 I456 V458 | W154-I163 HydrophobicContact CB-CD1 4.09Å; W154-I163 HydrophobicContact CD2-CD1 3.76Å; W154-I163 HydrophobicContact CD2-CG2 3.97Å; W154-I163 VanDerWaalsContact CE2-CG2 3.48Å; W154-I163 HydrophobicContact CE3-CD1 3.96Å; W154-I163 HydrophobicContact CE3-CG2 4.35Å; W154-I163 HydrophobicContact CG-CD1 3.81Å; W154-I163 HydrophobicContact CH2-CG2 3.93Å; W154-I163 HydrophobicContact CZ2-CG2 3.49Å; W154-I163 VanDerWaalsContact CZ2-CG2 3.49Å; W154-I163 HydrophobicContact CZ3-CG2 4.32Å; F157-I163 HydrophobicContact CD2-CD1 3.85Å; F157-I163 HydrophobicContact CD2-CG1 3.95Å; F157-I163 HydrophobicContact CE2-CD1 4.31Å; F157-I163 HydrophobicContact CE2-CG1 4.24Å; Q161-I163 PolarHBondContact O-N 2.86Å; I163-L165 PolarHBondContact O-N 3.44Å; I163-H168 WeakPolarHBondContact CG2-ND1 3.28Å; I163-W455 WeakPolarHBondContact O-CA 3.22Å; I163-I456 HydrophobicContact CB-CG1 4.11Å; I163-I456 PolarHBondContact N-O 2.68Å; I163-I456 PolarHBondContact O-N 3.19Å; I163-I456 VanDerWaalsContact O-N 3.13Å; I163-V458 HydrophobicContact CD1-CB 4.4Å; I163-V458 HydrophobicContact CD1-CG1 3.9Å; I163-V458 HydrophobicContact CD1-CG2 3.64Å |
| 164 | P | 96.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 14% | 0.143 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 104 | 175.7 | 29.2 | -30.6 | 0 | 0 | 0 | 110.3 | A167 H168 E453 W455 | P164-A167 HydrophobicContact CB-CB 4.08Å; P164-A167 HydrophobicContact CG-CB 4.27Å; P164-H168 WeakPolarHBondContact O-CB 3.46Å; P164-H168 PolarHBondContact O-N 3.28Å; P164-H168 VanDerWaalsContact O-N 3.12Å; P164-E453 VanDerWaalsContact CB-CD 3.43Å; P164-E453 HydrophobicContact CB-CG 3.77Å; P164-E453 WeakPolarHBondContact CB-OE2 3.46Å; P164-W455 HydrophobicContact CB-CE3 3.92Å; P164-W455 HydrophobicContact CB-CH2 3.84Å; P164-W455 HydrophobicContact CB-CZ2 4.43Å; P164-W455 HydrophobicContact CB-CZ3 3.56Å; P164-W455 HydrophobicContact CG-CH2 4.38Å; P164-W455 HydrophobicContact CG-CZ3 3.92Å |
| 165 | L | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | -177 | -71.7 | -171.9 | 0 | 0 | 0 | 112 | W154 I163 H168 L169 I286 L289 E453 T454 I456 | W154-L165 HydrophobicContact CH2-CD2 3.59Å; W154-L165 HydrophobicContact CZ2-CD2 4.45Å; W154-L165 HydrophobicContact CZ3-CD2 4.23Å; I163-L165 PolarHBondContact O-N 3.44Å; L165-H168 PolarHBondContact O-N 2.81Å; L165-L169 HydrophobicContact CB-CD1 4.29Å; L165-L169 HydrophobicContact CD2-CD1 4.25Å; L165-L169 WeakPolarHBondContact O-CB 3.2Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 2.89Å; L165-L169 PolarHBondContact O-N 3.47Å; L165-I286 HydrophobicContact CB-CG2 4.34Å; L165-L289 HydrophobicContact CD1-CB 4.06Å; L165-L289 HydrophobicContact CD2-CB 4.25Å; L165-L289 HydrophobicContact CD2-CD1 3.96Å; L165-E453 PolarHBondContact N-OE1 2.63Å; L165-E453 VanDerWaalsContact N-OE1 3.17Å; L165-T454 WeakPolarHBondContact CB-O 3.42Å; L165-T454 HydrophobicContact CD1-CG2 4.03Å; L165-T454 WeakPolarHBondContact CG-O 2.93Å; L165-T454 PolarHBondContact N-O 2.98Å; L165-I456 HydrophobicContact CD1-CG1 4.39Å; L165-I456 HydrophobicContact CD1-CG2 3.74Å; L165-I456 HydrophobicContact CD2-CD1 3.58Å; L165-I456 HydrophobicContact CD2-CG1 3.65Å; L165-I456 HydrophobicContact CG-CD1 4.32Å; L165-I456 HydrophobicContact CG-CG1 3.96Å; L165-I456 HydrophobicContact CG-CG2 4.13Å |
| 166 | C | 95.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | -176.2 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | H168 L170 I286 E453 | C166-H168 PolarHBondContact O-N 3.33Å; C166-L170 WeakPolarHBondContact O-CB 3.05Å; C166-L170 PolarHBondContact O-N 3.03Å; C166-I286 HydrophobicContact CB-CD1 4.17Å; C166-E453 WeakPolarHBondContact CA-OE1 3.36Å; C166-E453 WeakPolarHBondContact CB-OE1 3.29Å; C166-E453 PolarHBondContact N-OE1 3.1Å; C166-E453 PolarHBondContact SG-OE1 3.17Å |
| 167 | A | 96.1 | Very high | 95.5 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P164 G171 E453 | P164-A167 HydrophobicContact CB-CB 4.08Å; P164-A167 HydrophobicContact CG-CB 4.27Å; A167-G171 PolarHBondContact O-N 3.31Å; A167-E453 WeakPolarHBondContact CB-OE2 3.35Å; A167-E453 PolarHBondContact N-OE2 3.22Å |
| 168 | H | 97.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -41.2 | -176.8 | -75.6 | 176 | 0 | 0 | 0 | 112.9 | L150 W154 I163 P164 L165 C166 G171 L172 | L150-H168 HydrophobicContact CD1-CB 4.31Å; W154-H168 AromaticContact CE2-ND1 3.55Å; W154-H168 HydrophobicContact CZ2-CB 3.79Å; W154-H168 AromaticContact CZ2-ND1 3.67Å; W154-H168 AromaticContact NE1-CE1 3.65Å; W154-H168 AromaticContact NE1-CG 3.87Å; W154-H168 AromaticContact NE1-ND1 3Å; W154-H168 PolarHBondContact NE1-ND1 3.21Å; I163-H168 WeakPolarHBondContact CG2-ND1 3.28Å; P164-H168 WeakPolarHBondContact O-CB 3.46Å; P164-H168 PolarHBondContact O-N 3.28Å; P164-H168 VanDerWaalsContact O-N 3.12Å; L165-H168 PolarHBondContact O-N 2.81Å; C166-H168 PolarHBondContact O-N 3.33Å; H168-G171 PolarHBondContact O-N 3.28Å; H168-L172 PolarHBondContact O-N 3.07Å |
| 169 | L | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.7 | -26.3 | -176.8 | -63.1 | 175.9 | 0 | 0 | 0 | 112.7 | L150 W154 L165 L172 A173 C285 I286 L289 L422 | L150-L169 HydrophobicContact CD2-CD2 4.12Å; W154-L169 HydrophobicContact CH2-CD2 4.46Å; L165-L169 HydrophobicContact CB-CD1 4.29Å; L165-L169 HydrophobicContact CD2-CD1 4.25Å; L165-L169 WeakPolarHBondContact O-CB 3.2Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 2.89Å; L165-L169 PolarHBondContact O-N 3.47Å; L169-L172 HydrophobicContact CD2-CD2 3.97Å; L169-L172 PolarHBondContact O-N 3.34Å; L169-A173 WeakPolarHBondContact O-CB 3.39Å; L169-A173 PolarHBondContact O-N 2.97Å; L169-C285 HydrophobicContact CB-CB 4.33Å; L169-C285 HydrophobicContact CD1-CB 3.89Å; L169-C285 HydrophobicContact CD2-CB 4.14Å; L169-C285 HydrophobicContact CG-CB 4.36Å; L169-I286 HydrophobicContact CB-CD1 4.43Å; L169-I286 HydrophobicContact CB-CG1 3.74Å; L169-I286 VanDerWaalsContact CD1-CA 3.47Å; L169-I286 HydrophobicContact CD1-CB 4.13Å; L169-I286 HydrophobicContact CD1-CG1 3.6Å; L169-I286 HydrophobicContact CG-CG1 4.28Å; L169-L289 HydrophobicContact CD1-CD1 3.93Å; L169-L289 HydrophobicContact CD1-CG 4.26Å; L169-L289 HydrophobicContact CD2-CD1 4.25Å; L169-L422 HydrophobicContact CD2-CD2 3.75Å |
| 170 | L | 96.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 23.6 Ų | 23.6 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 164.3 | -178.7 | 59.1 | 0 | 0 | 0 | 110.9 | C166 L172 A173 L174 I279 A282 | C166-L170 WeakPolarHBondContact O-CB 3.05Å; C166-L170 PolarHBondContact O-N 3.03Å; L170-L172 PolarHBondContact O-N 3.3Å; L170-A173 PolarHBondContact O-N 2.83Å; L170-L174 HydrophobicContact CD1-CD1 4.08Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CG-CD1 3.83Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CB 3.4Å; L170-L174 WeakPolarHBondContact O-CD1 3.4Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.26Å; L170-L174 PolarHBondContact O-N 3.46Å; L170-I279 HydrophobicContact CD1-CD1 4.29Å; L170-A282 HydrophobicContact CB-CB 4.34Å; L170-A282 HydrophobicContact CD1-CB 4.1Å |
| 171 | G | 96.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 19.6 Ų | 19.6 | 27% | 0.268 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -59.5 | -44 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A167 H168 K175 | A167-G171 PolarHBondContact O-N 3.31Å; H168-G171 PolarHBondContact O-N 3.28Å; G171-K175 WeakPolarHBondContact O-CB 2.95Å; G171-K175 PolarHBondContact O-N 2.72Å |
| 172 | L | 97.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 15.4 Ų | 15.4 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.6 | -52.9 | 173 | 176.6 | 63.4 | 0 | 0 | 0 | 111.2 | V146 V147 L150 H168 L169 L170 L174 K175 T176 L422 | V146-L172 HydrophobicContact CG1-CD1 3.7Å; V147-L172 HydrophobicContact CG2-CD1 4.02Å; L150-L172 HydrophobicContact CD2-CB 4.12Å; L150-L172 HydrophobicContact CD2-CD1 4.34Å; L150-L172 HydrophobicContact CD2-CD2 3.84Å; L150-L172 HydrophobicContact CD2-CG 4.31Å; H168-L172 PolarHBondContact O-N 3.07Å; L169-L172 HydrophobicContact CD2-CD2 3.97Å; L169-L172 PolarHBondContact O-N 3.34Å; L170-L172 PolarHBondContact O-N 3.3Å; L172-L174 PolarHBondContact O-N 2.96Å; L172-K175 PolarHBondContact O-N 3.32Å; L172-T176 WeakPolarHBondContact O-CB 3.35Å; L172-T176 PolarHBondContact O-N 3.17Å; L172-T176 PolarHBondContact O-OG1 3.01Å; L172-T176 VanDerWaalsContact O-OG1 3.08Å; L172-L422 HydrophobicContact CD2-CD1 4.02Å; L172-L422 HydrophobicContact CD2-CD2 4.03Å; L172-L422 HydrophobicContact CD2-CG 4.45Å |
| 173 | A | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L169 L170 K175 T176 V177 C278 T281 A282 | L169-A173 WeakPolarHBondContact O-CB 3.39Å; L169-A173 PolarHBondContact O-N 2.97Å; L170-A173 PolarHBondContact O-N 2.83Å; A173-K175 PolarHBondContact O-N 3.16Å; A173-T176 PolarHBondContact O-N 3.45Å; A173-V177 WeakPolarHBondContact O-CB 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.22Å; A173-V177 PolarHBondContact O-N 3.12Å; A173-C278 VanDerWaalsContact CB-O 3.28Å; A173-C278 WeakPolarHBondContact CB-O 3.04Å; A173-T281 HydrophobicContact CB-CG2 3.99Å; A173-A282 HydrophobicContact CB-CB 3.79Å |
| 174 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 176 | -73.7 | 160.3 | 0 | 0 | 0 | 111.3 | L170 L172 T178 I192 F195 R196 H199 C278 | L170-L174 HydrophobicContact CD1-CD1 4.08Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CG-CD1 3.83Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CB 3.4Å; L170-L174 WeakPolarHBondContact O-CD1 3.4Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.26Å; L170-L174 PolarHBondContact O-N 3.46Å; L172-L174 PolarHBondContact O-N 2.96Å; L174-T178 VanDerWaalsContact O-CB 3.28Å; L174-T178 WeakPolarHBondContact O-CB 3.44Å; L174-T178 VanDerWaalsContact O-CG2 3.25Å; L174-T178 WeakPolarHBondContact O-CG2 3.37Å; L174-T178 PolarHBondContact O-N 2.94Å; L174-T178 PolarHBondContact O-OG1 2.91Å; L174-I192 HydrophobicContact CB-CG2 4.14Å; L174-F195 HydrophobicContact CD2-CD1 3.74Å; L174-F195 HydrophobicContact CD2-CE1 3.77Å; L174-R196 HydrophobicContact CD1-CB 3.8Å; L174-R196 HydrophobicContact CD1-CG 3.58Å; L174-H199 HydrophobicContact CD2-CB 4.46Å; L174-C278 HydrophobicContact CD2-CB 4.13Å; L174-C278 HydrophobicContact CG-CB 4.48Å |
| 175 | K | 96.8 | Very high | 96 | Very high | 34 Ų | 34 | 17.7 Ų | 17.7 | 15% | 0.148 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | -179.3 | -170.5 | 155 | -174.9 | 165 | 0 | 111.9 | V146 E149 G171 L172 A173 T178 Q179 D189 I192 | V146-K175 HydrophobicContact CG1-CB 4.07Å; V146-K175 HydrophobicContact CG1-CD 3.99Å; V146-K175 HydrophobicContact CG1-CG 3.79Å; V146-K175 HydrophobicContact CG2-CD 4.47Å; V146-K175 HydrophobicContact CG2-CG 4.1Å; E149-K175 IonicContact OE2-NZ 3.75Å; G171-K175 WeakPolarHBondContact O-CB 2.95Å; G171-K175 PolarHBondContact O-N 2.72Å; L172-K175 PolarHBondContact O-N 3.32Å; A173-K175 PolarHBondContact O-N 3.16Å; K175-T178 PolarHBondContact O-OG1 2.99Å; K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 VanDerWaalsContact O-CG 3.3Å; K175-Q179 WeakPolarHBondContact O-CG 3.42Å; K175-Q179 PolarHBondContact O-N 3.32Å; K175-Q179 VanDerWaalsContact O-N 3.13Å; K175-D189 IonicContact NZ-OD1 3.49Å; K175-D189 PolarHBondContact NZ-OD1 2.92Å; K175-I192 HydrophobicContact CB-CD1 3.82Å; K175-I192 HydrophobicContact CD-CD1 3.7Å; K175-I192 HydrophobicContact CG-CD1 3.55Å |
| 176 | T | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.7 | -50.6 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | M143 L172 A173 T178 Q179 L180 F414 V418 | M143-T176 HydrophobicContact CB-CG2 4.3Å; M143-T176 HydrophobicContact CE-CG2 4.16Å; M143-T176 HydrophobicContact CG-CG2 3.92Å; L172-T176 WeakPolarHBondContact O-CB 3.35Å; L172-T176 PolarHBondContact O-N 3.17Å; L172-T176 PolarHBondContact O-OG1 3.01Å; L172-T176 VanDerWaalsContact O-OG1 3.08Å; A173-T176 PolarHBondContact O-N 3.45Å; T176-T178 PolarHBondContact O-N 3.31Å; T176-Q179 PolarHBondContact O-N 3.28Å; T176-L180 HydrophobicContact CG2-CD1 4.13Å; T176-L180 HydrophobicContact CG2-CD2 4.49Å; T176-L180 WeakPolarHBondContact O-CB 3.36Å; T176-L180 VanDerWaalsContact O-CD1 3.25Å; T176-L180 WeakPolarHBondContact O-CD1 3.39Å; T176-L180 PolarHBondContact O-N 3.33Å; T176-F414 HydrophobicContact CG2-CE1 4.43Å; T176-F414 HydrophobicContact CG2-CZ 4.13Å; T176-V418 HydrophobicContact CG2-CG1 4.44Å; T176-V418 HydrophobicContact CG2-CG2 3.76Å |
| 177 | V | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | -177 | 172.8 | 0 | 0 | 0 | 0 | 111 | A173 G181 F273 T274 F414 | A173-V177 WeakPolarHBondContact O-CB 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.22Å; A173-V177 PolarHBondContact O-N 3.12Å; V177-G181 VanDerWaalsContact O-CA 3.23Å; V177-G181 WeakPolarHBondContact O-CA 3.26Å; V177-G181 PolarHBondContact O-N 3.25Å; V177-F273 HydrophobicContact CG1-CD1 4.38Å; V177-F273 HydrophobicContact CG1-CE1 3.97Å; V177-F273 HydrophobicContact CG1-CZ 4.36Å; V177-T274 HydrophobicContact CG1-CG2 4.2Å; V177-F414 HydrophobicContact CG2-CD1 4.3Å; V177-F414 HydrophobicContact CG2-CE1 3.55Å; V177-F414 HydrophobicContact CG2-CZ 4.2Å |
| 178 | T | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.8 | -39.6 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | L174 K175 T176 G181 L182 G183 F186 F195 | L174-T178 VanDerWaalsContact O-CB 3.28Å; L174-T178 WeakPolarHBondContact O-CB 3.44Å; L174-T178 VanDerWaalsContact O-CG2 3.25Å; L174-T178 WeakPolarHBondContact O-CG2 3.37Å; L174-T178 PolarHBondContact O-N 2.94Å; L174-T178 PolarHBondContact O-OG1 2.91Å; K175-T178 PolarHBondContact O-OG1 2.99Å; T176-T178 PolarHBondContact O-N 3.31Å; T178-G181 PolarHBondContact O-N 2.83Å; T178-L182 HydrophobicContact CG2-CD1 4.35Å; T178-L182 WeakPolarHBondContact O-CA 3.36Å; T178-L182 WeakPolarHBondContact O-CB 3.38Å; T178-L182 PolarHBondContact O-N 2.88Å; T178-G183 PolarHBondContact O-N 3.03Å; T178-F186 HydrophobicContact CG2-CD1 4.06Å; T178-F186 HydrophobicContact CG2-CE1 4.34Å; T178-F186 HydrophobicContact CG2-CG 4.44Å; T178-F186 WeakPolarHBondContact OG1-CB 3.32Å; T178-F195 HydrophobicContact CG2-CD1 3.81Å; T178-F195 HydrophobicContact CG2-CD2 4.12Å; T178-F195 HydrophobicContact CG2-CE1 3.79Å; T178-F195 HydrophobicContact CG2-CE2 4.09Å; T178-F195 HydrophobicContact CG2-CG 4.01Å; T178-F195 HydrophobicContact CG2-CZ 3.96Å |
| 179 | Q | 95.8 | Very high | 95 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 176.6 | -74.2 | -173.2 | 43.7 | 0 | 0 | 112.8 | V142 K175 T176 G183 F186 | V142-Q179 HydrophobicContact CG1-CB 4.31Å; K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 VanDerWaalsContact O-CG 3.3Å; K175-Q179 WeakPolarHBondContact O-CG 3.42Å; K175-Q179 PolarHBondContact O-N 3.32Å; K175-Q179 VanDerWaalsContact O-N 3.13Å; T176-Q179 PolarHBondContact O-N 3.28Å; Q179-G183 WeakPolarHBondContact O-CA 3.35Å; Q179-G183 PolarHBondContact O-N 3.08Å; Q179-F186 HydrophobicContact CG-CB 3.93Å; Q179-F186 WeakPolarHBondContact CG-O 3.46Å; Q179-F186 PolarHBondContact NE2-O 3.11Å |
| 180 | L | 95.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -75.4 | -32 | 177.6 | -84.3 | 70.2 | 0 | 0 | 0 | 111.6 | S135 L136 N139 V142 M143 T176 A251 F252 F414 | S135-L180 WeakPolarHBondContact OG-CB 3.26Å; S135-L180 PolarHBondContact OG-O 3.07Å; L136-L180 HydrophobicContact CD2-CD2 4.11Å; N139-L180 HydrophobicContact CB-CD1 4Å; N139-L180 HydrophobicContact CB-CD2 4.27Å; N139-L180 HydrophobicContact CB-CG 3.7Å; V142-L180 HydrophobicContact CG1-CD1 4.38Å; M143-L180 HydrophobicContact CE-CD2 3.5Å; T176-L180 HydrophobicContact CG2-CD1 4.13Å; T176-L180 HydrophobicContact CG2-CD2 4.49Å; T176-L180 WeakPolarHBondContact O-CB 3.36Å; T176-L180 VanDerWaalsContact O-CD1 3.25Å; T176-L180 WeakPolarHBondContact O-CD1 3.39Å; T176-L180 PolarHBondContact O-N 3.33Å; L180-A251 WeakPolarHBondContact O-CA 3.39Å; L180-F252 PolarHBondContact O-N 3.22Å; L180-F414 HydrophobicContact CB-CE2 4.07Å; L180-F414 HydrophobicContact CB-CZ 4.16Å; L180-F414 HydrophobicContact CD2-CE2 3.61Å; L180-F414 HydrophobicContact CD2-CZ 3.82Å; L180-F414 HydrophobicContact CG-CE2 4.47Å |
| 181 | G | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.6 | -51.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | V177 T178 F252 V253 | V177-G181 VanDerWaalsContact O-CA 3.23Å; V177-G181 WeakPolarHBondContact O-CA 3.26Å; V177-G181 PolarHBondContact O-N 3.25Å; T178-G181 PolarHBondContact O-N 2.83Å; G181-F252 PolarHBondContact O-N 3.17Å; G181-V253 WeakPolarHBondContact O-CB 3.3Å; G181-V253 WeakPolarHBondContact O-CG1 3.35Å; G181-V253 PolarHBondContact O-N 2.81Å |
| 182 | L | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -118.6 | -12.4 | -160.9 | -53.7 | -179.8 | 0 | 0 | 0 | 112.7 | T178 F186 F195 L236 V239 C270 T274 | T178-L182 HydrophobicContact CG2-CD1 4.35Å; T178-L182 WeakPolarHBondContact O-CA 3.36Å; T178-L182 WeakPolarHBondContact O-CB 3.38Å; T178-L182 PolarHBondContact O-N 2.88Å; L182-F186 HydrophobicContact CB-CD2 3.59Å; L182-F186 HydrophobicContact CB-CE2 3.38Å; L182-F186 HydrophobicContact CB-CZ 4.37Å; L182-F186 HydrophobicContact CD1-CD2 4.04Å; L182-F186 HydrophobicContact CD1-CE1 4.26Å; L182-F186 HydrophobicContact CD1-CE2 3.34Å; L182-F186 HydrophobicContact CD1-CZ 3.46Å; L182-F186 VanDerWaalsContact CD1-CZ 3.46Å; L182-F186 HydrophobicContact CG-CD2 4.43Å; L182-F186 HydrophobicContact CG-CE2 4Å; L182-F195 HydrophobicContact CD1-CE2 4.19Å; L182-L236 HydrophobicContact CD1-CD2 3.59Å; L182-L236 HydrophobicContact CD2-CD2 3.75Å; L182-L236 HydrophobicContact CG-CD2 4.34Å; L182-V239 HydrophobicContact CB-CG1 3.95Å; L182-V239 HydrophobicContact CD2-CG1 4.37Å; L182-V239 WeakPolarHBondContact O-CG1 3.37Å; L182-C270 HydrophobicContact CD2-CB 3.91Å; L182-T274 HydrophobicContact CD1-CG2 4.06Å; L182-T274 HydrophobicContact CD2-CG2 4.11Å; L182-T274 HydrophobicContact CG-CG2 4.01Å |
| 183 | G | 93.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | 94.7 | -162.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T178 Q179 R185 F186 | T178-G183 PolarHBondContact O-N 3.03Å; Q179-G183 WeakPolarHBondContact O-CA 3.35Å; Q179-G183 PolarHBondContact O-N 3.08Å; G183-R185 PolarHBondContact O-N 2.93Å; G183-R185 VanDerWaalsContact O-N 3.11Å; G183-F186 PolarHBondContact O-N 3.26Å | ||
| 184 | E | 90.4 | Very high | 94.2 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 41% | 0.411 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -70.1 | -13.2 | -161.6 | -58.1 | -176.6 | 106.6 | 0 | 0 | 115.4 | F186 K187 K248 | E184-F186 PolarHBondContact O-N 2.99Å; E184-K187 HydrophobicContact CB-CD 4.09Å; E184-K187 VanDerWaalsContact O-CB 3.27Å; E184-K187 WeakPolarHBondContact O-CB 3.43Å; E184-K187 WeakPolarHBondContact O-CG 3.15Å; E184-K187 PolarHBondContact O-N 2.82Å; E184-K187 IonicContact OE1-NZ 3.73Å; E184-K187 PolarHBondContact OE1-NZ 3.01Å; E184-K248 IonicContact OE2-NZ 2.82Å; E184-K248 PolarHBondContact OE2-NZ 3.45Å |
| 185 | R | 91.8 | Very high | 94.1 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 28% | 0.275 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -55 | -37.2 | 174.4 | 179.8 | 171.8 | 175.1 | 173.7 | -9.3 | 111.5 | G183 K187 D188 E191 S238 E242 | G183-R185 PolarHBondContact O-N 2.93Å; G183-R185 VanDerWaalsContact O-N 3.11Å; R185-K187 PolarHBondContact O-N 2.61Å; R185-D188 PolarHBondContact O-N 2.96Å; R185-E191 HydrophobicContact CG-CG 4.03Å; R185-E191 IonicContact CZ-OE1 2.79Å; R185-E191 IonicContact CZ-OE2 2.72Å; R185-E191 IonicContact NE-OE1 3.35Å; R185-E191 PolarHBondContact NE-OE1 3.3Å; R185-E191 IonicContact NE-OE2 2.74Å; R185-E191 PolarHBondContact NE-OE2 3.08Å; R185-E191 IonicContact NH2-OE1 3.97Å; R185-E191 PolarHBondContact NH2-OE1 3.39Å; R185-E191 IonicContact NH2-OE2 3.94Å; R185-E191 PolarHBondContact NH2-OE2 2.92Å; R185-S238 PolarHBondContact NH1-OG 2.9Å; R185-E242 IonicContact NH1-OE1 3.84Å; R185-E242 PolarHBondContact NH1-OE1 3.41Å; R185-E242 IonicContact NH1-OE2 3.46Å |
| 186 | F | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -84.1 | 18.4 | -180 | -62.6 | -88.8 | 0 | 0 | 0 | 113.6 | T178 Q179 L182 G183 E184 D188 E191 I192 F195 M235 V239 | T178-F186 HydrophobicContact CG2-CD1 4.06Å; T178-F186 HydrophobicContact CG2-CE1 4.34Å; T178-F186 HydrophobicContact CG2-CG 4.44Å; T178-F186 WeakPolarHBondContact OG1-CB 3.32Å; Q179-F186 HydrophobicContact CG-CB 3.93Å; Q179-F186 WeakPolarHBondContact CG-O 3.46Å; Q179-F186 PolarHBondContact NE2-O 3.11Å; L182-F186 HydrophobicContact CB-CD2 3.59Å; L182-F186 HydrophobicContact CB-CE2 3.38Å; L182-F186 HydrophobicContact CB-CZ 4.37Å; L182-F186 HydrophobicContact CD1-CD2 4.04Å; L182-F186 HydrophobicContact CD1-CE1 4.26Å; L182-F186 HydrophobicContact CD1-CE2 3.34Å; L182-F186 HydrophobicContact CD1-CZ 3.46Å; L182-F186 VanDerWaalsContact CD1-CZ 3.46Å; L182-F186 HydrophobicContact CG-CD2 4.43Å; L182-F186 HydrophobicContact CG-CE2 4Å; G183-F186 PolarHBondContact O-N 3.26Å; E184-F186 PolarHBondContact O-N 2.99Å; F186-D188 VanDerWaalsContact C-N 3.28Å; F186-E191 HydrophobicContact CD1-CB 4.16Å; F186-E191 HydrophobicContact CE1-CB 4.36Å; F186-I192 HydrophobicContact CB-CG1 4.41Å; F186-I192 HydrophobicContact CD1-CG1 4.47Å; F186-I192 WeakPolarHBondContact O-CD1 3.29Å; F186-F195 HydrophobicContact CE1-CB 3.99Å; F186-F195 AromaticContact CE1-CD2 3.95Å; F186-F195 HydrophobicContact CE1-CD2 3.95Å; F186-F195 HydrophobicContact CE1-CG 4.2Å; F186-F195 HydrophobicContact CZ-CD2 4.32Å; F186-M235 HydrophobicContact CE1-SD 4.07Å; F186-M235 HydrophobicContact CZ-SD 3.91Å; F186-V239 HydrophobicContact CE2-CG2 3.94Å; F186-V239 HydrophobicContact CZ-CG2 4.36Å |
| 187 | K | 90.5 | Very high | 94 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -73.4 | -26.4 | 160.3 | -70.8 | 175.7 | 176.4 | 175.7 | 0 | 111.4 | E184 R185 | E184-K187 HydrophobicContact CB-CD 4.09Å; E184-K187 VanDerWaalsContact O-CB 3.27Å; E184-K187 WeakPolarHBondContact O-CB 3.43Å; E184-K187 WeakPolarHBondContact O-CG 3.15Å; E184-K187 PolarHBondContact O-N 2.82Å; E184-K187 IonicContact OE1-NZ 3.73Å; E184-K187 PolarHBondContact OE1-NZ 3.01Å; R185-K187 PolarHBondContact O-N 2.61Å |
| 188 | D | 92.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -79.1 | 122.2 | 176.2 | -170.9 | -15.9 | 0 | 0 | 0 | 110.3 | R185 F186 A190 E191 I192 | R185-D188 PolarHBondContact O-N 2.96Å; F186-D188 VanDerWaalsContact C-N 3.28Å; D188-A190 PolarHBondContact O-N 3.38Å; D188-A190 WeakPolarHBondContact OD1-CB 3.31Å; D188-A190 PolarHBondContact OD1-N 3.07Å; D188-E191 HydrophobicContact CB-CB 4.46Å; D188-E191 HydrophobicContact CB-CG 4.15Å; D188-E191 PolarHBondContact O-N 2.8Å; D188-I192 PolarHBondContact O-N 3.23Å |
| 189 | D | 90.5 | Very high | 93.8 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -25.1 | 179.6 | -68.5 | -24.5 | 0 | 0 | 0 | 111.9 | K175 I192 I193 | K175-D189 IonicContact NZ-OD1 3.49Å; K175-D189 PolarHBondContact NZ-OD1 2.92Å; D189-I192 PolarHBondContact O-N 3.36Å; D189-I193 WeakPolarHBondContact O-CD1 3.48Å; D189-I193 WeakPolarHBondContact O-CG1 3.2Å; D189-I193 PolarHBondContact O-N 2.9Å |
| 190 | A | 93.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 50% | 0.504 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D188 I193 S194 | D188-A190 PolarHBondContact O-N 3.38Å; D188-A190 WeakPolarHBondContact OD1-CB 3.31Å; D188-A190 PolarHBondContact OD1-N 3.07Å; A190-I193 PolarHBondContact O-N 3.28Å; A190-S194 PolarHBondContact O-N 3.31Å |
| 191 | E | 94.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.1 | -68.9 | -75 | -174.6 | 0 | 0 | 110.8 | R185 F186 D188 S194 F195 | R185-E191 HydrophobicContact CG-CG 4.03Å; R185-E191 IonicContact CZ-OE1 2.79Å; R185-E191 IonicContact CZ-OE2 2.72Å; R185-E191 IonicContact NE-OE1 3.35Å; R185-E191 PolarHBondContact NE-OE1 3.3Å; R185-E191 IonicContact NE-OE2 2.74Å; R185-E191 PolarHBondContact NE-OE2 3.08Å; R185-E191 IonicContact NH2-OE1 3.97Å; R185-E191 PolarHBondContact NH2-OE1 3.39Å; R185-E191 IonicContact NH2-OE2 3.94Å; R185-E191 PolarHBondContact NH2-OE2 2.92Å; F186-E191 HydrophobicContact CD1-CB 4.16Å; F186-E191 HydrophobicContact CE1-CB 4.36Å; D188-E191 HydrophobicContact CB-CB 4.46Å; D188-E191 HydrophobicContact CB-CG 4.15Å; D188-E191 PolarHBondContact O-N 2.8Å; E191-S194 PolarHBondContact O-N 2.79Å; E191-F195 WeakPolarHBondContact O-CB 3.26Å; E191-F195 PolarHBondContact O-N 3.2Å |
| 192 | I | 94.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.9 | -60.9 | 170.7 | 0 | 0 | 0 | 111.1 | L174 K175 F186 D188 D189 F195 R196 | L174-I192 HydrophobicContact CB-CG2 4.14Å; K175-I192 HydrophobicContact CB-CD1 3.82Å; K175-I192 HydrophobicContact CD-CD1 3.7Å; K175-I192 HydrophobicContact CG-CD1 3.55Å; F186-I192 HydrophobicContact CB-CG1 4.41Å; F186-I192 HydrophobicContact CD1-CG1 4.47Å; F186-I192 WeakPolarHBondContact O-CD1 3.29Å; D188-I192 PolarHBondContact O-N 3.23Å; D189-I192 PolarHBondContact O-N 3.36Å; I192-F195 PolarHBondContact O-N 3.4Å; I192-R196 VanDerWaalsContact O-CB 3.26Å; I192-R196 WeakPolarHBondContact O-CB 3.4Å; I192-R196 PolarHBondContact O-N 3.32Å |
| 193 | I | 93.9 | Very high | 92.7 | Very high | 118 Ų | 118 | 49.7 Ų | 49.7 | 61% | 0.605 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 178.7 | -70.6 | 162.3 | 0 | 0 | 0 | 110.8 | D189 A190 R196 K197 | D189-I193 WeakPolarHBondContact O-CD1 3.48Å; D189-I193 WeakPolarHBondContact O-CG1 3.2Å; D189-I193 PolarHBondContact O-N 2.9Å; A190-I193 PolarHBondContact O-N 3.28Å; I193-R196 PolarHBondContact O-N 3.47Å; I193-K197 PolarHBondContact O-N 2.72Å; I193-K197 VanDerWaalsContact O-N 3.07Å |
| 194 | S | 93.7 | Very high | 92.1 | Very high | 54 Ų | 54 | 52 Ų | 52 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | A190 E191 R196 K197 N198 | A190-S194 PolarHBondContact O-N 3.31Å; E191-S194 PolarHBondContact O-N 2.79Å; S194-R196 PolarHBondContact O-N 2.89Å; S194-K197 PolarHBondContact O-N 3.26Å; S194-N198 PolarHBondContact O-N 3.28Å |
| 195 | F | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 176.1 | -177.5 | -81.9 | 0 | 0 | 0 | 111.3 | L174 T178 L182 F186 E191 I192 K197 N198 H199 M232 M235 L236 T274 | L174-F195 HydrophobicContact CD2-CD1 3.74Å; L174-F195 HydrophobicContact CD2-CE1 3.77Å; T178-F195 HydrophobicContact CG2-CD1 3.81Å; T178-F195 HydrophobicContact CG2-CD2 4.12Å; T178-F195 HydrophobicContact CG2-CE1 3.79Å; T178-F195 HydrophobicContact CG2-CE2 4.09Å; T178-F195 HydrophobicContact CG2-CG 4.01Å; T178-F195 HydrophobicContact CG2-CZ 3.96Å; L182-F195 HydrophobicContact CD1-CE2 4.19Å; F186-F195 HydrophobicContact CE1-CB 3.99Å; F186-F195 AromaticContact CE1-CD2 3.95Å; F186-F195 HydrophobicContact CE1-CD2 3.95Å; F186-F195 HydrophobicContact CE1-CG 4.2Å; F186-F195 HydrophobicContact CZ-CD2 4.32Å; E191-F195 WeakPolarHBondContact O-CB 3.26Å; E191-F195 PolarHBondContact O-N 3.2Å; I192-F195 PolarHBondContact O-N 3.4Å; F195-K197 VanDerWaalsContact C-N 3.32Å; F195-K197 PolarHBondContact O-N 2.93Å; F195-N198 PolarHBondContact O-N 3.05Å; F195-H199 HydrophobicContact CD1-CB 4.13Å; F195-H199 HydrophobicContact CE1-CB 3.87Å; F195-H199 AromaticContact CE1-CD2 3.87Å; F195-H199 VanDerWaalsContact O-CB 3.29Å; F195-H199 WeakPolarHBondContact O-CB 3.44Å; F195-H199 PolarHBondContact O-N 3.45Å; F195-M232 HydrophobicContact CD1-CE 4.12Å; F195-M232 HydrophobicContact CD2-CE 3.73Å; F195-M232 HydrophobicContact CD2-SD 3.47Å; F195-M232 WeakPolarHBondContact CD2-SD 3.38Å; F195-M232 HydrophobicContact CE1-CE 3.9Å; F195-M232 HydrophobicContact CE2-CE 3.48Å; F195-M232 VanDerWaalsContact CE2-CE 3.48Å; F195-M232 HydrophobicContact CE2-SD 3.37Å; F195-M232 WeakPolarHBondContact CE2-SD 3.48Å; F195-M232 HydrophobicContact CG-CE 4.02Å; F195-M232 HydrophobicContact CG-SD 4.24Å; F195-M232 HydrophobicContact CZ-CE 3.54Å; F195-M232 HydrophobicContact CZ-SD 4.07Å; F195-M232 WeakPolarHBondContact O-CE 3.44Å; F195-M235 HydrophobicContact CB-CE 4.32Å; F195-M235 HydrophobicContact CB-SD 4.19Å; F195-M235 HydrophobicContact CD2-SD 3.8Å; F195-M235 HydrophobicContact CG-SD 4.49Å; F195-L236 HydrophobicContact CE2-CD2 4.44Å; F195-T274 HydrophobicContact CZ-CG2 4.48Å |
| 196 | R | 95.8 | Very high | 90.5 | Very high | 86 Ų | 86 | 45 Ų | 45 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.4 | -45.8 | 179.9 | 179.4 | 174.5 | 176.8 | -179.9 | 2.6 | 111.8 | L174 I192 I193 S194 N198 H199 D200 | L174-R196 HydrophobicContact CD1-CB 3.8Å; L174-R196 HydrophobicContact CD1-CG 3.58Å; I192-R196 VanDerWaalsContact O-CB 3.26Å; I192-R196 WeakPolarHBondContact O-CB 3.4Å; I192-R196 PolarHBondContact O-N 3.32Å; I193-R196 PolarHBondContact O-N 3.47Å; S194-R196 PolarHBondContact O-N 2.89Å; R196-N198 VanDerWaalsContact C-N 3.29Å; R196-N198 PolarHBondContact O-N 3.4Å; R196-H199 PolarHBondContact O-N 2.91Å; R196-D200 WeakPolarHBondContact CG-OD2 3.47Å; R196-D200 IonicContact NE-OD2 2.63Å; R196-D200 PolarHBondContact NE-OD2 2.88Å; R196-D200 WeakPolarHBondContact O-CB 3.22Å; R196-D200 PolarHBondContact O-N 3.47Å |
| 197 | K | 94.9 | Very high | 88.8 | Confident | 126 Ų | 126 | 45.1 Ų | 45.1 | 55% | 0.548 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 179.9 | -179.5 | -168.5 | 170.5 | -158.7 | 0 | 111.5 | I193 S194 F195 A201 | I193-K197 PolarHBondContact O-N 2.72Å; I193-K197 VanDerWaalsContact O-N 3.07Å; S194-K197 PolarHBondContact O-N 3.26Å; F195-K197 VanDerWaalsContact C-N 3.32Å; F195-K197 PolarHBondContact O-N 2.93Å; K197-A201 WeakPolarHBondContact O-CB 3.31Å; K197-A201 PolarHBondContact O-N 3.37Å; K197-A201 VanDerWaalsContact O-N 3.17Å |
| 198 | N | 95.2 | Very high | 87.2 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.7 | -39.4 | 178.8 | -67.8 | -24 | 0 | 0 | 0 | 111.6 | S194 F195 R196 A201 I202 A228 E231 M232 | S194-N198 PolarHBondContact O-N 3.28Å; F195-N198 PolarHBondContact O-N 3.05Å; R196-N198 VanDerWaalsContact C-N 3.29Å; R196-N198 PolarHBondContact O-N 3.4Å; N198-A201 PolarHBondContact O-N 3.4Å; N198-I202 WeakPolarHBondContact O-CB 3.39Å; N198-I202 WeakPolarHBondContact O-CD1 3.43Å; N198-I202 WeakPolarHBondContact O-CG1 3.43Å; N198-I202 PolarHBondContact O-N 2.86Å; N198-A228 HydrophobicContact CB-CB 4.44Å; N198-E231 WeakPolarHBondContact ND2-CB 3.33Å; N198-E231 PolarHBondContact OD1-OE2 3.47Å; N198-M232 HydrophobicContact CB-CB 4.12Å; N198-M232 HydrophobicContact CB-CE 3.88Å; N198-M232 HydrophobicContact CB-SD 4.31Å |
| 199 | H | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.5 | -51.4 | 175.1 | 176.7 | -70.4 | 0 | 0 | 0 | 111.1 | L174 F195 R196 A201 I202 W203 M232 L275 | L174-H199 HydrophobicContact CD2-CB 4.46Å; F195-H199 HydrophobicContact CD1-CB 4.13Å; F195-H199 HydrophobicContact CE1-CB 3.87Å; F195-H199 AromaticContact CE1-CD2 3.87Å; F195-H199 VanDerWaalsContact O-CB 3.29Å; F195-H199 WeakPolarHBondContact O-CB 3.44Å; F195-H199 PolarHBondContact O-N 3.45Å; R196-H199 PolarHBondContact O-N 2.91Å; H199-A201 PolarHBondContact O-N 3.43Å; H199-I202 PolarHBondContact O-N 3.02Å; H199-W203 VanDerWaalsContact O-CB 3.28Å; H199-W203 WeakPolarHBondContact O-CB 3.44Å; H199-W203 PolarHBondContact O-N 3.49Å; H199-M232 HydrophobicContact CB-CE 3.84Å; H199-L275 HydrophobicContact CB-CD2 4.5Å; H199-L275 PolarHBondContact NE2-O 3.38Å |
| 200 | D | 91.4 | Very high | 82.7 | Confident | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 179.6 | -73.1 | -21.4 | 0 | 0 | 0 | 110.8 | R196 S204 | R196-D200 WeakPolarHBondContact CG-OD2 3.47Å; R196-D200 IonicContact NE-OD2 2.63Å; R196-D200 PolarHBondContact NE-OD2 2.88Å; R196-D200 WeakPolarHBondContact O-CB 3.22Å; R196-D200 PolarHBondContact O-N 3.47Å; D200-S204 WeakPolarHBondContact O-CB 3.12Å; D200-S204 PolarHBondContact O-N 2.93Å; D200-S204 PolarHBondContact O-OG 3.04Å |
| 201 | A | 90.2 | Very high | 80.4 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K197 N198 H199 S204 E205 A228 | K197-A201 WeakPolarHBondContact O-CB 3.31Å; K197-A201 PolarHBondContact O-N 3.37Å; K197-A201 VanDerWaalsContact O-N 3.17Å; N198-A201 PolarHBondContact O-N 3.4Å; H199-A201 PolarHBondContact O-N 3.43Å; A201-S204 PolarHBondContact O-OG 2.98Å; A201-E205 WeakPolarHBondContact O-CG 3.45Å; A201-E205 PolarHBondContact O-N 3.26Å; A201-A228 HydrophobicContact CB-CB 3.63Å |
| 202 | I | 90.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -51.3 | 178 | -67 | 161.9 | 0 | 0 | 0 | 110.2 | L108 N198 H199 S204 E205 I206 Y225 A228 L229 M232 L275 | L108-I202 HydrophobicContact CD2-CG2 3.95Å; N198-I202 WeakPolarHBondContact O-CB 3.39Å; N198-I202 WeakPolarHBondContact O-CD1 3.43Å; N198-I202 WeakPolarHBondContact O-CG1 3.43Å; N198-I202 PolarHBondContact O-N 2.86Å; H199-I202 PolarHBondContact O-N 3.02Å; I202-S204 PolarHBondContact O-N 3.38Å; I202-E205 PolarHBondContact O-N 3.17Å; I202-I206 HydrophobicContact CG2-CD1 3.65Å; I202-I206 HydrophobicContact CG2-CG1 4.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.32Å; I202-I206 PolarHBondContact O-N 2.8Å; I202-Y225 HydrophobicContact CB-CE2 4.39Å; I202-Y225 HydrophobicContact CG1-CE2 4.42Å; I202-Y225 HydrophobicContact CG2-CE2 4.1Å; I202-A228 HydrophobicContact CG1-CB 4.18Å; I202-L229 HydrophobicContact CD1-CD1 4.3Å; I202-L229 HydrophobicContact CG1-CB 4.48Å; I202-M232 HydrophobicContact CD1-CB 3.77Å; I202-M232 HydrophobicContact CD1-CE 4.43Å; I202-M232 HydrophobicContact CD1-CG 4.06Å; I202-L275 HydrophobicContact CB-CD2 4.27Å; I202-L275 HydrophobicContact CG2-CD1 3.81Å; I202-L275 HydrophobicContact CG2-CD2 3.97Å |
| 203 | W | 86.8 | Confident | 75.9 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | -175.1 | -167.9 | -91.9 | 0 | 0 | 0 | 112.2 | L104 H199 E205 I206 G207 L275 A276 I279 V447 | L104-W203 HydrophobicContact CD1-CZ3 4.34Å; H199-W203 VanDerWaalsContact O-CB 3.28Å; H199-W203 WeakPolarHBondContact O-CB 3.44Å; H199-W203 PolarHBondContact O-N 3.49Å; W203-E205 PolarHBondContact O-N 3.49Å; W203-I206 PolarHBondContact O-N 3.12Å; W203-G207 PolarHBondContact O-N 3.19Å; W203-L275 HydrophobicContact CE3-CB 4.2Å; W203-L275 HydrophobicContact CZ3-CB 4.25Å; W203-A276 HydrophobicContact CZ3-CB 4.43Å; W203-I279 HydrophobicContact CD2-CB 4.42Å; W203-I279 HydrophobicContact CD2-CD1 4.44Å; W203-I279 HydrophobicContact CD2-CG1 3.64Å; W203-I279 HydrophobicContact CE3-CG1 4.16Å; W203-I279 HydrophobicContact CG-CD1 4.19Å; W203-I279 HydrophobicContact CG-CG1 3.89Å; W203-I279 HydrophobicContact CH2-CB 4.29Å; W203-I279 HydrophobicContact CH2-CG1 4.49Å; W203-I279 HydrophobicContact CH2-CG2 4.41Å; W203-I279 HydrophobicContact CZ2-CB 3.88Å; W203-I279 HydrophobicContact CZ2-CG1 4.02Å; W203-I279 HydrophobicContact CZ2-CG2 3.6Å; W203-V447 HydrophobicContact CZ2-CG2 4.34Å |
| 204 | S | 81.6 | Confident | 74.1 | Confident | 50 Ų | 50 | 30.8 Ų | 30.8 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.1 | -30.2 | 176.1 | 65.5 | 0 | 0 | 0 | 0 | 112 | D200 A201 I202 K208 | D200-S204 WeakPolarHBondContact O-CB 3.12Å; D200-S204 PolarHBondContact O-N 2.93Å; D200-S204 PolarHBondContact O-OG 3.04Å; A201-S204 PolarHBondContact O-OG 2.98Å; I202-S204 PolarHBondContact O-N 3.38Å; S204-K208 WeakPolarHBondContact O-CA 3.43Å; S204-K208 WeakPolarHBondContact O-CB 3.31Å; S204-K208 WeakPolarHBondContact O-CG 3.48Å; S204-K208 PolarHBondContact O-N 3.4Å |
| 205 | E | 77.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 28.3 Ų | 28.3 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -87.2 | -33.7 | 176.3 | -61.2 | -65.5 | -175.3 | 0 | 0 | 112.5 | A201 I202 W203 G207 K208 G209 Y210 R221 Y225 | A201-E205 WeakPolarHBondContact O-CG 3.45Å; A201-E205 PolarHBondContact O-N 3.26Å; I202-E205 PolarHBondContact O-N 3.17Å; W203-E205 PolarHBondContact O-N 3.49Å; E205-G207 PolarHBondContact O-N 3.01Å; E205-K208 CarbonylContact O-C 3.59Å; E205-K208 PolarHBondContact O-N 2.94Å; E205-G209 PolarHBondContact O-N 3.01Å; E205-G209 WeakPolarHBondContact OE2-CA 3.38Å; E205-G209 PolarHBondContact OE2-N 3.39Å; E205-Y210 PolarHBondContact O-N 2.87Å; E205-R221 IonicContact OE1-CZ 3.63Å; E205-R221 IonicContact OE1-NE 2.75Å; E205-R221 PolarHBondContact OE1-NE 3.17Å; E205-R221 IonicContact OE1-NH2 3.84Å; E205-R221 PolarHBondContact OE1-NH2 3.07Å; E205-R221 IonicContact OE2-CZ 3.41Å; E205-R221 IonicContact OE2-NE 3.23Å; E205-R221 IonicContact OE2-NH2 3.47Å; E205-R221 PolarHBondContact OE2-NH2 3.28Å; E205-Y225 HydrophobicContact CB-CD2 3.73Å; E205-Y225 HydrophobicContact CB-CE2 4.38Å; E205-Y225 HydrophobicContact CB-CG 4.37Å; E205-Y225 HydrophobicContact CG-CD2 4.24Å |
| 206 | I | 70.4 | Confident | 71 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.8 | -40.6 | 166.3 | -75.9 | 174.1 | 0 | 0 | 0 | 110.4 | L104 L107 L108 I202 W203 M211 L275 L446 | L104-I206 HydrophobicContact CD1-CD1 3.87Å; L104-I206 HydrophobicContact CD1-CG2 4.26Å; L107-I206 HydrophobicContact CB-CG1 4.48Å; L107-I206 HydrophobicContact CD1-CG2 4.14Å; L108-I206 HydrophobicContact CD2-CD1 4.13Å; I202-I206 HydrophobicContact CG2-CD1 3.65Å; I202-I206 HydrophobicContact CG2-CG1 4.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.32Å; I202-I206 PolarHBondContact O-N 2.8Å; W203-I206 PolarHBondContact O-N 3.12Å; I206-M211 WeakPolarHBondContact O-CG 3.35Å; I206-L275 HydrophobicContact CD1-CD1 4.28Å; I206-L446 HydrophobicContact CG2-CD1 3.79Å |
| 207 | G | 57 | Low | 69.6 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -88.5 | -23.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F7 W203 E205 M211 | F7-G207 WeakPolarHBondContact CE2-O 3.13Å; W203-G207 PolarHBondContact O-N 3.19Å; E205-G207 PolarHBondContact O-N 3.01Å; G207-M211 WeakPolarHBondContact O-CB 2.84Å; G207-M211 WeakPolarHBondContact O-CE 3.25Å; G207-M211 VanDerWaalsContact O-CG 3.22Å; G207-M211 WeakPolarHBondContact O-CG 3.46Å |
| 208 | K | 56.8 | Low | 68.7 | Low | 108 Ų | 108 | 33.9 Ų | 33.9 | 47% | 0.47 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -68.4 | 179.9 | -62 | 178.5 | 177 | 177.2 | 0 | 112.4 | S204 E205 M211 D212 | S204-K208 WeakPolarHBondContact O-CA 3.43Å; S204-K208 WeakPolarHBondContact O-CB 3.31Å; S204-K208 WeakPolarHBondContact O-CG 3.48Å; S204-K208 PolarHBondContact O-N 3.4Å; E205-K208 CarbonylContact O-C 3.59Å; E205-K208 PolarHBondContact O-N 2.94Å; K208-M211 CarbonylContact O-C 3.6Å; K208-M211 WeakPolarHBondContact O-CA 3.36Å; K208-M211 WeakPolarHBondContact O-CB 3.39Å; K208-M211 PolarHBondContact O-N 3.27Å; K208-D212 PolarHBondContact O-N 3.19Å |
| 209 | G | 44.1 | Very low | 68 | Low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -26.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | E205 D212 M215 R221 | E205-G209 PolarHBondContact O-N 3.01Å; E205-G209 WeakPolarHBondContact OE2-CA 3.38Å; E205-G209 PolarHBondContact OE2-N 3.39Å; G209-D212 WeakPolarHBondContact CA-OD1 3.3Å; G209-M215 WeakPolarHBondContact O-CB 3.44Å; G209-M215 PolarHBondContact O-N 2.96Å; G209-R221 VanDerWaalsContact CA-NH2 3.32Å |
| 210 | Y | 44.4 | Very low | 67.6 | Low | 51 Ų | 51 | 42.8 Ų | 42.8 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -55 | 160.1 | -79 | -84.8 | 0 | 0 | 0 | 107.5 | T10 I14 L107 E205 D212 G213 M215 Y225 | T10-Y210 WeakPolarHBondContact CB-O 3.45Å; T10-Y210 WeakPolarHBondContact CG2-O 3.41Å; T10-Y210 PolarHBondContact OG1-O 3.46Å; I14-Y210 HydrophobicContact CD1-CD1 3.45Å; I14-Y210 VanDerWaalsContact CD1-CD1 3.45Å; I14-Y210 HydrophobicContact CD1-CE1 4.32Å; I14-Y210 HydrophobicContact CD1-CG 4.08Å; L107-Y210 HydrophobicContact CD2-CD1 4.21Å; L107-Y210 HydrophobicContact CD2-CG 4.02Å; L107-Y210 PolarHBondContact O-OH 3.49Å; E205-Y210 PolarHBondContact O-N 2.87Å; Y210-D212 PolarHBondContact O-N 3.46Å; Y210-G213 PolarHBondContact O-N 2.89Å; Y210-M215 HydrophobicContact CD1-CE 4.16Å; Y210-M215 HydrophobicContact CD2-CE 3.94Å; Y210-M215 HydrophobicContact CD2-SD 4.34Å; Y210-M215 HydrophobicContact CE1-CE 3.76Å; Y210-M215 HydrophobicContact CE2-CE 3.46Å; Y210-M215 VanDerWaalsContact CE2-CE 3.46Å; Y210-M215 HydrophobicContact CE2-SD 3.95Å; Y210-M215 HydrophobicContact CG-CE 4.28Å; Y210-M215 VanDerWaalsContact CZ-CE 3.4Å; Y210-Y225 HydrophobicContact CE2-CD1 4.19Å; Y210-Y225 HydrophobicContact CE2-CD2 4.37Å; Y210-Y225 AromaticContact CE2-CE1 3.62Å; Y210-Y225 HydrophobicContact CE2-CE1 3.62Å; Y210-Y225 AromaticContact CE2-CE2 3.8Å; Y210-Y225 HydrophobicContact CE2-CE2 3.8Å; Y210-Y225 AromaticContact CE2-CZ 3.39Å; Y210-Y225 WeakPolarHBondContact CE2-OH 2.9Å; Y210-Y225 AromaticContact CZ-CE1 3.81Å; Y210-Y225 AromaticContact CZ-CZ 3.9Å; Y210-Y225 WeakPolarHBondContact OH-CE1 2.86Å; Y210-Y225 PolarHBondContact OH-OH 2.93Å |
| 211 | M | 44.3 | Very low | 67.1 | Low | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -18.3 | -176.9 | -63.3 | -125.7 | -63.2 | 0 | 0 | 118.1 | F7 V9 T10 F11 I206 G207 K208 | F7-M211 HydrophobicContact CD1-CE 4.39Å; F7-M211 HydrophobicContact CD2-CE 4.14Å; F7-M211 HydrophobicContact CE1-CE 3.76Å; F7-M211 HydrophobicContact CE2-CE 3.42Å; F7-M211 VanDerWaalsContact CE2-CE 3.42Å; F7-M211 HydrophobicContact CZ-CE 3.16Å; V9-M211 CarbonylContact C-O 3.6Å; V9-M211 WeakPolarHBondContact CA-O 3.31Å; V9-M211 WeakPolarHBondContact CB-O 3.16Å; V9-M211 PolarHBondContact N-O 2.89Å; V9-M211 VanDerWaalsContact N-O 3.17Å; T10-M211 WeakPolarHBondContact CB-O 3.18Å; T10-M211 PolarHBondContact N-O 3.15Å; T10-M211 VanDerWaalsContact OG1-CA 3.27Å; T10-M211 WeakPolarHBondContact OG1-CA 3.17Å; T10-M211 PolarHBondContact OG1-O 2.91Å; F11-M211 HydrophobicContact CB-SD 4.16Å; I206-M211 WeakPolarHBondContact O-CG 3.35Å; G207-M211 WeakPolarHBondContact O-CB 2.84Å; G207-M211 WeakPolarHBondContact O-CE 3.25Å; G207-M211 VanDerWaalsContact O-CG 3.22Å; G207-M211 WeakPolarHBondContact O-CG 3.46Å; K208-M211 CarbonylContact O-C 3.6Å; K208-M211 WeakPolarHBondContact O-CA 3.36Å; K208-M211 WeakPolarHBondContact O-CB 3.39Å; K208-M211 PolarHBondContact O-N 3.27Å |
| 212 | D | 46.4 | Very low | 66.8 | Low | 15 Ų | 15 | 45.8 Ų | 45.8 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 3.3 | -179.9 | 60.6 | 13.3 | 0 | 0 | 0 | 115.4 | I6 T10 K208 G209 Y210 S214 | I6-D212 HydrophobicContact CB-CB 3.92Å; I6-D212 HydrophobicContact CG1-CB 4.42Å; I6-D212 HydrophobicContact CG2-CB 3.06Å; I6-D212 WeakPolarHBondContact CG2-OD2 3.5Å; I6-D212 WeakPolarHBondContact O-CA 3.29Å; I6-D212 WeakPolarHBondContact O-CB 3.34Å; T10-D212 PolarHBondContact OG1-N 3.25Å; K208-D212 PolarHBondContact O-N 3.19Å; G209-D212 WeakPolarHBondContact CA-OD1 3.3Å; Y210-D212 PolarHBondContact O-N 3.46Å; D212-S214 PolarHBondContact O-N 3.49Å; D212-S214 WeakPolarHBondContact OD1-CA 3.35Å; D212-S214 WeakPolarHBondContact OD1-CB 3.12Å; D212-S214 PolarHBondContact OD1-N 3.43Å; D212-S214 PolarHBondContact OD1-OG 2.81Å; D212-S214 WeakPolarHBondContact OD2-CB 3.17Å; D212-S214 PolarHBondContact OD2-OG 3.07Å |
| 213 | G | 48.9 | Very low | 66.6 | Low | 26 Ų | 26 | 48.3 Ų | 48.3 | 27% | 0.268 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 58.6 | 11 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y210 M215 E216 K217 | Y210-G213 PolarHBondContact O-N 2.89Å; G213-M215 VanDerWaalsContact C-N 3.3Å; G213-E216 PolarHBondContact O-N 3.28Å; G213-K217 WeakPolarHBondContact O-CG 3.22Å; G213-K217 PolarHBondContact O-N 3.4Å |
| 214 | S | 55.8 | Low | 66.7 | Low | 17 Ų | 17 | 52 Ų | 52 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75 | -21.5 | -178.6 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | D212 E216 K217 S218 R221 | D212-S214 PolarHBondContact O-N 3.49Å; D212-S214 WeakPolarHBondContact OD1-CA 3.35Å; D212-S214 WeakPolarHBondContact OD1-CB 3.12Å; D212-S214 PolarHBondContact OD1-N 3.43Å; D212-S214 PolarHBondContact OD1-OG 2.81Å; D212-S214 WeakPolarHBondContact OD2-CB 3.17Å; D212-S214 PolarHBondContact OD2-OG 3.07Å; S214-E216 VanDerWaalsContact C-N 3.35Å; S214-K217 CarbonylContact O-C 3.49Å; S214-K217 PolarHBondContact O-N 2.88Å; S214-S218 WeakPolarHBondContact O-CB 3.44Å; S214-S218 PolarHBondContact O-N 3.25Å; S214-R221 VanDerWaalsContact OG-CZ 3.26Å; S214-R221 PolarHBondContact OG-NH1 3.04Å; S214-R221 PolarHBondContact OG-NH2 2.94Å |
| 215 | M | 61 | Low | 67 | Low | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 170.5 | -172.3 | -179.2 | 66.6 | 0 | 0 | 110.3 | G209 Y210 G213 K217 S218 K222 Y225 | G209-M215 WeakPolarHBondContact O-CB 3.44Å; G209-M215 PolarHBondContact O-N 2.96Å; Y210-M215 HydrophobicContact CD1-CE 4.16Å; Y210-M215 HydrophobicContact CD2-CE 3.94Å; Y210-M215 HydrophobicContact CD2-SD 4.34Å; Y210-M215 HydrophobicContact CE1-CE 3.76Å; Y210-M215 HydrophobicContact CE2-CE 3.46Å; Y210-M215 VanDerWaalsContact CE2-CE 3.46Å; Y210-M215 HydrophobicContact CE2-SD 3.95Å; Y210-M215 HydrophobicContact CG-CE 4.28Å; Y210-M215 VanDerWaalsContact CZ-CE 3.4Å; G213-M215 VanDerWaalsContact C-N 3.3Å; M215-K217 PolarHBondContact O-N 2.87Å; M215-S218 CarbonylContact O-C 3.59Å; M215-S218 PolarHBondContact O-N 3.31Å; M215-K222 HydrophobicContact CG-CB 3.82Å; M215-K222 HydrophobicContact CG-CG 4.34Å; M215-Y225 HydrophobicContact CE-CD1 4.35Å; M215-Y225 HydrophobicContact SD-CD1 3.74Å; M215-Y225 HydrophobicContact SD-CD2 4.47Å; M215-Y225 HydrophobicContact SD-CG 3.72Å |
| 216 | E | 62.6 | Low | 67.6 | Low | 120 Ų | 120 | 54 Ų | 54 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.9 | -26.5 | 176.6 | -67.8 | -61.2 | 154.8 | 0 | 0 | 112.6 | G213 S214 S218 K222 | G213-E216 PolarHBondContact O-N 3.28Å; S214-E216 VanDerWaalsContact C-N 3.35Å; E216-S218 VanDerWaalsContact C-N 3.31Å; E216-K222 IonicContact OE1-NZ 2.61Å; E216-K222 PolarHBondContact OE1-NZ 3.34Å; E216-K222 IonicContact OE2-NZ 3.37Å; E216-K222 PolarHBondContact OE2-NZ 2.9Å |
| 217 | K | 67.3 | Low | 68.7 | Low | 178 Ų | 178 | 59.7 Ų | 59.7 | 77% | 0.774 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -80.4 | -11.3 | 174.8 | -62.6 | 170.2 | -174.2 | 167 | 0 | 113 | G213 S214 M215 | G213-K217 WeakPolarHBondContact O-CG 3.22Å; G213-K217 PolarHBondContact O-N 3.4Å; S214-K217 CarbonylContact O-C 3.49Å; S214-K217 PolarHBondContact O-N 2.88Å; M215-K217 PolarHBondContact O-N 2.87Å |
| 218 | S | 76.9 | Confident | 70.5 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | trans | -128.9 | 98.5 | -176.4 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | S214 M215 E216 S220 R221 K222 | S214-S218 WeakPolarHBondContact O-CB 3.44Å; S214-S218 PolarHBondContact O-N 3.25Å; M215-S218 CarbonylContact O-C 3.59Å; M215-S218 PolarHBondContact O-N 3.31Å; E216-S218 VanDerWaalsContact C-N 3.31Å; S218-S220 PolarHBondContact O-N 3.43Å; S218-S220 VanDerWaalsContact O-N 3.15Å; S218-S220 PolarHBondContact OG-OG 3.38Å; S218-R221 PolarHBondContact O-N 3.31Å; S218-R221 VanDerWaalsContact O-N 3.12Å; S218-R221 WeakPolarHBondContact OG-CG 3.25Å; S218-R221 PolarHBondContact OG-N 3.17Å; S218-K222 PolarHBondContact O-N 3.08Å | ||
| 219 | S | 80.4 | Confident | 72.2 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -55.6 | -33.4 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | A223 | S219-A223 VanDerWaalsContact O-CB 3.23Å; S219-A223 WeakPolarHBondContact O-CB 3.32Å; S219-A223 PolarHBondContact O-N 3.21Å |
| 220 | S | 84.4 | Confident | 74.7 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 60% | 0.601 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.2 | -42.1 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | S218 H224 | S218-S220 PolarHBondContact O-N 3.43Å; S218-S220 VanDerWaalsContact O-N 3.15Å; S218-S220 PolarHBondContact OG-OG 3.38Å; S220-H224 WeakPolarHBondContact O-CB 3.28Å; S220-H224 PolarHBondContact O-N 2.94Å |
| 221 | R | 82.2 | Confident | 77.2 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.4 | -72.9 | 179.2 | 63 | -166.2 | -7.2 | 111.4 | E205 G209 S214 S218 A223 H224 Y225 | E205-R221 IonicContact OE1-CZ 3.63Å; E205-R221 IonicContact OE1-NE 2.75Å; E205-R221 PolarHBondContact OE1-NE 3.17Å; E205-R221 IonicContact OE1-NH2 3.84Å; E205-R221 PolarHBondContact OE1-NH2 3.07Å; E205-R221 IonicContact OE2-CZ 3.41Å; E205-R221 IonicContact OE2-NE 3.23Å; E205-R221 IonicContact OE2-NH2 3.47Å; E205-R221 PolarHBondContact OE2-NH2 3.28Å; G209-R221 VanDerWaalsContact CA-NH2 3.32Å; S214-R221 VanDerWaalsContact OG-CZ 3.26Å; S214-R221 PolarHBondContact OG-NH1 3.04Å; S214-R221 PolarHBondContact OG-NH2 2.94Å; S218-R221 PolarHBondContact O-N 3.31Å; S218-R221 VanDerWaalsContact O-N 3.12Å; S218-R221 WeakPolarHBondContact OG-CG 3.25Å; S218-R221 PolarHBondContact OG-N 3.17Å; R221-A223 PolarHBondContact O-N 3.04Å; R221-H224 WeakPolarHBondContact O-CB 3.33Å; R221-H224 PolarHBondContact O-N 2.92Å; R221-Y225 PolarHBondContact O-N 2.69Å |
| 222 | K | 82.6 | Confident | 79.6 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 174.2 | -175.9 | 165.8 | 176.8 | 157.3 | 0 | 112 | M215 E216 S218 H224 Y225 E226 | M215-K222 HydrophobicContact CG-CB 3.82Å; M215-K222 HydrophobicContact CG-CG 4.34Å; E216-K222 IonicContact OE1-NZ 2.61Å; E216-K222 PolarHBondContact OE1-NZ 3.34Å; E216-K222 IonicContact OE2-NZ 3.37Å; E216-K222 PolarHBondContact OE2-NZ 2.9Å; S218-K222 PolarHBondContact O-N 3.08Å; K222-H224 VanDerWaalsContact C-N 3.29Å; K222-H224 PolarHBondContact O-N 3.45Å; K222-Y225 PolarHBondContact O-N 3.33Å; K222-E226 WeakPolarHBondContact CE-OE1 3.14Å; K222-E226 HydrophobicContact CG-CG 4.35Å; K222-E226 WeakPolarHBondContact CG-OE1 3.37Å; K222-E226 WeakPolarHBondContact O-CB 3.28Å; K222-E226 WeakPolarHBondContact O-CG 3.03Å; K222-E226 PolarHBondContact O-N 3.46Å |
| 223 | A | 87.1 | Confident | 82 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | S219 R221 K227 | S219-A223 VanDerWaalsContact O-CB 3.23Å; S219-A223 WeakPolarHBondContact O-CB 3.32Å; S219-A223 PolarHBondContact O-N 3.21Å; R221-A223 PolarHBondContact O-N 3.04Å; A223-K227 WeakPolarHBondContact O-CB 3.34Å; A223-K227 PolarHBondContact O-N 3.2Å |
| 224 | H | 89.2 | Confident | 84.3 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 175.2 | -175.8 | 61.2 | 0 | 0 | 0 | 112 | S220 R221 K222 K227 A228 | S220-H224 WeakPolarHBondContact O-CB 3.28Å; S220-H224 PolarHBondContact O-N 2.94Å; R221-H224 WeakPolarHBondContact O-CB 3.33Å; R221-H224 PolarHBondContact O-N 2.92Å; K222-H224 VanDerWaalsContact C-N 3.29Å; K222-H224 PolarHBondContact O-N 3.45Å; H224-K227 PolarHBondContact O-N 2.89Å; H224-A228 WeakPolarHBondContact O-CB 3.07Å; H224-A228 PolarHBondContact O-N 3.34Å |
| 225 | Y | 88.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -52.9 | 175.2 | 171 | -98.7 | 0 | 0 | 0 | 112.1 | L107 I202 E205 Y210 M215 R221 K222 K227 A228 L229 | L107-Y225 PolarHBondContact O-OH 3.26Å; I202-Y225 HydrophobicContact CB-CE2 4.39Å; I202-Y225 HydrophobicContact CG1-CE2 4.42Å; I202-Y225 HydrophobicContact CG2-CE2 4.1Å; E205-Y225 HydrophobicContact CB-CD2 3.73Å; E205-Y225 HydrophobicContact CB-CE2 4.38Å; E205-Y225 HydrophobicContact CB-CG 4.37Å; E205-Y225 HydrophobicContact CG-CD2 4.24Å; Y210-Y225 HydrophobicContact CE2-CD1 4.19Å; Y210-Y225 HydrophobicContact CE2-CD2 4.37Å; Y210-Y225 AromaticContact CE2-CE1 3.62Å; Y210-Y225 HydrophobicContact CE2-CE1 3.62Å; Y210-Y225 AromaticContact CE2-CE2 3.8Å; Y210-Y225 HydrophobicContact CE2-CE2 3.8Å; Y210-Y225 AromaticContact CE2-CZ 3.39Å; Y210-Y225 WeakPolarHBondContact CE2-OH 2.9Å; Y210-Y225 AromaticContact CZ-CE1 3.81Å; Y210-Y225 AromaticContact CZ-CZ 3.9Å; Y210-Y225 WeakPolarHBondContact OH-CE1 2.86Å; Y210-Y225 PolarHBondContact OH-OH 2.93Å; M215-Y225 HydrophobicContact CE-CD1 4.35Å; M215-Y225 HydrophobicContact SD-CD1 3.74Å; M215-Y225 HydrophobicContact SD-CD2 4.47Å; M215-Y225 HydrophobicContact SD-CG 3.72Å; R221-Y225 PolarHBondContact O-N 2.69Å; K222-Y225 PolarHBondContact O-N 3.33Å; Y225-K227 PolarHBondContact O-N 3.33Å; Y225-A228 PolarHBondContact O-N 3.21Å; Y225-A228 VanDerWaalsContact O-N 3.1Å; Y225-L229 HydrophobicContact CE1-CD2 3.99Å; Y225-L229 WeakPolarHBondContact O-CB 3.27Å; Y225-L229 PolarHBondContact O-N 3.31Å |
| 226 | E | 89.4 | Confident | 87.9 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | -178.9 | -72.6 | 174 | 172.7 | 0 | 0 | 111.4 | K222 S230 | K222-E226 WeakPolarHBondContact CE-OE1 3.14Å; K222-E226 HydrophobicContact CG-CG 4.35Å; K222-E226 WeakPolarHBondContact CG-OE1 3.37Å; K222-E226 WeakPolarHBondContact O-CB 3.28Å; K222-E226 WeakPolarHBondContact O-CG 3.03Å; K222-E226 PolarHBondContact O-N 3.46Å; E226-S230 VanDerWaalsContact O-CB 3.26Å; E226-S230 WeakPolarHBondContact O-CB 3.34Å; E226-S230 PolarHBondContact O-N 2.99Å |
| 227 | K | 93.9 | Very high | 89.6 | Confident | 120 Ų | 120 | 59.8 Ų | 59.8 | 52% | 0.522 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 173.4 | 180 | 175.5 | 176.2 | 175.1 | 0 | 111.7 | A223 H224 Y225 L229 S230 E231 | A223-K227 WeakPolarHBondContact O-CB 3.34Å; A223-K227 PolarHBondContact O-N 3.2Å; H224-K227 PolarHBondContact O-N 2.89Å; Y225-K227 PolarHBondContact O-N 3.33Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.01Å; K227-S230 PolarHBondContact O-N 3.13Å; K227-E231 WeakPolarHBondContact CE-OE1 3.29Å; K227-E231 HydrophobicContact CG-CG 4.44Å; K227-E231 IonicContact NZ-OE1 3.51Å; K227-E231 WeakPolarHBondContact O-CB 3.07Å; K227-E231 WeakPolarHBondContact O-CG 2.96Å; K227-E231 PolarHBondContact O-N 3.22Å |
| 228 | A | 94.7 | Very high | 91 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N198 A201 I202 H224 Y225 E231 M232 | N198-A228 HydrophobicContact CB-CB 4.44Å; A201-A228 HydrophobicContact CB-CB 3.63Å; I202-A228 HydrophobicContact CG1-CB 4.18Å; H224-A228 WeakPolarHBondContact O-CB 3.07Å; H224-A228 PolarHBondContact O-N 3.34Å; Y225-A228 PolarHBondContact O-N 3.21Å; Y225-A228 VanDerWaalsContact O-N 3.1Å; A228-E231 PolarHBondContact O-N 3.01Å; A228-M232 VanDerWaalsContact O-CB 3.29Å; A228-M232 WeakPolarHBondContact O-CB 3.34Å; A228-M232 PolarHBondContact O-N 3.13Å |
| 229 | L | 93.1 | Very high | 91.9 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 175.8 | -177.9 | 61.6 | 0 | 0 | 0 | 111.1 | L108 I202 Y225 K227 E231 M232 E233 M271 | L108-L229 HydrophobicContact CD2-CD1 3.81Å; I202-L229 HydrophobicContact CD1-CD1 4.3Å; I202-L229 HydrophobicContact CG1-CB 4.48Å; Y225-L229 HydrophobicContact CE1-CD2 3.99Å; Y225-L229 WeakPolarHBondContact O-CB 3.27Å; Y225-L229 PolarHBondContact O-N 3.31Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.01Å; L229-E231 PolarHBondContact O-N 2.81Å; L229-M232 PolarHBondContact O-N 3.47Å; L229-E233 HydrophobicContact CD1-CG 4.39Å; L229-E233 WeakPolarHBondContact O-CG 3.46Å; L229-E233 PolarHBondContact O-N 3.46Å; L229-M271 HydrophobicContact CD1-CE 3.8Å |
| 230 | S | 95.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 52% | 0.524 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.4 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | E226 K227 E233 S234 | E226-S230 VanDerWaalsContact O-CB 3.26Å; E226-S230 WeakPolarHBondContact O-CB 3.34Å; E226-S230 PolarHBondContact O-N 2.99Å; K227-S230 PolarHBondContact O-N 3.13Å; S230-E233 PolarHBondContact O-N 3.43Å; S230-S234 VanDerWaalsContact O-CB 3.32Å; S230-S234 WeakPolarHBondContact O-CB 3.36Å; S230-S234 PolarHBondContact O-N 3.46Å |
| 231 | E | 96.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.6 | -74.4 | 178.4 | -177.4 | 0 | 0 | 111.6 | N198 K227 A228 L229 M235 | N198-E231 WeakPolarHBondContact ND2-CB 3.33Å; N198-E231 PolarHBondContact OD1-OE2 3.47Å; K227-E231 WeakPolarHBondContact CE-OE1 3.29Å; K227-E231 HydrophobicContact CG-CG 4.44Å; K227-E231 IonicContact NZ-OE1 3.51Å; K227-E231 WeakPolarHBondContact O-CB 3.07Å; K227-E231 WeakPolarHBondContact O-CG 2.96Å; K227-E231 PolarHBondContact O-N 3.22Å; A228-E231 PolarHBondContact O-N 3.01Å; L229-E231 PolarHBondContact O-N 2.81Å; E231-M235 WeakPolarHBondContact O-CB 3.42Å; E231-M235 PolarHBondContact O-N 3.45Å |
| 232 | M | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 176.7 | -172.4 | 69.4 | 101.3 | 0 | 0 | 112 | F195 N198 H199 I202 A228 L229 S234 M235 L236 M271 | F195-M232 HydrophobicContact CD1-CE 4.12Å; F195-M232 HydrophobicContact CD2-CE 3.73Å; F195-M232 HydrophobicContact CD2-SD 3.47Å; F195-M232 WeakPolarHBondContact CD2-SD 3.38Å; F195-M232 HydrophobicContact CE1-CE 3.9Å; F195-M232 HydrophobicContact CE2-CE 3.48Å; F195-M232 VanDerWaalsContact CE2-CE 3.48Å; F195-M232 HydrophobicContact CE2-SD 3.37Å; F195-M232 WeakPolarHBondContact CE2-SD 3.48Å; F195-M232 HydrophobicContact CG-CE 4.02Å; F195-M232 HydrophobicContact CG-SD 4.24Å; F195-M232 HydrophobicContact CZ-CE 3.54Å; F195-M232 HydrophobicContact CZ-SD 4.07Å; F195-M232 WeakPolarHBondContact O-CE 3.44Å; N198-M232 HydrophobicContact CB-CB 4.12Å; N198-M232 HydrophobicContact CB-CE 3.88Å; N198-M232 HydrophobicContact CB-SD 4.31Å; H199-M232 HydrophobicContact CB-CE 3.84Å; I202-M232 HydrophobicContact CD1-CB 3.77Å; I202-M232 HydrophobicContact CD1-CE 4.43Å; I202-M232 HydrophobicContact CD1-CG 4.06Å; A228-M232 VanDerWaalsContact O-CB 3.29Å; A228-M232 WeakPolarHBondContact O-CB 3.34Å; A228-M232 PolarHBondContact O-N 3.13Å; L229-M232 PolarHBondContact O-N 3.47Å; M232-S234 VanDerWaalsContact C-N 3.32Å; M232-S234 PolarHBondContact O-N 2.98Å; M232-M235 WeakPolarHBondContact O-CB 3.15Å; M232-M235 PolarHBondContact O-N 3.01Å; M232-M235 HydrophobicContact SD-SD 4.37Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.43Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 2.96Å; M232-L236 PolarHBondContact O-N 3.31Å; M232-M271 HydrophobicContact CB-CE 3.88Å; M232-M271 HydrophobicContact CG-CE 3.49Å; M232-M271 VanDerWaalsContact CG-CE 3.49Å; M232-M271 HydrophobicContact CG-SD 3.62Å |
| 233 | E | 96 | Very high | 94.2 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.1 | -74 | -169.2 | 163.1 | 0 | 0 | 111.8 | Y110 L229 S230 L236 L237 R264 M267 M271 | Y110-E233 WeakPolarHBondContact CE1-OE1 3.36Å; Y110-E233 PolarHBondContact OH-OE1 3.47Å; L229-E233 HydrophobicContact CD1-CG 4.39Å; L229-E233 WeakPolarHBondContact O-CG 3.46Å; L229-E233 PolarHBondContact O-N 3.46Å; S230-E233 PolarHBondContact O-N 3.43Å; E233-L236 PolarHBondContact O-N 2.73Å; E233-L237 WeakPolarHBondContact O-CB 3.44Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 3.17Å; E233-R264 IonicContact OE1-CZ 3.23Å; E233-R264 IonicContact OE1-NH1 3.72Å; E233-R264 PolarHBondContact OE1-NH1 2.9Å; E233-R264 IonicContact OE1-NH2 3.44Å; E233-R264 PolarHBondContact OE1-NH2 3.3Å; E233-R264 IonicContact OE2-CZ 2.71Å; E233-R264 IonicContact OE2-NH1 3.68Å; E233-R264 PolarHBondContact OE2-NH1 2.89Å; E233-R264 IonicContact OE2-NH2 3.61Å; E233-M267 HydrophobicContact CB-CE 4.18Å; E233-M267 HydrophobicContact CB-SD 4.31Å; E233-M267 HydrophobicContact CG-CE 3.88Å; E233-M267 HydrophobicContact CG-SD 4.09Å; E233-M271 HydrophobicContact CG-CE 3.88Å |
| 234 | S | 97.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 49 Ų | 49 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | S230 M232 L237 S238 | S230-S234 VanDerWaalsContact O-CB 3.32Å; S230-S234 WeakPolarHBondContact O-CB 3.36Å; S230-S234 PolarHBondContact O-N 3.46Å; M232-S234 VanDerWaalsContact C-N 3.32Å; M232-S234 PolarHBondContact O-N 2.98Å; S234-L237 PolarHBondContact O-N 3.28Å; S234-S238 PolarHBondContact O-N 2.61Å |
| 235 | M | 96.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 174.6 | 179.9 | -165 | -68.7 | 0 | 0 | 111.2 | F186 F195 E231 M232 L237 S238 V239 | F186-M235 HydrophobicContact CE1-SD 4.07Å; F186-M235 HydrophobicContact CZ-SD 3.91Å; F195-M235 HydrophobicContact CB-CE 4.32Å; F195-M235 HydrophobicContact CB-SD 4.19Å; F195-M235 HydrophobicContact CD2-SD 3.8Å; F195-M235 HydrophobicContact CG-SD 4.49Å; E231-M235 WeakPolarHBondContact O-CB 3.42Å; E231-M235 PolarHBondContact O-N 3.45Å; M232-M235 WeakPolarHBondContact O-CB 3.15Å; M232-M235 PolarHBondContact O-N 3.01Å; M232-M235 HydrophobicContact SD-SD 4.37Å; M235-L237 PolarHBondContact O-N 3.31Å; M235-S238 VanDerWaalsContact O-CB 3.31Å; M235-S238 WeakPolarHBondContact O-CB 3.43Å; M235-S238 PolarHBondContact O-N 3.36Å; M235-V239 WeakPolarHBondContact O-CG2 3.1Å; M235-V239 PolarHBondContact O-N 3.33Å |
| 236 | L | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | -178.5 | -66.5 | 174.7 | 0 | 0 | 0 | 111.9 | L182 F195 M232 E233 S238 V239 V240 M267 C270 M271 | L182-L236 HydrophobicContact CD1-CD2 3.59Å; L182-L236 HydrophobicContact CD2-CD2 3.75Å; L182-L236 HydrophobicContact CG-CD2 4.34Å; F195-L236 HydrophobicContact CE2-CD2 4.44Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.43Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 2.96Å; M232-L236 PolarHBondContact O-N 3.31Å; E233-L236 PolarHBondContact O-N 2.73Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 2.88Å; L236-V239 WeakPolarHBondContact O-CB 3.49Å; L236-V239 PolarHBondContact O-N 3.25Å; L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.28Å; L236-V240 PolarHBondContact O-N 2.53Å; L236-M267 HydrophobicContact CB-CG 3.52Å; L236-M267 HydrophobicContact CB-SD 4.19Å; L236-M267 HydrophobicContact CD1-CG 4.39Å; L236-M267 HydrophobicContact CD1-SD 4.09Å; L236-C270 HydrophobicContact CD2-CB 4.42Å; L236-M271 HydrophobicContact CD1-CB 3.77Å; L236-M271 HydrophobicContact CD1-CE 3.86Å; L236-M271 HydrophobicContact CD1-CG 4.45Å; L236-M271 HydrophobicContact CD1-SD 3.9Å |
| 237 | L | 96.8 | Very high | 94.4 | Very high | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 173 | -77.8 | 173.7 | 0 | 0 | 0 | 112.1 | E233 S234 M235 V239 V240 K241 M267 | E233-L237 WeakPolarHBondContact O-CB 3.44Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 3.17Å; S234-L237 PolarHBondContact O-N 3.28Å; M235-L237 PolarHBondContact O-N 3.31Å; L237-V239 VanDerWaalsContact C-N 3.35Å; L237-V240 PolarHBondContact O-N 3.24Å; L237-K241 WeakPolarHBondContact O-CG 3.41Å; L237-K241 PolarHBondContact O-N 3.29Å; L237-M267 HydrophobicContact CD2-CB 3.8Å; L237-M267 HydrophobicContact CD2-CG 4.03Å; L237-M267 HydrophobicContact CG-CB 4.29Å; L237-M267 HydrophobicContact CG-CG 3.95Å |
| 238 | S | 96.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 173.2 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | R185 S234 M235 L236 V240 K241 E242 | R185-S238 PolarHBondContact NH1-OG 2.9Å; S234-S238 PolarHBondContact O-N 2.61Å; M235-S238 VanDerWaalsContact O-CB 3.31Å; M235-S238 WeakPolarHBondContact O-CB 3.43Å; M235-S238 PolarHBondContact O-N 3.36Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-S238 PolarHBondContact O-N 2.88Å; S238-V240 PolarHBondContact O-N 3.44Å; S238-K241 PolarHBondContact O-N 3.18Å; S238-E242 WeakPolarHBondContact O-CB 3.43Å; S238-E242 VanDerWaalsContact O-CG 3.25Å; S238-E242 WeakPolarHBondContact O-CG 3.49Å; S238-E242 PolarHBondContact O-N 3.02Å; S238-E242 PolarHBondContact OG-OE1 2.68Å |
| 239 | V | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L182 F186 M235 L236 L237 K241 E242 R243 | L182-V239 HydrophobicContact CB-CG1 3.95Å; L182-V239 HydrophobicContact CD2-CG1 4.37Å; L182-V239 WeakPolarHBondContact O-CG1 3.37Å; F186-V239 HydrophobicContact CE2-CG2 3.94Å; F186-V239 HydrophobicContact CZ-CG2 4.36Å; M235-V239 WeakPolarHBondContact O-CG2 3.1Å; M235-V239 PolarHBondContact O-N 3.33Å; L236-V239 WeakPolarHBondContact O-CB 3.49Å; L236-V239 PolarHBondContact O-N 3.25Å; L237-V239 VanDerWaalsContact C-N 3.35Å; V239-K241 VanDerWaalsContact C-N 3.29Å; V239-K241 PolarHBondContact O-N 2.71Å; V239-E242 PolarHBondContact O-N 2.73Å; V239-R243 HydrophobicContact CG1-CG 3.97Å; V239-R243 WeakPolarHBondContact O-CB 3.26Å; V239-R243 WeakPolarHBondContact O-CG 3.05Å; V239-R243 PolarHBondContact O-N 2.7Å |
| 240 | V | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.6 | -45.4 | 180 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L236 L237 S238 K244 V253 L257 E263 V266 M267 | L236-V240 VanDerWaalsContact O-CG2 3.3Å; L236-V240 WeakPolarHBondContact O-CG2 3.28Å; L236-V240 PolarHBondContact O-N 2.53Å; L237-V240 PolarHBondContact O-N 3.24Å; S238-V240 PolarHBondContact O-N 3.44Å; V240-K244 VanDerWaalsContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CB 3.32Å; V240-K244 PolarHBondContact O-N 2.9Å; V240-V253 HydrophobicContact CG2-CG2 3.92Å; V240-L257 HydrophobicContact CG1-CD2 4.02Å; V240-E263 HydrophobicContact CG1-CB 4.02Å; V240-E263 HydrophobicContact CG1-CG 4.13Å; V240-V266 HydrophobicContact CG1-CB 4.43Å; V240-V266 HydrophobicContact CG1-CG1 4.25Å; V240-V266 HydrophobicContact CG2-CB 4.46Å; V240-V266 HydrophobicContact CG2-CG1 3.87Å; V240-M267 HydrophobicContact CG2-CB 4.3Å |
| 241 | K | 95.1 | Very high | 92.9 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 178.4 | -70.9 | 174.6 | -178.4 | 178.1 | 0 | 112.4 | L237 S238 V239 K244 A245 | L237-K241 WeakPolarHBondContact O-CG 3.41Å; L237-K241 PolarHBondContact O-N 3.29Å; S238-K241 PolarHBondContact O-N 3.18Å; V239-K241 VanDerWaalsContact C-N 3.29Å; V239-K241 PolarHBondContact O-N 2.71Å; K241-K244 PolarHBondContact O-N 3.04Å; K241-A245 PolarHBondContact O-N 2.72Å |
| 242 | E | 94.2 | Very high | 92.8 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 177.1 | -72.5 | 164.2 | -141.1 | 0 | 0 | 111.2 | R185 S238 V239 A245 Q246 | R185-E242 IonicContact NH1-OE1 3.84Å; R185-E242 PolarHBondContact NH1-OE1 3.41Å; R185-E242 IonicContact NH1-OE2 3.46Å; S238-E242 WeakPolarHBondContact O-CB 3.43Å; S238-E242 VanDerWaalsContact O-CG 3.25Å; S238-E242 WeakPolarHBondContact O-CG 3.49Å; S238-E242 PolarHBondContact O-N 3.02Å; S238-E242 PolarHBondContact OG-OE1 2.68Å; V239-E242 PolarHBondContact O-N 2.73Å; E242-A245 PolarHBondContact O-N 3.19Å; E242-Q246 VanDerWaalsContact O-CG 3.28Å; E242-Q246 WeakPolarHBondContact O-CG 3.31Å; E242-Q246 PolarHBondContact O-N 3.42Å |
| 243 | R | 93.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | -179.6 | -65.4 | -57.2 | -63 | -170.2 | -13.4 | 112.1 | V239 A245 Q246 R247 T250 V253 D254 L257 | V239-R243 HydrophobicContact CG1-CG 3.97Å; V239-R243 WeakPolarHBondContact O-CB 3.26Å; V239-R243 WeakPolarHBondContact O-CG 3.05Å; V239-R243 PolarHBondContact O-N 2.7Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3Å; R243-Q246 PolarHBondContact O-N 3.21Å; R243-R247 PolarHBondContact O-N 2.74Å; R243-T250 PolarHBondContact NH2-OG1 3.28Å; R243-V253 HydrophobicContact CB-CG1 4.28Å; R243-V253 HydrophobicContact CG-CG1 3.79Å; R243-D254 IonicContact CZ-OD1 2.61Å; R243-D254 IonicContact CZ-OD2 3.94Å; R243-D254 IonicContact NE-OD1 2.93Å; R243-D254 PolarHBondContact NE-OD1 3.41Å; R243-D254 IonicContact NE-OD2 2.88Å; R243-D254 VanDerWaalsContact NH2-CG 3.33Å; R243-D254 IonicContact NH2-OD1 2.64Å; R243-D254 PolarHBondContact NH2-OD1 3.2Å; R243-D254 IonicContact NH2-OD2 2.68Å; R243-D254 PolarHBondContact NH2-OD2 2.89Å; R243-L257 HydrophobicContact CB-CD1 3.89Å |
| 244 | K | 92.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 48% | 0.478 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 174 | -174 | 175.4 | 176.3 | 177.1 | 0 | 112.2 | V240 K241 L257 E263 | V240-K244 VanDerWaalsContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CB 3.32Å; V240-K244 PolarHBondContact O-N 2.9Å; K241-K244 PolarHBondContact O-N 3.04Å; K244-L257 HydrophobicContact CB-CD1 4.04Å; K244-L257 HydrophobicContact CB-CD2 4.08Å; K244-L257 HydrophobicContact CD-CD2 4.26Å; K244-L257 HydrophobicContact CG-CD2 4.33Å; K244-E263 WeakPolarHBondContact CD-OE1 3.42Å; K244-E263 IonicContact NZ-OE1 2.68Å; K244-E263 PolarHBondContact NZ-OE1 2.98Å |
| 245 | A | 91.7 | Very high | 92.3 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.1 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K241 E242 R243 R247 | K241-A245 PolarHBondContact O-N 2.72Å; E242-A245 PolarHBondContact O-N 3.19Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3Å; A245-R247 VanDerWaalsContact C-N 3.31Å; A245-R247 PolarHBondContact O-N 2.89Å |
| 246 | Q | 90.3 | Very high | 92 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.5 | -23.8 | 179.8 | -71.8 | 173 | 16.5 | 0 | 0 | 113.7 | E242 R243 K248 | E242-Q246 VanDerWaalsContact O-CG 3.28Å; E242-Q246 WeakPolarHBondContact O-CG 3.31Å; E242-Q246 PolarHBondContact O-N 3.42Å; R243-Q246 PolarHBondContact O-N 3.21Å; Q246-K248 HydrophobicContact CB-CD 4.41Å; Q246-K248 HydrophobicContact CB-CG 4.18Å; Q246-K248 PolarHBondContact O-N 3.5Å; Q246-K248 VanDerWaalsContact O-N 3.12Å |
| 247 | R | 83.7 | Confident | 91.8 | Very high | 216 Ų | 216 | 53.4 Ų | 53.4 | 82% | 0.815 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 29.6 | -176.1 | -57.7 | -175.9 | 178.1 | -174.2 | -0.4 | 113.8 | R243 A245 | R243-R247 PolarHBondContact O-N 2.74Å; A245-R247 VanDerWaalsContact C-N 3.31Å; A245-R247 PolarHBondContact O-N 2.89Å |
| 248 | K | 81.3 | Confident | 91.2 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | trans | -73 | 160.7 | 171 | -73.8 | 179.7 | 176.5 | 173.7 | 0 | 109.8 | E184 Q246 D254 | E184-K248 IonicContact OE2-NZ 2.82Å; E184-K248 PolarHBondContact OE2-NZ 3.45Å; Q246-K248 HydrophobicContact CB-CD 4.41Å; Q246-K248 HydrophobicContact CB-CG 4.18Å; Q246-K248 PolarHBondContact O-N 3.5Å; Q246-K248 VanDerWaalsContact O-N 3.12Å; K248-D254 VanDerWaalsContact O-CB 3.28Å; K248-D254 WeakPolarHBondContact O-CB 3.37Å; K248-D254 VanDerWaalsContact O-CG 3.22Å | ||
| 249 | Q | 82.1 | Confident | 90.5 | Very high | 129 Ų | 129 | 56.3 Ų | 56.3 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | trans | -136 | 31.3 | -176.6 | -54.6 | -167.9 | 10.3 | 0 | 0 | 112.3 | N138 D254 | N138-Q249 PolarHBondContact ND2-O 2.78Å; Q249-D254 PolarHBondContact N-OD2 3.4Å | ||
| 250 | T | 87.4 | Confident | 90 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -102 | -38 | -171.9 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | N139 R243 D254 | N139-T250 PolarHBondContact ND2-O 2.82Å; R243-T250 PolarHBondContact NH2-OG1 3.28Å; T250-D254 PolarHBondContact N-OD2 3.35Å |
| 251 | A | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -92.8 | 164 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 V253 D254 A255 | L180-A251 WeakPolarHBondContact O-CA 3.39Å; A251-V253 VanDerWaalsContact C-N 3.32Å; A251-V253 HydrophobicContact CB-CG1 4.02Å; A251-V253 PolarHBondContact O-N 3.35Å; A251-D254 PolarHBondContact N-OD2 3.06Å; A251-D254 WeakPolarHBondContact O-CB 3.49Å; A251-D254 PolarHBondContact O-N 2.88Å; A251-A255 PolarHBondContact O-N 3.43Å |
| 252 | F | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.7 | -46.2 | 176.9 | 168.6 | -99.1 | 0 | 0 | 0 | 112.1 | Y128 A131 I132 L180 G181 D254 A255 L256 D269 F273 | Y128-F252 HydrophobicContact CD1-CE2 4.49Å; Y128-F252 HydrophobicContact CD2-CE2 4.08Å; Y128-F252 AromaticContact CD2-CZ 3.7Å; Y128-F252 HydrophobicContact CD2-CZ 3.7Å; Y128-F252 HydrophobicContact CE1-CE2 4.44Å; Y128-F252 HydrophobicContact CE2-CE1 4.43Å; Y128-F252 HydrophobicContact CE2-CE2 4.04Å; Y128-F252 AromaticContact CE2-CZ 3.42Å; Y128-F252 HydrophobicContact CE2-CZ 3.42Å; Y128-F252 VanDerWaalsContact CE2-CZ 3.42Å; Y128-F252 HydrophobicContact CG-CE2 4.3Å; Y128-F252 HydrophobicContact CG-CZ 4.37Å; Y128-F252 AromaticContact CZ-CZ 3.86Å; A131-F252 HydrophobicContact CB-CD2 3.45Å; A131-F252 VanDerWaalsContact CB-CD2 3.45Å; A131-F252 HydrophobicContact CB-CE2 3.59Å; A131-F252 HydrophobicContact CB-CG 4.39Å; I132-F252 HydrophobicContact CD1-CE2 4.42Å; I132-F252 HydrophobicContact CG1-CD2 3.72Å; I132-F252 HydrophobicContact CG1-CE2 3.77Å; L180-F252 PolarHBondContact O-N 3.22Å; G181-F252 PolarHBondContact O-N 3.17Å; F252-D254 PolarHBondContact O-N 3.37Å; F252-A255 PolarHBondContact O-N 2.79Å; F252-A255 VanDerWaalsContact O-N 3.15Å; F252-L256 HydrophobicContact CD1-CD1 4.09Å; F252-L256 HydrophobicContact CE1-CD1 3.37Å; F252-L256 HydrophobicContact CE1-CG 4.12Å; F252-L256 HydrophobicContact CE2-CD1 4.42Å; F252-L256 HydrophobicContact CE2-CD2 4.48Å; F252-L256 HydrophobicContact CE2-CG 4.45Å; F252-L256 HydrophobicContact CZ-CD1 3.56Å; F252-L256 HydrophobicContact CZ-CD2 4.23Å; F252-L256 HydrophobicContact CZ-CG 4.04Å; F252-L256 PolarHBondContact O-N 3.22Å; F252-D269 HydrophobicContact CE1-CB 4.5Å; F252-D269 HydrophobicContact CZ-CB 4.48Å; F252-F273 HydrophobicContact CB-CE1 4.42Å; F252-F273 HydrophobicContact CD1-CB 4.34Å; F252-F273 AromaticContact CD1-CD1 3.89Å; F252-F273 HydrophobicContact CD1-CD1 3.89Å; F252-F273 HydrophobicContact CD1-CG 4.19Å; F252-F273 HydrophobicContact CE1-CB 3.82Å; F252-F273 HydrophobicContact CE1-CD1 4.23Å; F252-F273 HydrophobicContact CE1-CG 4.08Å; F252-F273 HydrophobicContact CG-CD1 4.13Å; F252-F273 HydrophobicContact CG-CE1 4.39Å; F252-F273 HydrophobicContact CG-CG 4.47Å; F252-F273 HydrophobicContact CZ-CB 4.09Å; F252-F273 HydrophobicContact CZ-CG 4.29Å |
| 253 | V | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -34.1 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | G181 V240 R243 A251 L256 L257 V266 | G181-V253 WeakPolarHBondContact O-CB 3.3Å; G181-V253 WeakPolarHBondContact O-CG1 3.35Å; G181-V253 PolarHBondContact O-N 2.81Å; V240-V253 HydrophobicContact CG2-CG2 3.92Å; R243-V253 HydrophobicContact CB-CG1 4.28Å; R243-V253 HydrophobicContact CG-CG1 3.79Å; A251-V253 VanDerWaalsContact C-N 3.32Å; A251-V253 HydrophobicContact CB-CG1 4.02Å; A251-V253 PolarHBondContact O-N 3.35Å; V253-L256 PolarHBondContact O-N 3.06Å; V253-L257 HydrophobicContact CG2-CD1 4.24Å; V253-L257 WeakPolarHBondContact O-CG 3.43Å; V253-L257 PolarHBondContact O-N 3.4Å; V253-V266 HydrophobicContact CG2-CG1 3.86Å |
| 254 | D | 93.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.2 | -38.9 | -179.4 | -55.8 | -30.3 | 0 | 0 | 0 | 111.8 | R243 K248 Q249 T250 A251 F252 L256 L257 Q258 | R243-D254 IonicContact CZ-OD1 2.61Å; R243-D254 IonicContact CZ-OD2 3.94Å; R243-D254 IonicContact NE-OD1 2.93Å; R243-D254 PolarHBondContact NE-OD1 3.41Å; R243-D254 IonicContact NE-OD2 2.88Å; R243-D254 VanDerWaalsContact NH2-CG 3.33Å; R243-D254 IonicContact NH2-OD1 2.64Å; R243-D254 PolarHBondContact NH2-OD1 3.2Å; R243-D254 IonicContact NH2-OD2 2.68Å; R243-D254 PolarHBondContact NH2-OD2 2.89Å; K248-D254 VanDerWaalsContact O-CB 3.28Å; K248-D254 WeakPolarHBondContact O-CB 3.37Å; K248-D254 VanDerWaalsContact O-CG 3.22Å; Q249-D254 PolarHBondContact N-OD2 3.4Å; T250-D254 PolarHBondContact N-OD2 3.35Å; A251-D254 PolarHBondContact N-OD2 3.06Å; A251-D254 WeakPolarHBondContact O-CB 3.49Å; A251-D254 PolarHBondContact O-N 2.88Å; F252-D254 PolarHBondContact O-N 3.37Å; D254-L256 VanDerWaalsContact C-N 3.3Å; D254-L257 PolarHBondContact O-N 3.05Å; D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.48Å |
| 255 | A | 90.8 | Very high | 89 | Confident | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A131 A251 F252 Q258 | A131-A255 HydrophobicContact CB-CB 3.53Å; A251-A255 PolarHBondContact O-N 3.43Å; F252-A255 PolarHBondContact O-N 2.79Å; F252-A255 VanDerWaalsContact O-N 3.15Å; A255-Q258 PolarHBondContact O-N 3.26Å |
| 256 | L | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 172.6 | -63.3 | -175.1 | 0 | 0 | 0 | 112 | L127 A131 F252 V253 D254 Q258 S259 L261 V266 D269 | L127-L256 HydrophobicContact CD2-CD2 4.31Å; L127-L256 HydrophobicContact CG-CD2 4.17Å; A131-L256 HydrophobicContact CB-CD2 4.15Å; A131-L256 HydrophobicContact CB-CG 4.46Å; F252-L256 HydrophobicContact CD1-CD1 4.09Å; F252-L256 HydrophobicContact CE1-CD1 3.37Å; F252-L256 HydrophobicContact CE1-CG 4.12Å; F252-L256 HydrophobicContact CE2-CD1 4.42Å; F252-L256 HydrophobicContact CE2-CD2 4.48Å; F252-L256 HydrophobicContact CE2-CG 4.45Å; F252-L256 HydrophobicContact CZ-CD1 3.56Å; F252-L256 HydrophobicContact CZ-CD2 4.23Å; F252-L256 HydrophobicContact CZ-CG 4.04Å; F252-L256 PolarHBondContact O-N 3.22Å; V253-L256 PolarHBondContact O-N 3.06Å; D254-L256 VanDerWaalsContact C-N 3.3Å; L256-Q258 PolarHBondContact O-N 3.34Å; L256-S259 PolarHBondContact O-N 3.01Å; L256-S259 VanDerWaalsContact O-N 3.1Å; L256-S259 PolarHBondContact O-OG 3.21Å; L256-L261 HydrophobicContact CB-CD1 4.32Å; L256-L261 HydrophobicContact CD2-CD1 4.41Å; L256-V266 HydrophobicContact CB-CG1 3.89Å; L256-V266 HydrophobicContact CB-CG2 4.1Å; L256-V266 HydrophobicContact CD1-CG1 4.2Å; L256-D269 HydrophobicContact CD1-CB 3.56Å |
| 257 | L | 91.6 | Very high | 89.3 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -18.1 | 178 | -79.2 | 169.2 | 0 | 0 | 0 | 114.3 | V240 R243 K244 V253 D254 S259 V266 | V240-L257 HydrophobicContact CG1-CD2 4.02Å; R243-L257 HydrophobicContact CB-CD1 3.89Å; K244-L257 HydrophobicContact CB-CD1 4.04Å; K244-L257 HydrophobicContact CB-CD2 4.08Å; K244-L257 HydrophobicContact CD-CD2 4.26Å; K244-L257 HydrophobicContact CG-CD2 4.33Å; V253-L257 HydrophobicContact CG2-CD1 4.24Å; V253-L257 WeakPolarHBondContact O-CG 3.43Å; V253-L257 PolarHBondContact O-N 3.4Å; D254-L257 PolarHBondContact O-N 3.05Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-V266 HydrophobicContact CD2-CG1 4.49Å; L257-V266 HydrophobicContact CD2-CG2 4.44Å; L257-V266 HydrophobicContact CG-CG1 4.32Å |
| 258 | Q | 84.1 | Confident | 89.6 | Confident | 119 Ų | 119 | 45.1 Ų | 45.1 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.5 | 176.2 | -68.8 | 177.4 | 18 | 0 | 0 | 113.7 | D254 A255 L256 | D254-Q258 WeakPolarHBondContact O-CG 3.37Å; D254-Q258 PolarHBondContact O-N 3.48Å; A255-Q258 PolarHBondContact O-N 3.26Å; L256-Q258 PolarHBondContact O-N 3.34Å |
| 259 | S | 83.6 | Confident | 90.1 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -95.8 | 175.3 | -179.8 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | L127 L256 L257 L261 | L127-S259 WeakPolarHBondContact CD2-OG 3.32Å; L256-S259 PolarHBondContact O-N 3.01Å; L256-S259 VanDerWaalsContact O-N 3.1Å; L256-S259 PolarHBondContact O-OG 3.21Å; L257-S259 VanDerWaalsContact C-N 3.29Å; S259-L261 PolarHBondContact O-N 3.15Å; S259-L261 WeakPolarHBondContact OG-CD1 3.34Å; S259-L261 WeakPolarHBondContact OG-CG 3.05Å |
| 260 | S | 84.1 | Confident | 90.7 | Very high | 129 Ų | 129 | 35 Ų | 35 | 90% | 0.902 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -77.3 | 25.7 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 114 | ||
| 261 | L | 86.8 | Confident | 91 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | trans | -83.1 | 147.8 | -178.7 | -62.7 | 167.3 | 0 | 0 | 0 | 111.8 | L127 L256 S259 Q265 V266 | L127-L261 HydrophobicContact CD2-CD1 3.92Å; L256-L261 HydrophobicContact CB-CD1 4.32Å; L256-L261 HydrophobicContact CD2-CD1 4.41Å; S259-L261 PolarHBondContact O-N 3.15Å; S259-L261 WeakPolarHBondContact OG-CD1 3.34Å; S259-L261 WeakPolarHBondContact OG-CG 3.05Å; L261-Q265 HydrophobicContact CB-CB 4.28Å; L261-Q265 HydrophobicContact CD2-CB 4.24Å; L261-V266 HydrophobicContact CB-CG2 3.78Å; L261-V266 HydrophobicContact CD1-CG2 4.08Å | ||
| 262 | T | 91.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 47% | 0.466 | 18% | 0.175 | S | C | . | . | trans | -71.5 | 155.4 | 168.2 | 64.1 | 0 | 0 | 0 | 0 | 111 | R264 Q265 V266 | T262-R264 PolarHBondContact O-N 3.4Å; T262-Q265 PolarHBondContact O-N 3.16Å; T262-Q265 VanDerWaalsContact O-N 3.07Å; T262-Q265 VanDerWaalsContact OG1-CG 3.29Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.47Å; T262-Q265 PolarHBondContact OG1-N 2.99Å; T262-Q265 PolarHBondContact OG1-OE1 3.12Å; T262-V266 WeakPolarHBondContact O-CG2 3.17Å; T262-V266 PolarHBondContact O-N 3.47Å | ||
| 263 | E | 92.8 | Very high | 90.7 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.5 | -34.1 | 175.7 | -67.7 | 178.3 | -174.5 | 0 | 0 | 112.3 | V240 K244 M267 | V240-E263 HydrophobicContact CG1-CB 4.02Å; V240-E263 HydrophobicContact CG1-CG 4.13Å; K244-E263 WeakPolarHBondContact CD-OE1 3.42Å; K244-E263 IonicContact NZ-OE1 2.68Å; K244-E263 PolarHBondContact NZ-OE1 2.98Å; E263-M267 WeakPolarHBondContact O-CB 3.48Å; E263-M267 PolarHBondContact O-N 2.81Å |
| 264 | R | 90.9 | Very high | 90.7 | Very high | 86 Ų | 86 | 32.4 Ų | 32.4 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.7 | -179.8 | 65.6 | -169.4 | -175 | 6.8 | 111.3 | E233 T262 V266 M267 E268 | E233-R264 IonicContact OE1-CZ 3.23Å; E233-R264 IonicContact OE1-NH1 3.72Å; E233-R264 PolarHBondContact OE1-NH1 2.9Å; E233-R264 IonicContact OE1-NH2 3.44Å; E233-R264 PolarHBondContact OE1-NH2 3.3Å; E233-R264 IonicContact OE2-CZ 2.71Å; E233-R264 IonicContact OE2-NH1 3.68Å; E233-R264 PolarHBondContact OE2-NH1 2.89Å; E233-R264 IonicContact OE2-NH2 3.61Å; T262-R264 PolarHBondContact O-N 3.4Å; R264-V266 VanDerWaalsContact C-N 3.32Å; R264-V266 PolarHBondContact O-N 3.37Å; R264-M267 WeakPolarHBondContact O-CB 3.42Å; R264-M267 PolarHBondContact O-N 2.52Å; R264-M267 VanDerWaalsContact O-N 3.15Å; R264-E268 HydrophobicContact CG-CG 4.48Å; R264-E268 WeakPolarHBondContact CG-OE1 3.38Å; R264-E268 IonicContact CZ-OE1 3.57Å; R264-E268 IonicContact NE-OE1 3.06Å; R264-E268 PolarHBondContact NE-OE1 2.68Å; R264-E268 IonicContact NH2-OE1 2.72Å; R264-E268 VanDerWaalsContact O-CG 3.28Å; R264-E268 WeakPolarHBondContact O-CG 3.44Å; R264-E268 PolarHBondContact O-N 3.46Å |
| 265 | Q | 89.7 | Confident | 90.7 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 178.2 | -74.1 | 167.3 | -46.8 | 0 | 0 | 112.6 | L261 T262 M267 E268 D269 | L261-Q265 HydrophobicContact CB-CB 4.28Å; L261-Q265 HydrophobicContact CD2-CB 4.24Å; T262-Q265 PolarHBondContact O-N 3.16Å; T262-Q265 VanDerWaalsContact O-N 3.07Å; T262-Q265 VanDerWaalsContact OG1-CG 3.29Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.47Å; T262-Q265 PolarHBondContact OG1-N 2.99Å; T262-Q265 PolarHBondContact OG1-OE1 3.12Å; Q265-M267 VanDerWaalsContact C-N 3.34Å; Q265-E268 PolarHBondContact O-N 2.95Å; Q265-D269 VanDerWaalsContact O-CG 3.28Å; Q265-D269 PolarHBondContact O-N 3.07Å; Q265-D269 VanDerWaalsContact O-N 3.07Å |
| 266 | V | 93 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | V240 V253 L256 L257 L261 T262 R264 D269 C270 | V240-V266 HydrophobicContact CG1-CB 4.43Å; V240-V266 HydrophobicContact CG1-CG1 4.25Å; V240-V266 HydrophobicContact CG2-CB 4.46Å; V240-V266 HydrophobicContact CG2-CG1 3.87Å; V253-V266 HydrophobicContact CG2-CG1 3.86Å; L256-V266 HydrophobicContact CB-CG1 3.89Å; L256-V266 HydrophobicContact CB-CG2 4.1Å; L256-V266 HydrophobicContact CD1-CG1 4.2Å; L257-V266 HydrophobicContact CD2-CG1 4.49Å; L257-V266 HydrophobicContact CD2-CG2 4.44Å; L257-V266 HydrophobicContact CG-CG1 4.32Å; L261-V266 HydrophobicContact CB-CG2 3.78Å; L261-V266 HydrophobicContact CD1-CG2 4.08Å; T262-V266 WeakPolarHBondContact O-CG2 3.17Å; T262-V266 PolarHBondContact O-N 3.47Å; R264-V266 VanDerWaalsContact C-N 3.32Å; R264-V266 PolarHBondContact O-N 3.37Å; V266-D269 PolarHBondContact O-N 3.13Å; V266-C270 PolarHBondContact O-N 3.06Å; V266-C270 PolarHBondContact O-SG 3.25Å |
| 267 | M | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 176 | -177.4 | -78.5 | -63.1 | 0 | 0 | 111.8 | E233 L236 L237 V240 E263 R264 Q265 D269 C270 M271 | E233-M267 HydrophobicContact CB-CE 4.18Å; E233-M267 HydrophobicContact CB-SD 4.31Å; E233-M267 HydrophobicContact CG-CE 3.88Å; E233-M267 HydrophobicContact CG-SD 4.09Å; L236-M267 HydrophobicContact CB-CG 3.52Å; L236-M267 HydrophobicContact CB-SD 4.19Å; L236-M267 HydrophobicContact CD1-CG 4.39Å; L236-M267 HydrophobicContact CD1-SD 4.09Å; L237-M267 HydrophobicContact CD2-CB 3.8Å; L237-M267 HydrophobicContact CD2-CG 4.03Å; L237-M267 HydrophobicContact CG-CB 4.29Å; L237-M267 HydrophobicContact CG-CG 3.95Å; V240-M267 HydrophobicContact CG2-CB 4.3Å; E263-M267 WeakPolarHBondContact O-CB 3.48Å; E263-M267 PolarHBondContact O-N 2.81Å; R264-M267 WeakPolarHBondContact O-CB 3.42Å; R264-M267 PolarHBondContact O-N 2.52Å; R264-M267 VanDerWaalsContact O-N 3.15Å; Q265-M267 VanDerWaalsContact C-N 3.34Å; M267-D269 VanDerWaalsContact C-N 3.31Å; M267-D269 PolarHBondContact O-N 3.2Å; M267-C270 CarbonylContact O-C 3.59Å; M267-C270 WeakPolarHBondContact O-CA 3.35Å; M267-C270 WeakPolarHBondContact O-CB 3.44Å; M267-C270 PolarHBondContact O-N 3.34Å; M267-C270 VanDerWaalsContact O-N 3.08Å; M267-M271 PolarHBondContact O-N 3.15Å; M267-M271 HydrophobicContact SD-CB 4.43Å |
| 268 | E | 90.8 | Very high | 91 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 179.9 | -69.8 | 169.3 | 177.3 | 0 | 0 | 111.9 | Y110 R264 Q265 M271 V272 | Y110-E268 HydrophobicContact CD1-CG 4.3Å; Y110-E268 HydrophobicContact CD2-CB 3.7Å; Y110-E268 HydrophobicContact CD2-CG 3.54Å; Y110-E268 HydrophobicContact CE1-CG 4.45Å; Y110-E268 HydrophobicContact CE2-CB 3.79Å; Y110-E268 HydrophobicContact CE2-CG 3.67Å; Y110-E268 HydrophobicContact CG-CB 4.46Å; Y110-E268 HydrophobicContact CG-CG 3.87Å; R264-E268 HydrophobicContact CG-CG 4.48Å; R264-E268 WeakPolarHBondContact CG-OE1 3.38Å; R264-E268 IonicContact CZ-OE1 3.57Å; R264-E268 IonicContact NE-OE1 3.06Å; R264-E268 PolarHBondContact NE-OE1 2.68Å; R264-E268 IonicContact NH2-OE1 2.72Å; R264-E268 VanDerWaalsContact O-CG 3.28Å; R264-E268 WeakPolarHBondContact O-CG 3.44Å; R264-E268 PolarHBondContact O-N 3.46Å; Q265-E268 PolarHBondContact O-N 2.95Å; E268-M271 WeakPolarHBondContact O-CB 3.34Å; E268-M271 PolarHBondContact O-N 3.46Å; E268-V272 WeakPolarHBondContact O-CG2 3.5Å; E268-V272 PolarHBondContact O-N 2.98Å |
| 269 | D | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.2 | -37.7 | 174.1 | -62.4 | -22 | 0 | 0 | 0 | 112.5 | K105 R124 Y128 F252 L256 Q265 V266 M267 M271 V272 F273 | K105-D269 IonicContact NZ-OD1 3.77Å; K105-D269 PolarHBondContact NZ-OD1 3.41Å; R124-D269 IonicContact CZ-OD1 2.75Å; R124-D269 IonicContact CZ-OD2 3.27Å; R124-D269 IonicContact NH1-OD1 3.72Å; R124-D269 IonicContact NH1-OD2 2.86Å; R124-D269 PolarHBondContact NH1-OD2 3.42Å; R124-D269 IonicContact NH2-OD1 3.7Å; R124-D269 PolarHBondContact NH2-OD1 3.25Å; R124-D269 IonicContact NH2-OD2 2.85Å; R124-D269 PolarHBondContact NH2-OD2 3.33Å; Y128-D269 HydrophobicContact CD2-CB 4.41Å; Y128-D269 HydrophobicContact CE2-CB 4.15Å; F252-D269 HydrophobicContact CE1-CB 4.5Å; F252-D269 HydrophobicContact CZ-CB 4.48Å; L256-D269 HydrophobicContact CD1-CB 3.56Å; Q265-D269 VanDerWaalsContact O-CG 3.28Å; Q265-D269 PolarHBondContact O-N 3.07Å; Q265-D269 VanDerWaalsContact O-N 3.07Å; V266-D269 PolarHBondContact O-N 3.13Å; M267-D269 VanDerWaalsContact C-N 3.31Å; M267-D269 PolarHBondContact O-N 3.2Å; D269-M271 VanDerWaalsContact C-N 3.3Å; D269-V272 PolarHBondContact O-N 3.38Å; D269-F273 WeakPolarHBondContact O-CB 3.37Å; D269-F273 PolarHBondContact O-N 3.4Å |
| 270 | C | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 174.7 | -68.8 | 0 | 0 | 0 | 0 | 111 | L182 L236 V266 M267 T274 | L182-C270 HydrophobicContact CD2-CB 3.91Å; L236-C270 HydrophobicContact CD2-CB 4.42Å; V266-C270 PolarHBondContact O-N 3.06Å; V266-C270 PolarHBondContact O-SG 3.25Å; M267-C270 CarbonylContact O-C 3.59Å; M267-C270 WeakPolarHBondContact O-CA 3.35Å; M267-C270 WeakPolarHBondContact O-CB 3.44Å; M267-C270 PolarHBondContact O-N 3.34Å; M267-C270 VanDerWaalsContact O-N 3.08Å; C270-T274 WeakPolarHBondContact O-CB 2.9Å; C270-T274 VanDerWaalsContact O-CG2 3.26Å; C270-T274 WeakPolarHBondContact O-CG2 3.18Å; C270-T274 PolarHBondContact O-N 3.24Å; C270-T274 PolarHBondContact O-OG1 2.87Å |
| 271 | M | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 173.9 | -179.5 | 71.4 | 84 | 0 | 0 | 110.6 | L108 Y110 L229 M232 E233 L236 M267 E268 D269 T274 L275 | L108-M271 HydrophobicContact CD1-CG 3.69Å; L108-M271 HydrophobicContact CD2-CG 4.32Å; Y110-M271 HydrophobicContact CE2-CB 4.14Å; Y110-M271 HydrophobicContact CE2-CG 4.13Å; Y110-M271 VanDerWaalsContact OH-CE 3.29Å; Y110-M271 WeakPolarHBondContact OH-CE 3.43Å; Y110-M271 WeakPolarHBondContact OH-CG 3.13Å; L229-M271 HydrophobicContact CD1-CE 3.8Å; M232-M271 HydrophobicContact CB-CE 3.88Å; M232-M271 HydrophobicContact CG-CE 3.49Å; M232-M271 VanDerWaalsContact CG-CE 3.49Å; M232-M271 HydrophobicContact CG-SD 3.62Å; E233-M271 HydrophobicContact CG-CE 3.88Å; L236-M271 HydrophobicContact CD1-CB 3.77Å; L236-M271 HydrophobicContact CD1-CE 3.86Å; L236-M271 HydrophobicContact CD1-CG 4.45Å; L236-M271 HydrophobicContact CD1-SD 3.9Å; M267-M271 PolarHBondContact O-N 3.15Å; M267-M271 HydrophobicContact SD-CB 4.43Å; E268-M271 WeakPolarHBondContact O-CB 3.34Å; E268-M271 PolarHBondContact O-N 3.46Å; D269-M271 VanDerWaalsContact C-N 3.3Å; M271-T274 PolarHBondContact O-N 2.97Å; M271-T274 PolarHBondContact O-OG1 3.3Å; M271-L275 HydrophobicContact CG-CD1 3.7Å; M271-L275 HydrophobicContact CG-CG 4.28Å; M271-L275 VanDerWaalsContact O-CB 3.27Å; M271-L275 WeakPolarHBondContact O-CB 3.45Å; M271-L275 VanDerWaalsContact O-CG 3.31Å; M271-L275 WeakPolarHBondContact O-CG 3.23Å; M271-L275 PolarHBondContact O-N 3.22Å; M271-L275 HydrophobicContact SD-CD1 3.63Å; M271-L275 HydrophobicContact SD-CD2 4.5Å; M271-L275 HydrophobicContact SD-CG 3.89Å |
| 272 | V | 89.6 | Confident | 93.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.5 | -52 | 178.7 | 167 | 0 | 0 | 0 | 0 | 111.2 | E101 L104 K105 L108 E268 D269 T274 L275 A276 | E101-V272 HydrophobicContact CG-CG1 4.27Å; L104-V272 HydrophobicContact CD2-CB 4.32Å; L104-V272 HydrophobicContact CD2-CG1 4.05Å; L104-V272 HydrophobicContact CD2-CG2 4.26Å; K105-V272 HydrophobicContact CD-CG2 4.47Å; K105-V272 HydrophobicContact CG-CG2 3.71Å; L108-V272 HydrophobicContact CD1-CG2 4.41Å; E268-V272 WeakPolarHBondContact O-CG2 3.5Å; E268-V272 PolarHBondContact O-N 2.98Å; D269-V272 PolarHBondContact O-N 3.38Å; V272-T274 VanDerWaalsContact C-N 3.33Å; V272-T274 PolarHBondContact O-N 2.86Å; V272-L275 PolarHBondContact O-N 2.75Å; V272-A276 WeakPolarHBondContact O-CB 3.4Å; V272-A276 PolarHBondContact O-N 2.67Å |
| 273 | F | 92.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | -178.8 | 178.3 | -117 | 0 | 0 | 0 | 111.5 | Y128 I132 V177 F252 D269 G277 E411 F414 | Y128-F273 WeakPolarHBondContact OH-CA 3.28Å; Y128-F273 WeakPolarHBondContact OH-CB 3.16Å; Y128-F273 PolarHBondContact OH-N 3.39Å; I132-F273 HydrophobicContact CD1-CD2 3.81Å; I132-F273 HydrophobicContact CD1-CE2 3.69Å; I132-F273 HydrophobicContact CG1-CD2 4.1Å; I132-F273 HydrophobicContact CG1-CE2 3.74Å; I132-F273 HydrophobicContact CG1-CZ 4.4Å; V177-F273 HydrophobicContact CG1-CD1 4.38Å; V177-F273 HydrophobicContact CG1-CE1 3.97Å; V177-F273 HydrophobicContact CG1-CZ 4.36Å; F252-F273 HydrophobicContact CB-CE1 4.42Å; F252-F273 HydrophobicContact CD1-CB 4.34Å; F252-F273 AromaticContact CD1-CD1 3.89Å; F252-F273 HydrophobicContact CD1-CD1 3.89Å; F252-F273 HydrophobicContact CD1-CG 4.19Å; F252-F273 HydrophobicContact CE1-CB 3.82Å; F252-F273 HydrophobicContact CE1-CD1 4.23Å; F252-F273 HydrophobicContact CE1-CG 4.08Å; F252-F273 HydrophobicContact CG-CD1 4.13Å; F252-F273 HydrophobicContact CG-CE1 4.39Å; F252-F273 HydrophobicContact CG-CG 4.47Å; F252-F273 HydrophobicContact CZ-CB 4.09Å; F252-F273 HydrophobicContact CZ-CG 4.29Å; D269-F273 WeakPolarHBondContact O-CB 3.37Å; D269-F273 PolarHBondContact O-N 3.4Å; F273-G277 WeakPolarHBondContact O-CA 3.21Å; F273-G277 PolarHBondContact O-N 3.17Å; F273-E411 HydrophobicContact CD2-CG 4.33Å; F273-F414 HydrophobicContact CE2-CD2 4.43Å; F273-F414 HydrophobicContact CE2-CG 4.48Å; F273-F414 HydrophobicContact CZ-CD2 4.03Å; F273-F414 HydrophobicContact CZ-CE2 4.06Å; F273-F414 HydrophobicContact CZ-CG 4.37Å; F273-F414 HydrophobicContact CZ-CZ 4.44Å |
| 274 | T | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -76.8 | -38 | -173.9 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | V177 L182 F195 C270 M271 V272 C278 | V177-T274 HydrophobicContact CG1-CG2 4.2Å; L182-T274 HydrophobicContact CD1-CG2 4.06Å; L182-T274 HydrophobicContact CD2-CG2 4.11Å; L182-T274 HydrophobicContact CG-CG2 4.01Å; F195-T274 HydrophobicContact CZ-CG2 4.48Å; C270-T274 WeakPolarHBondContact O-CB 2.9Å; C270-T274 VanDerWaalsContact O-CG2 3.26Å; C270-T274 WeakPolarHBondContact O-CG2 3.18Å; C270-T274 PolarHBondContact O-N 3.24Å; C270-T274 PolarHBondContact O-OG1 2.87Å; M271-T274 PolarHBondContact O-N 2.97Å; M271-T274 PolarHBondContact O-OG1 3.3Å; V272-T274 VanDerWaalsContact C-N 3.33Å; V272-T274 PolarHBondContact O-N 2.86Å; T274-C278 VanDerWaalsContact O-CB 3.31Å; T274-C278 WeakPolarHBondContact O-CB 2.95Å; T274-C278 PolarHBondContact O-N 3.24Å; T274-C278 PolarHBondContact O-SG 3.05Å |
| 275 | L | 92.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.6 | -59.9 | 175.1 | -76.4 | 177 | 0 | 0 | 0 | 111.5 | L108 H199 I202 W203 I206 M271 V272 | L108-L275 HydrophobicContact CD1-CD1 4.03Å; L108-L275 HydrophobicContact CD2-CD1 3.77Å; L108-L275 HydrophobicContact CG-CD1 4.47Å; H199-L275 HydrophobicContact CB-CD2 4.5Å; H199-L275 PolarHBondContact NE2-O 3.38Å; I202-L275 HydrophobicContact CB-CD2 4.27Å; I202-L275 HydrophobicContact CG2-CD1 3.81Å; I202-L275 HydrophobicContact CG2-CD2 3.97Å; W203-L275 HydrophobicContact CE3-CB 4.2Å; W203-L275 HydrophobicContact CZ3-CB 4.25Å; I206-L275 HydrophobicContact CD1-CD1 4.28Å; M271-L275 HydrophobicContact CG-CD1 3.7Å; M271-L275 HydrophobicContact CG-CG 4.28Å; M271-L275 VanDerWaalsContact O-CB 3.27Å; M271-L275 WeakPolarHBondContact O-CB 3.45Å; M271-L275 VanDerWaalsContact O-CG 3.31Å; M271-L275 WeakPolarHBondContact O-CG 3.23Å; M271-L275 PolarHBondContact O-N 3.22Å; M271-L275 HydrophobicContact SD-CD1 3.63Å; M271-L275 HydrophobicContact SD-CD2 4.5Å; M271-L275 HydrophobicContact SD-CG 3.89Å; V272-L275 PolarHBondContact O-N 2.75Å |
| 276 | A | 89.9 | Confident | 94.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -70.6 | -43 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F100 L104 W203 V272 C278 I279 I280 E411 | F100-A276 HydrophobicContact CE1-CB 3.77Å; F100-A276 HydrophobicContact CZ-CB 4.12Å; L104-A276 HydrophobicContact CD2-CB 4.1Å; W203-A276 HydrophobicContact CZ3-CB 4.43Å; V272-A276 WeakPolarHBondContact O-CB 3.4Å; V272-A276 PolarHBondContact O-N 2.67Å; A276-C278 VanDerWaalsContact C-N 3.31Å; A276-C278 PolarHBondContact O-N 2.95Å; A276-I279 PolarHBondContact O-N 3.09Å; A276-I280 HydrophobicContact CB-CD1 4.29Å; A276-I280 WeakPolarHBondContact O-CB 3.37Å; A276-I280 VanDerWaalsContact O-CG1 3.31Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.06Å; A276-E411 HydrophobicContact CB-CG 4.41Å |
| 277 | G | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F273 T281 | F273-G277 WeakPolarHBondContact O-CA 3.21Å; F273-G277 PolarHBondContact O-N 3.17Å; G277-T281 WeakPolarHBondContact O-CB 3.33Å; G277-T281 PolarHBondContact O-N 3.31Å; G277-T281 PolarHBondContact O-OG1 3.11Å |
| 278 | C | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.4 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | A173 L174 T274 A276 A282 | A173-C278 VanDerWaalsContact CB-O 3.28Å; A173-C278 WeakPolarHBondContact CB-O 3.04Å; L174-C278 HydrophobicContact CD2-CB 4.13Å; L174-C278 HydrophobicContact CG-CB 4.48Å; T274-C278 VanDerWaalsContact O-CB 3.31Å; T274-C278 WeakPolarHBondContact O-CB 2.95Å; T274-C278 PolarHBondContact O-N 3.24Å; T274-C278 PolarHBondContact O-SG 3.05Å; A276-C278 VanDerWaalsContact C-N 3.31Å; A276-C278 PolarHBondContact O-N 2.95Å; C278-A282 WeakPolarHBondContact O-CB 3.27Å; C278-A282 PolarHBondContact O-N 3.28Å |
| 279 | I | 93.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 2.1 Ų | 2.1 | 7% | 0.067 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -71 | -43.5 | -175.5 | -67.7 | -67.4 | 0 | 0 | 0 | 112 | L170 W203 A276 N283 V447 | L170-I279 HydrophobicContact CD1-CD1 4.29Å; W203-I279 HydrophobicContact CD2-CB 4.42Å; W203-I279 HydrophobicContact CD2-CD1 4.44Å; W203-I279 HydrophobicContact CD2-CG1 3.64Å; W203-I279 HydrophobicContact CE3-CG1 4.16Å; W203-I279 HydrophobicContact CG-CD1 4.19Å; W203-I279 HydrophobicContact CG-CG1 3.89Å; W203-I279 HydrophobicContact CH2-CB 4.29Å; W203-I279 HydrophobicContact CH2-CG1 4.49Å; W203-I279 HydrophobicContact CH2-CG2 4.41Å; W203-I279 HydrophobicContact CZ2-CB 3.88Å; W203-I279 HydrophobicContact CZ2-CG1 4.02Å; W203-I279 HydrophobicContact CZ2-CG2 3.6Å; A276-I279 PolarHBondContact O-N 3.09Å; I279-N283 WeakPolarHBondContact O-CB 3.49Å; I279-N283 PolarHBondContact O-N 2.99Å; I279-N283 PolarHBondContact O-ND2 3.23Å; I279-V447 HydrophobicContact CG2-CB 3.92Å; I279-V447 HydrophobicContact CG2-CG1 4.16Å; I279-V447 HydrophobicContact CG2-CG2 3.98Å |
| 280 | I | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 2.9 Ų | 2.9 | 3% | 0.026 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 178.1 | -65.9 | 167.8 | 0 | 0 | 0 | 109.9 | A276 L284 L339 E411 L412 A415 V447 | A276-I280 HydrophobicContact CB-CD1 4.29Å; A276-I280 WeakPolarHBondContact O-CB 3.37Å; A276-I280 VanDerWaalsContact O-CG1 3.31Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.06Å; I280-L284 WeakPolarHBondContact O-CB 3.16Å; I280-L284 PolarHBondContact O-N 2.91Å; I280-L339 HydrophobicContact CG2-CD2 4.36Å; I280-E411 HydrophobicContact CD1-CB 3.9Å; I280-L412 HydrophobicContact CG2-CD1 4.16Å; I280-A415 HydrophobicContact CG2-CB 3.94Å; I280-V447 HydrophobicContact CG1-CG2 3.84Å |
| 281 | T | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.006 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | A173 G277 C285 V418 | A173-T281 HydrophobicContact CB-CG2 3.99Å; G277-T281 WeakPolarHBondContact O-CB 3.33Å; G277-T281 PolarHBondContact O-N 3.31Å; G277-T281 PolarHBondContact O-OG1 3.11Å; T281-C285 PolarHBondContact O-N 2.93Å; T281-C285 VanDerWaalsContact O-N 3.12Å; T281-C285 PolarHBondContact O-SG 3.14Å; T281-V418 HydrophobicContact CG2-CB 3.75Å; T281-V418 HydrophobicContact CG2-CG1 3.63Å; T281-V418 HydrophobicContact CG2-CG2 4.08Å |
| 282 | A | 98.1 | Very high | 96 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 2% | 0.017 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -58.5 | -53.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L170 A173 C278 L284 C285 I286 | L170-A282 HydrophobicContact CB-CB 4.34Å; L170-A282 HydrophobicContact CD1-CB 4.1Å; A173-A282 HydrophobicContact CB-CB 3.79Å; C278-A282 WeakPolarHBondContact O-CB 3.27Å; C278-A282 PolarHBondContact O-N 3.28Å; A282-L284 PolarHBondContact O-N 3.5Å; A282-C285 WeakPolarHBondContact O-CB 3.35Å; A282-C285 PolarHBondContact O-N 3.4Å; A282-C285 VanDerWaalsContact O-N 3.16Å; A282-I286 HydrophobicContact CB-CD1 4.37Å; A282-I286 WeakPolarHBondContact O-CD1 2.88Å; A282-I286 WeakPolarHBondContact O-CG1 2.97Å; A282-I286 PolarHBondContact O-N 2.99Å |
| 283 | N | 97.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 4.3 Ų | 4.3 | 5% | 0.048 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -69 | -34.8 | -175.1 | -73 | -74.3 | 0 | 0 | 0 | 113 | I279 C285 I286 W287 L339 V447 T449 | I279-N283 WeakPolarHBondContact O-CB 3.49Å; I279-N283 PolarHBondContact O-N 2.99Å; I279-N283 PolarHBondContact O-ND2 3.23Å; N283-C285 VanDerWaalsContact C-N 3.31Å; N283-C285 PolarHBondContact O-N 3.32Å; N283-I286 PolarHBondContact O-N 3.15Å; N283-W287 WeakPolarHBondContact O-CB 3.37Å; N283-W287 PolarHBondContact O-N 3.43Å; N283-L339 HydrophobicContact CB-CD1 3.77Å; N283-V447 HydrophobicContact CB-CG1 3.95Å; N283-T449 WeakPolarHBondContact ND2-CG2 3.4Å; N283-T449 WeakPolarHBondContact OD1-CA 3.44Å; N283-T449 WeakPolarHBondContact OD1-CB 3.31Å; N283-T449 VanDerWaalsContact OD1-CG2 3.27Å; N283-T449 WeakPolarHBondContact OD1-CG2 3.42Å |
| 284 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 171 | 177.7 | 59.7 | 0 | 0 | 0 | 111 | I280 A282 A288 L330 T333 V334 L339 L412 A415 Y416 A419 | I280-L284 WeakPolarHBondContact O-CB 3.16Å; I280-L284 PolarHBondContact O-N 2.91Å; A282-L284 PolarHBondContact O-N 3.5Å; L284-A288 VanDerWaalsContact O-CB 3.22Å; L284-A288 WeakPolarHBondContact O-CB 3.31Å; L284-A288 PolarHBondContact O-N 3.44Å; L284-L330 HydrophobicContact CD1-CD2 4.47Å; L284-T333 HydrophobicContact CD1-CG2 3.89Å; L284-V334 HydrophobicContact CD1-CG2 3.67Å; L284-L339 HydrophobicContact CB-CD2 3.98Å; L284-L339 HydrophobicContact CD1-CD2 4.26Å; L284-L412 HydrophobicContact CD2-CD1 4.47Å; L284-A415 HydrophobicContact CD2-CB 3.8Å; L284-Y416 HydrophobicContact CD2-CD1 4Å; L284-Y416 HydrophobicContact CD2-CE1 4.41Å; L284-Y416 HydrophobicContact CD2-CG 4.48Å; L284-A419 HydrophobicContact CD2-CB 3.85Å; L284-A419 HydrophobicContact CG-CB 4.05Å |
| 285 | C | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.014 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 178 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | L169 T281 A282 N283 A288 L289 L422 | L169-C285 HydrophobicContact CB-CB 4.33Å; L169-C285 HydrophobicContact CD1-CB 3.89Å; L169-C285 HydrophobicContact CD2-CB 4.14Å; L169-C285 HydrophobicContact CG-CB 4.36Å; T281-C285 PolarHBondContact O-N 2.93Å; T281-C285 VanDerWaalsContact O-N 3.12Å; T281-C285 PolarHBondContact O-SG 3.14Å; A282-C285 WeakPolarHBondContact O-CB 3.35Å; A282-C285 PolarHBondContact O-N 3.4Å; A282-C285 VanDerWaalsContact O-N 3.16Å; N283-C285 VanDerWaalsContact C-N 3.31Å; N283-C285 PolarHBondContact O-N 3.32Å; C285-A288 PolarHBondContact O-N 3.06Å; C285-L289 WeakPolarHBondContact O-CG 3.27Å; C285-L289 PolarHBondContact O-N 2.83Å; C285-L422 HydrophobicContact CB-CD2 3.63Å |
| 286 | I | 98.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.1 | -51.9 | -178.9 | -67.1 | 157.5 | 0 | 0 | 0 | 110.1 | L165 C166 L169 A282 N283 A288 L289 H290 P450 | L165-I286 HydrophobicContact CB-CG2 4.34Å; C166-I286 HydrophobicContact CB-CD1 4.17Å; L169-I286 HydrophobicContact CB-CD1 4.43Å; L169-I286 HydrophobicContact CB-CG1 3.74Å; L169-I286 VanDerWaalsContact CD1-CA 3.47Å; L169-I286 HydrophobicContact CD1-CB 4.13Å; L169-I286 HydrophobicContact CD1-CG1 3.6Å; L169-I286 HydrophobicContact CG-CG1 4.28Å; A282-I286 HydrophobicContact CB-CD1 4.37Å; A282-I286 WeakPolarHBondContact O-CD1 2.88Å; A282-I286 WeakPolarHBondContact O-CG1 2.97Å; A282-I286 PolarHBondContact O-N 2.99Å; N283-I286 PolarHBondContact O-N 3.15Å; I286-A288 VanDerWaalsContact C-N 3.34Å; I286-A288 PolarHBondContact O-N 3.36Å; I286-L289 PolarHBondContact O-N 2.75Å; I286-H290 VanDerWaalsContact O-CB 3.3Å; I286-H290 WeakPolarHBondContact O-CB 3.26Å; I286-H290 PolarHBondContact O-N 2.76Å; I286-P450 HydrophobicContact CG2-CG 3.63Å |
| 287 | W | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | 178.6 | -71.1 | 121.3 | 0 | 0 | 0 | 112 | N283 H290 F291 T333 A337 A440 V442 S448 P450 | N283-W287 WeakPolarHBondContact O-CB 3.37Å; N283-W287 PolarHBondContact O-N 3.43Å; W287-H290 PolarHBondContact O-N 3.41Å; W287-F291 HydrophobicContact CB-CD2 4.36Å; W287-F291 HydrophobicContact CB-CE2 3.97Å; W287-F291 HydrophobicContact CE3-CE2 4.42Å; W287-F291 HydrophobicContact CE3-CZ 4.04Å; W287-F291 WeakPolarHBondContact O-CD2 3.37Å; W287-F291 WeakPolarHBondContact O-CG 3.33Å; W287-F291 PolarHBondContact O-N 2.71Å; W287-T333 HydrophobicContact CB-CG2 3.57Å; W287-A337 HydrophobicContact CB-CB 3.86Å; W287-A337 HydrophobicContact CD2-CB 3.72Å; W287-A337 HydrophobicContact CE3-CB 4.41Å; W287-A337 HydrophobicContact CG-CB 3.42Å; W287-A337 VanDerWaalsContact CG-CB 3.42Å; W287-A440 HydrophobicContact CH2-CB 4.47Å; W287-A440 HydrophobicContact CZ3-CB 4.14Å; W287-V442 HydrophobicContact CH2-CB 4.39Å; W287-V442 HydrophobicContact CH2-CG2 3.6Å; W287-V442 HydrophobicContact CZ2-CB 4.44Å; W287-V442 HydrophobicContact CZ2-CG1 4.27Å; W287-V442 HydrophobicContact CZ2-CG2 3.96Å; W287-V442 HydrophobicContact CZ3-CG2 4.38Å; W287-S448 PolarHBondContact NE1-O 3.33Å; W287-P450 HydrophobicContact CH2-CB 4.43Å; W287-P450 HydrophobicContact CH2-CG 4.07Å; W287-P450 HydrophobicContact CZ2-CB 4.47Å; W287-P450 HydrophobicContact CZ2-CG 3.88Å |
| 288 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L284 C285 I286 L292 L330 T333 L423 | L284-A288 VanDerWaalsContact O-CB 3.22Å; L284-A288 WeakPolarHBondContact O-CB 3.31Å; L284-A288 PolarHBondContact O-N 3.44Å; C285-A288 PolarHBondContact O-N 3.06Å; I286-A288 VanDerWaalsContact C-N 3.34Å; I286-A288 PolarHBondContact O-N 3.36Å; A288-L292 WeakPolarHBondContact O-CB 3.21Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 3.25Å; A288-L330 HydrophobicContact CB-CD2 4.23Å; A288-T333 HydrophobicContact CB-CG2 3.96Å; A288-T333 VanDerWaalsContact N-CG2 3.31Å; A288-L423 HydrophobicContact CB-CD1 4.48Å; A288-L423 HydrophobicContact CB-CD2 4.3Å |
| 289 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 178.2 | -63.2 | -160.5 | 0 | 0 | 0 | 111.9 | W154 L165 L169 C285 I286 L292 S293 L422 L423 L426 L432 | W154-L289 HydrophobicContact CH2-CD1 3.72Å; W154-L289 HydrophobicContact CZ3-CD1 3.75Å; L165-L289 HydrophobicContact CD1-CB 4.06Å; L165-L289 HydrophobicContact CD2-CB 4.25Å; L165-L289 HydrophobicContact CD2-CD1 3.96Å; L169-L289 HydrophobicContact CD1-CD1 3.93Å; L169-L289 HydrophobicContact CD1-CG 4.26Å; L169-L289 HydrophobicContact CD2-CD1 4.25Å; C285-L289 WeakPolarHBondContact O-CG 3.27Å; C285-L289 PolarHBondContact O-N 2.83Å; I286-L289 PolarHBondContact O-N 2.75Å; L289-L292 PolarHBondContact O-N 2.93Å; L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.39Å; L289-L422 HydrophobicContact CD1-CD2 4.38Å; L289-L422 HydrophobicContact CD2-CD2 4.49Å; L289-L422 HydrophobicContact CG-CD2 4.46Å; L289-L423 HydrophobicContact CD2-CD2 3.53Å; L289-L426 HydrophobicContact CD1-CD1 3.87Å; L289-L426 HydrophobicContact CD2-CD1 4.28Å; L289-L432 HydrophobicContact CB-CD1 4.34Å; L289-L432 HydrophobicContact CD2-CD1 3.89Å |
| 290 | H | 97.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -55.2 | 174.1 | 175.4 | 69.8 | 0 | 0 | 0 | 111.1 | I286 W287 L292 S293 T294 A440 T454 | I286-H290 VanDerWaalsContact O-CB 3.3Å; I286-H290 WeakPolarHBondContact O-CB 3.26Å; I286-H290 PolarHBondContact O-N 2.76Å; W287-H290 PolarHBondContact O-N 3.41Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 2.87Å; H290-S293 WeakPolarHBondContact O-CB 3.15Å; H290-S293 PolarHBondContact O-N 2.84Å; H290-S293 PolarHBondContact O-OG 3.06Å; H290-T294 WeakPolarHBondContact O-CG2 3.46Å; H290-T294 PolarHBondContact O-N 3.49Å; H290-A440 VanDerWaalsContact CE1-CB 3.47Å; H290-A440 WeakPolarHBondContact CE1-CB 3.31Å; H290-T454 HydrophobicContact CB-CG2 4.46Å |
| 291 | F | 97.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.088 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -35.9 | -179.7 | -63.8 | -46.7 | 0 | 0 | 0 | 113.1 | W287 S293 T294 S295 T333 T336 A337 F384 | W287-F291 HydrophobicContact CB-CD2 4.36Å; W287-F291 HydrophobicContact CB-CE2 3.97Å; W287-F291 HydrophobicContact CE3-CE2 4.42Å; W287-F291 HydrophobicContact CE3-CZ 4.04Å; W287-F291 WeakPolarHBondContact O-CD2 3.37Å; W287-F291 WeakPolarHBondContact O-CG 3.33Å; W287-F291 PolarHBondContact O-N 2.71Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 3Å; F291-T294 PolarHBondContact O-N 2.64Å; F291-T294 PolarHBondContact O-OG1 3.13Å; F291-T294 VanDerWaalsContact O-OG1 3.08Å; F291-S295 WeakPolarHBondContact O-CB 3.29Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 2.95Å; F291-T333 HydrophobicContact CD2-CG2 4.06Å; F291-T333 HydrophobicContact CE2-CG2 4.17Å; F291-T336 HydrophobicContact CE1-CG2 3.82Å; F291-T336 HydrophobicContact CE2-CG2 4.19Å; F291-T336 HydrophobicContact CZ-CG2 3.57Å; F291-A337 HydrophobicContact CE2-CB 4.02Å; F291-A337 HydrophobicContact CZ-CB 4.18Å; F291-F384 HydrophobicContact CB-CD1 3.75Å; F291-F384 HydrophobicContact CB-CD2 3.77Å; F291-F384 HydrophobicContact CB-CE1 3.59Å; F291-F384 HydrophobicContact CB-CE2 3.64Å; F291-F384 HydrophobicContact CB-CG 3.83Å; F291-F384 HydrophobicContact CB-CZ 3.55Å; F291-F384 HydrophobicContact CD1-CD2 4.16Å; F291-F384 HydrophobicContact CD1-CG 4.32Å; F291-F384 AromaticContact CD2-CD2 3.6Å; F291-F384 HydrophobicContact CD2-CD2 3.6Å; F291-F384 AromaticContact CD2-CE2 3.44Å; F291-F384 HydrophobicContact CD2-CE2 3.44Å; F291-F384 VanDerWaalsContact CD2-CE2 3.44Å; F291-F384 HydrophobicContact CD2-CG 4.43Å; F291-F384 HydrophobicContact CD2-CZ 4.14Å; F291-F384 HydrophobicContact CE2-CD2 4.2Å; F291-F384 HydrophobicContact CE2-CE2 4.26Å; F291-F384 HydrophobicContact CG-CD1 4.41Å; F291-F384 AromaticContact CG-CD2 3.59Å; F291-F384 HydrophobicContact CG-CD2 3.59Å; F291-F384 HydrophobicContact CG-CE1 4.47Å; F291-F384 AromaticContact CG-CE2 3.7Å; F291-F384 HydrophobicContact CG-CE2 3.7Å; F291-F384 AromaticContact CG-CG 3.97Å; F291-F384 HydrophobicContact CG-CG 3.97Å; F291-F384 HydrophobicContact CG-CZ 4.16Å |
| 292 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -32.4 | 173.8 | -72.7 | 171.4 | 0 | 0 | 0 | 112.7 | A288 L289 H290 T294 V298 Q299 L302 V329 L423 V427 L432 | A288-L292 WeakPolarHBondContact O-CB 3.21Å; A288-L292 WeakPolarHBondContact O-CG 3.38Å; A288-L292 PolarHBondContact O-N 3.25Å; L289-L292 PolarHBondContact O-N 2.93Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 2.87Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-V298 HydrophobicContact CD2-CG1 3.89Å; L292-Q299 HydrophobicContact CB-CG 4.33Å; L292-Q299 HydrophobicContact CD2-CB 4.2Å; L292-Q299 HydrophobicContact CD2-CG 4.33Å; L292-Q299 PolarHBondContact O-NE2 3.16Å; L292-L302 HydrophobicContact CD1-CD2 4Å; L292-L302 HydrophobicContact CD2-CD2 4Å; L292-V329 HydrophobicContact CD2-CG1 4.16Å; L292-V329 HydrophobicContact CG-CG1 4.44Å; L292-L423 HydrophobicContact CD1-CD1 4.23Å; L292-L423 HydrophobicContact CD1-CD2 3.49Å; L292-L423 VanDerWaalsContact CD1-CD2 3.49Å; L292-L423 HydrophobicContact CD1-CG 4.45Å; L292-V427 HydrophobicContact CD1-CG2 4.24Å; L292-L432 HydrophobicContact CB-CD1 3.82Å; L292-L432 HydrophobicContact CD1-CD1 4.46Å |
| 293 | S | 96.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.8 | -26.7 | 176.2 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | L289 H290 F291 Q434 | L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.39Å; H290-S293 WeakPolarHBondContact O-CB 3.15Å; H290-S293 PolarHBondContact O-N 2.84Å; H290-S293 PolarHBondContact O-OG 3.06Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 3Å; S293-Q434 PolarHBondContact O-N 2.95Å |
| 294 | T | 94.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -96.9 | -12.4 | 178.9 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | H290 F291 L292 Q434 | H290-T294 WeakPolarHBondContact O-CG2 3.46Å; H290-T294 PolarHBondContact O-N 3.49Å; F291-T294 PolarHBondContact O-N 2.64Å; F291-T294 PolarHBondContact O-OG1 3.13Å; F291-T294 VanDerWaalsContact O-OG1 3.08Å; L292-T294 VanDerWaalsContact C-N 3.28Å; T294-Q434 HydrophobicContact CG2-CB 4.15Å; T294-Q434 VanDerWaalsContact CG2-CD 3.43Å; T294-Q434 HydrophobicContact CG2-CG 3.89Å; T294-Q434 VanDerWaalsContact CG2-OE1 3.26Å |
| 295 | S | 95.9 | Very high | 97.7 | Very high | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | trans | -122.7 | 80.7 | -174.8 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | F291 E297 V298 Q299 | F291-S295 WeakPolarHBondContact O-CB 3.29Å; F291-S295 PolarHBondContact O-N 3.38Å; F291-S295 PolarHBondContact O-OG 2.95Å; S295-E297 VanDerWaalsContact C-N 3.32Å; S295-E297 PolarHBondContact O-N 2.75Å; S295-V298 PolarHBondContact O-N 3.06Å; S295-Q299 PolarHBondContact O-N 2.68Å | ||
| 296 | K | 95.7 | Very high | 97.7 | Very high | 120 Ų | 120 | 33.9 Ų | 33.9 | 52% | 0.522 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.5 | -42.7 | -175.1 | -177.3 | -178 | 174.7 | -172 | 0 | 112.6 | Q299 D300 | K296-Q299 WeakPolarHBondContact O-CB 3.47Å; K296-Q299 PolarHBondContact O-N 2.8Å; K296-D300 WeakPolarHBondContact O-CB 3.47Å; K296-D300 PolarHBondContact O-N 3.43Å |
| 297 | E | 97.6 | Very high | 97.6 | Very high | 145 Ų | 145 | 36.3 Ų | 36.3 | 68% | 0.678 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -64.7 | -42.7 | -178.2 | -64.8 | 67.9 | -147.9 | 0 | 0 | 111.1 | S295 Q299 D300 K301 | S295-E297 VanDerWaalsContact C-N 3.32Å; S295-E297 PolarHBondContact O-N 2.75Å; E297-Q299 VanDerWaalsContact C-N 3.35Å; E297-D300 PolarHBondContact O-N 3.43Å; E297-K301 WeakPolarHBondContact O-CB 3.44Å; E297-K301 PolarHBondContact O-N 2.95Å |
| 298 | V | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.9 | 176 | 0 | 0 | 0 | 0 | 110.4 | L292 S295 D300 K301 L302 Y325 V329 F384 P386 | L292-V298 HydrophobicContact CD2-CG1 3.89Å; S295-V298 PolarHBondContact O-N 3.06Å; V298-D300 VanDerWaalsContact C-N 3.34Å; V298-D300 PolarHBondContact O-N 3.06Å; V298-K301 PolarHBondContact O-N 2.68Å; V298-L302 WeakPolarHBondContact O-CB 3.41Å; V298-L302 PolarHBondContact O-N 2.92Å; V298-Y325 HydrophobicContact CG1-CE1 4.24Å; V298-V329 HydrophobicContact CG1-CG2 3.83Å; V298-F384 HydrophobicContact CG1-CE1 3.95Å; V298-F384 HydrophobicContact CG2-CD1 4.43Å; V298-F384 HydrophobicContact CG2-CE1 4.46Å; V298-P386 HydrophobicContact CG1-CG 3.67Å; V298-P386 HydrophobicContact CG2-CG 4.16Å |
| 299 | Q | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.2 | -159.1 | -166.5 | 135.3 | 0 | 0 | 112.2 | L292 S295 K296 E297 Y303 V427 L432 | L292-Q299 HydrophobicContact CB-CG 4.33Å; L292-Q299 HydrophobicContact CD2-CB 4.2Å; L292-Q299 HydrophobicContact CD2-CG 4.33Å; L292-Q299 PolarHBondContact O-NE2 3.16Å; S295-Q299 PolarHBondContact O-N 2.68Å; K296-Q299 WeakPolarHBondContact O-CB 3.47Å; K296-Q299 PolarHBondContact O-N 2.8Å; E297-Q299 VanDerWaalsContact C-N 3.35Å; Q299-Y303 WeakPolarHBondContact O-CB 3.47Å; Q299-Y303 PolarHBondContact O-N 3.28Å; Q299-V427 HydrophobicContact CG-CG1 4.4Å; Q299-L432 PolarHBondContact NE2-O 2.76Å |
| 300 | D | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -75.4 | -34.2 | 179.9 | -70 | -24.8 | 0 | 0 | 0 | 111.8 | K296 E297 V298 Y303 Q304 K431 R461 | K296-D300 WeakPolarHBondContact O-CB 3.47Å; K296-D300 PolarHBondContact O-N 3.43Å; E297-D300 PolarHBondContact O-N 3.43Å; V298-D300 VanDerWaalsContact C-N 3.34Å; V298-D300 PolarHBondContact O-N 3.06Å; D300-Y303 PolarHBondContact O-N 2.89Å; D300-Q304 PolarHBondContact O-N 3.39Å; D300-K431 VanDerWaalsContact CG-NZ 3.31Å; D300-K431 IonicContact OD1-NZ 3.39Å; D300-K431 PolarHBondContact OD1-NZ 2.69Å; D300-K431 IonicContact OD2-NZ 3.05Å; D300-K431 PolarHBondContact OD2-NZ 3.11Å; D300-R461 IonicContact OD1-CZ 3.01Å; D300-R461 IonicContact OD1-NH1 2.68Å; D300-R461 PolarHBondContact OD1-NH1 2.77Å; D300-R461 IonicContact OD1-NH2 3.59Å; D300-R461 PolarHBondContact OD1-NH2 3.43Å |
| 301 | K | 98.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 34% | 0.335 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 170.5 | -174.5 | 171.2 | 172.2 | -170.5 | 0 | 112 | E297 V298 Q304 E305 Y325 D387 E390 | E297-K301 WeakPolarHBondContact O-CB 3.44Å; E297-K301 PolarHBondContact O-N 2.95Å; V298-K301 PolarHBondContact O-N 2.68Å; K301-Q304 PolarHBondContact O-N 3.03Å; K301-E305 PolarHBondContact O-N 3.06Å; K301-E305 VanDerWaalsContact O-N 3.13Å; K301-Y325 HydrophobicContact CB-CD1 4.38Å; K301-Y325 HydrophobicContact CB-CE1 3.72Å; K301-Y325 HydrophobicContact CD-CD2 4.15Å; K301-Y325 HydrophobicContact CD-CE1 3.96Å; K301-Y325 HydrophobicContact CD-CE2 3.63Å; K301-Y325 VanDerWaalsContact CD-CZ 3.47Å; K301-Y325 VanDerWaalsContact CE-CE2 3.42Å; K301-Y325 HydrophobicContact CG-CD1 3.97Å; K301-Y325 HydrophobicContact CG-CD2 4.36Å; K301-Y325 HydrophobicContact CG-CE1 3.62Å; K301-Y325 HydrophobicContact CG-CE2 4.13Å; K301-Y325 HydrophobicContact CG-CG 4.31Å; K301-D387 IonicContact NZ-OD1 2.93Å; K301-D387 PolarHBondContact NZ-OD1 3.02Å; K301-D387 IonicContact NZ-OD2 2.68Å; K301-D387 PolarHBondContact NZ-OD2 3.44Å; K301-E390 IonicContact NZ-OE1 3.22Å |
| 302 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.4 | 176.9 | 60.1 | 0 | 0 | 0 | 111.8 | L292 V298 Q304 E305 L306 Y325 C326 V329 L423 V427 | L292-L302 HydrophobicContact CD1-CD2 4Å; L292-L302 HydrophobicContact CD2-CD2 4Å; V298-L302 WeakPolarHBondContact O-CB 3.41Å; V298-L302 PolarHBondContact O-N 2.92Å; L302-Q304 VanDerWaalsContact C-N 3.27Å; L302-Q304 PolarHBondContact O-N 3.2Å; L302-E305 PolarHBondContact O-N 3.39Å; L302-L306 HydrophobicContact CD1-CD1 4.09Å; L302-L306 HydrophobicContact CD1-CG 4.16Å; L302-L306 HydrophobicContact CG-CD1 3.92Å; L302-L306 HydrophobicContact CG-CG 4.46Å; L302-L306 WeakPolarHBondContact O-CD1 3.48Å; L302-L306 WeakPolarHBondContact O-CG 3.42Å; L302-L306 PolarHBondContact O-N 3.48Å; L302-Y325 HydrophobicContact CB-CD1 3.98Å; L302-Y325 HydrophobicContact CB-CE1 4.09Å; L302-Y325 HydrophobicContact CD1-CD1 4.35Å; L302-C326 HydrophobicContact CD1-CB 3.66Å; L302-V329 HydrophobicContact CD2-CG1 4.46Å; L302-V329 HydrophobicContact CD2-CG2 4.49Å; L302-L423 HydrophobicContact CD2-CB 4.42Å; L302-L423 HydrophobicContact CD2-CD1 4.19Å; L302-V427 HydrophobicContact CD2-CG1 4.46Å; L302-V427 HydrophobicContact CD2-CG2 4.03Å; L302-V427 HydrophobicContact CG-CG1 4.34Å |
| 303 | Y | 98.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.5 | -44.5 | 174 | 174.2 | -99.8 | 0 | 0 | 0 | 111.7 | Q299 D300 L306 Q307 V427 R461 | Q299-Y303 WeakPolarHBondContact O-CB 3.47Å; Q299-Y303 PolarHBondContact O-N 3.28Å; D300-Y303 PolarHBondContact O-N 2.89Å; Y303-L306 PolarHBondContact O-N 2.92Å; Y303-Q307 HydrophobicContact CD1-CG 4.28Å; Y303-Q307 HydrophobicContact CD2-CG 4.5Å; Y303-Q307 HydrophobicContact CE1-CG 3.82Å; Y303-Q307 HydrophobicContact CE2-CG 4.08Å; Y303-Q307 WeakPolarHBondContact O-CG 3.49Å; Y303-Q307 PolarHBondContact O-N 2.77Å; Y303-Q307 PolarHBondContact OH-NE2 3.3Å; Y303-V427 VanDerWaalsContact CD2-O 3.32Å; Y303-V427 WeakPolarHBondContact CD2-O 3.42Å; Y303-R461 VanDerWaalsContact CD2-CD 3.45Å; Y303-R461 VanDerWaalsContact CE2-CD 3.49Å |
| 304 | Q | 98.1 | Very high | 96.4 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | -180 | -170.5 | 60.1 | 51.6 | 0 | 0 | 112.3 | D300 K301 L302 L306 Q307 D308 | D300-Q304 PolarHBondContact O-N 3.39Å; K301-Q304 PolarHBondContact O-N 3.03Å; L302-Q304 VanDerWaalsContact C-N 3.27Å; L302-Q304 PolarHBondContact O-N 3.2Å; Q304-L306 VanDerWaalsContact C-N 3.26Å; Q304-L306 PolarHBondContact O-N 2.83Å; Q304-Q307 PolarHBondContact O-N 2.93Å; Q304-Q307 VanDerWaalsContact O-N 3.15Å; Q304-D308 PolarHBondContact NE2-OD1 3.4Å; Q304-D308 PolarHBondContact NE2-OD2 3.32Å; Q304-D308 VanDerWaalsContact O-CG 3.23Å; Q304-D308 PolarHBondContact O-N 3.22Å |
| 305 | E | 98.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 175.2 | 175.1 | 179.7 | -109.8 | 0 | 0 | 111.4 | K301 L302 Q307 D308 V309 L323 R324 Y325 C326 | K301-E305 PolarHBondContact O-N 3.06Å; K301-E305 VanDerWaalsContact O-N 3.13Å; L302-E305 PolarHBondContact O-N 3.39Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.96Å; E305-D308 PolarHBondContact O-N 2.83Å; E305-V309 HydrophobicContact CG-CG2 4.02Å; E305-V309 WeakPolarHBondContact O-CB 3.33Å; E305-V309 WeakPolarHBondContact O-CG2 3.48Å; E305-V309 PolarHBondContact O-N 3.25Å; E305-L323 HydrophobicContact CG-CD2 4.27Å; E305-L323 WeakPolarHBondContact OE2-CA 3.23Å; E305-R324 PolarHBondContact OE1-N 3.06Å; E305-Y325 VanDerWaalsContact CD-CB 3.43Å; E305-Y325 VanDerWaalsContact CD-N 3.29Å; E305-Y325 WeakPolarHBondContact OE1-CB 3.47Å; E305-Y325 PolarHBondContact OE1-N 3.18Å; E305-Y325 WeakPolarHBondContact OE2-CB 3.41Å; E305-Y325 PolarHBondContact OE2-N 3.26Å; E305-C326 PolarHBondContact OE2-N 3.09Å |
| 306 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -37.5 | -178.7 | -68.9 | 169.1 | 0 | 0 | 0 | 111.8 | L302 Y303 Q304 L310 L323 S424 V427 R428 | L302-L306 HydrophobicContact CD1-CD1 4.09Å; L302-L306 HydrophobicContact CD1-CG 4.16Å; L302-L306 HydrophobicContact CG-CD1 3.92Å; L302-L306 HydrophobicContact CG-CG 4.46Å; L302-L306 WeakPolarHBondContact O-CD1 3.48Å; L302-L306 WeakPolarHBondContact O-CG 3.42Å; L302-L306 PolarHBondContact O-N 3.48Å; Y303-L306 PolarHBondContact O-N 2.92Å; Q304-L306 VanDerWaalsContact C-N 3.26Å; Q304-L306 PolarHBondContact O-N 2.83Å; L306-L310 HydrophobicContact CD2-CD1 3.92Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 WeakPolarHBondContact O-CG 3.17Å; L306-L310 PolarHBondContact O-N 3.1Å; L306-L310 VanDerWaalsContact O-N 3.15Å; L306-L323 HydrophobicContact CD2-CD1 4.05Å; L306-L323 HydrophobicContact CD2-CD2 3.91Å; L306-S424 VanDerWaalsContact CD2-CB 3.49Å; L306-V427 HydrophobicContact CD1-CB 3.93Å; L306-V427 HydrophobicContact CD1-CG1 4.12Å; L306-R428 HydrophobicContact CB-CG 3.81Å; L306-R428 HydrophobicContact CD1-CG 4.24Å |
| 307 | Q | 96.8 | Very high | 96.3 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 173.3 | -65.7 | -57.2 | -34.3 | 0 | 0 | 111.6 | Y303 Q304 E305 V309 G311 | Y303-Q307 HydrophobicContact CD1-CG 4.28Å; Y303-Q307 HydrophobicContact CD2-CG 4.5Å; Y303-Q307 HydrophobicContact CE1-CG 3.82Å; Y303-Q307 HydrophobicContact CE2-CG 4.08Å; Y303-Q307 WeakPolarHBondContact O-CG 3.49Å; Y303-Q307 PolarHBondContact O-N 2.77Å; Y303-Q307 PolarHBondContact OH-NE2 3.3Å; Q304-Q307 PolarHBondContact O-N 2.93Å; Q304-Q307 VanDerWaalsContact O-N 3.15Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.96Å; Q307-V309 PolarHBondContact O-N 3.49Å; Q307-G311 VanDerWaalsContact O-CA 3.23Å; Q307-G311 WeakPolarHBondContact O-CA 2.83Å; Q307-G311 PolarHBondContact O-N 2.88Å |
| 308 | D | 97.3 | Very high | 96.1 | Very high | 115 Ų | 115 | 50 Ų | 50 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | -175.4 | -65.5 | -19.2 | 0 | 0 | 0 | 112.5 | Q304 E305 | Q304-D308 PolarHBondContact NE2-OD1 3.4Å; Q304-D308 PolarHBondContact NE2-OD2 3.32Å; Q304-D308 VanDerWaalsContact O-CG 3.23Å; Q304-D308 PolarHBondContact O-N 3.22Å; E305-D308 PolarHBondContact O-N 2.83Å |
| 309 | V | 97.9 | Very high | 96 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -88.4 | -38.7 | -174.3 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | E305 Q307 K319 Q322 L323 | E305-V309 HydrophobicContact CG-CG2 4.02Å; E305-V309 WeakPolarHBondContact O-CB 3.33Å; E305-V309 WeakPolarHBondContact O-CG2 3.48Å; E305-V309 PolarHBondContact O-N 3.25Å; Q307-V309 PolarHBondContact O-N 3.49Å; V309-K319 HydrophobicContact CG1-CD 4.24Å; V309-K319 PolarHBondContact O-NZ 3.43Å; V309-Q322 HydrophobicContact CG1-CB 3.65Å; V309-L323 HydrophobicContact CB-CD2 3.8Å; V309-L323 HydrophobicContact CG1-CD2 3.76Å; V309-L323 HydrophobicContact CG2-CD2 4.25Å |
| 310 | L | 96.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -99.3 | -24.6 | -174.3 | -50.4 | 178.6 | 0 | 0 | 0 | 112.8 | L306 S312 D313 V315 K319 L323 | L306-L310 HydrophobicContact CD2-CD1 3.92Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 WeakPolarHBondContact O-CG 3.17Å; L306-L310 PolarHBondContact O-N 3.1Å; L306-L310 VanDerWaalsContact O-N 3.15Å; L310-S312 PolarHBondContact O-N 3.46Å; L310-D313 PolarHBondContact O-N 2.93Å; L310-V315 HydrophobicContact CD1-CB 4.12Å; L310-K319 HydrophobicContact CD2-CB 3.76Å; L310-K319 HydrophobicContact CD2-CD 4.39Å; L310-K319 HydrophobicContact CD2-CG 4.19Å; L310-L323 HydrophobicContact CD2-CD2 4.29Å; L310-L323 HydrophobicContact CG-CD2 4.24Å |
| 311 | G | 92.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -124.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q307 R428 | Q307-G311 VanDerWaalsContact O-CA 3.23Å; Q307-G311 WeakPolarHBondContact O-CA 2.83Å; Q307-G311 PolarHBondContact O-N 2.88Å; G311-R428 PolarHBondContact O-NH2 3.24Å |
| 312 | S | 89.2 | Confident | 95.7 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 74% | 0.741 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -21.6 | 173.9 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | L310 R428 | L310-S312 PolarHBondContact O-N 3.46Å; S312-R428 VanDerWaalsContact C-NH2 3.31Å; S312-R428 PolarHBondContact O-NH2 2.7Å; S312-R428 VanDerWaalsContact O-NH2 3.14Å |
| 313 | D | 92.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.1 | 151.3 | -168.8 | -63.2 | -26.5 | 0 | 0 | 0 | 111.8 | L310 R428 | L310-D313 PolarHBondContact O-N 2.93Å; D313-R428 PolarHBondContact O-NH1 3.42Å; D313-R428 PolarHBondContact O-NH2 3.24Å |
| 314 | P | 92.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 159 | 167.7 | 27.8 | -32.2 | 0 | 0 | 0 | 110.5 | L144 | L144-P314 HydrophobicContact CD2-CB 3.93Å; L144-P314 HydrophobicContact CD2-CG 4.47Å |
| 315 | V | 96.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 142.4 | 174.6 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | F140 L144 L310 I320 L323 V421 S424 | F140-V315 VanDerWaalsContact CE1-O 3.28Å; F140-V315 WeakPolarHBondContact CE1-O 3.31Å; F140-V315 HydrophobicContact CZ-CG1 4.21Å; L144-V315 HydrophobicContact CD1-CG1 4.1Å; L310-V315 HydrophobicContact CD1-CB 4.12Å; V315-I320 HydrophobicContact CG2-CG1 3.87Å; V315-L323 HydrophobicContact CG2-CD1 4.15Å; V315-V421 HydrophobicContact CG1-CB 4.3Å; V315-V421 HydrophobicContact CG1-CG1 4.02Å; V315-V421 HydrophobicContact CG1-CG2 4.07Å; V315-S424 WeakPolarHBondContact CB-OG 3.39Å; V315-S424 VanDerWaalsContact CG1-OG 3.26Å; V315-S424 WeakPolarHBondContact CG1-OG 3.39Å |
| 316 | S | 95 | Very high | 95.6 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | trans | -129 | 160.2 | 175.6 | 67 | 0 | 0 | 0 | 0 | 111 | D318 K319 I320 | S316-D318 WeakPolarHBondContact CB-OD1 3.4Å; S316-D318 PolarHBondContact O-N 3.49Å; S316-D318 VanDerWaalsContact OG-CG 3.25Å; S316-D318 PolarHBondContact OG-OD1 2.9Å; S316-D318 PolarHBondContact OG-OD2 3.35Å; S316-K319 PolarHBondContact O-N 3.02Å; S316-K319 WeakPolarHBondContact OG-CB 3.34Å; S316-K319 WeakPolarHBondContact OG-CG 3.3Å; S316-K319 PolarHBondContact OG-N 2.96Å; S316-I320 PolarHBondContact O-N 2.96Å; S316-I320 VanDerWaalsContact O-N 3.07Å | ||
| 317 | L | 92.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 61.5 Ų | 61.5 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.6 | 179.7 | -76.1 | 172.8 | 0 | 0 | 0 | 113.3 | K137 F140 K319 I320 P321 | K137-L317 HydrophobicContact CB-CD1 4.49Å; K137-L317 HydrophobicContact CG-CD1 4.4Å; F140-L317 HydrophobicContact CB-CD1 3.8Å; F140-L317 HydrophobicContact CB-CD2 4.38Å; F140-L317 HydrophobicContact CB-CG 3.93Å; F140-L317 HydrophobicContact CD1-CG 4.18Å; F140-L317 HydrophobicContact CD2-CD1 4.22Å; F140-L317 HydrophobicContact CD2-CD2 3.3Å; F140-L317 HydrophobicContact CD2-CG 3.46Å; F140-L317 VanDerWaalsContact CD2-CG 3.46Å; F140-L317 HydrophobicContact CE2-CD2 3.68Å; F140-L317 HydrophobicContact CE2-CG 3.93Å; F140-L317 HydrophobicContact CG-CD1 4.03Å; F140-L317 HydrophobicContact CG-CD2 3.96Å; F140-L317 HydrophobicContact CG-CG 3.58Å; F140-L317 HydrophobicContact CZ-CG 4.46Å; L317-K319 VanDerWaalsContact C-N 3.31Å; L317-I320 HydrophobicContact CD2-CD1 4.29Å; L317-P321 WeakPolarHBondContact O-CD 3.47Å |
| 318 | D | 94 | Very high | 95.7 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.8 | 178.3 | 61.1 | -70.1 | 0 | 0 | 0 | 113.1 | S316 Q322 | S316-D318 WeakPolarHBondContact CB-OD1 3.4Å; S316-D318 PolarHBondContact O-N 3.49Å; S316-D318 VanDerWaalsContact OG-CG 3.25Å; S316-D318 PolarHBondContact OG-OD1 2.9Å; S316-D318 PolarHBondContact OG-OD2 3.35Å; D318-Q322 PolarHBondContact O-NE2 3.14Å; D318-Q322 VanDerWaalsContact O-NE2 3.11Å |
| 319 | K | 95.7 | Very high | 95.8 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -26.4 | 176.9 | -71 | -76.9 | 180 | 169.8 | 0 | 113.3 | V309 L310 S316 L317 Q322 | V309-K319 HydrophobicContact CG1-CD 4.24Å; V309-K319 PolarHBondContact O-NZ 3.43Å; L310-K319 HydrophobicContact CD2-CB 3.76Å; L310-K319 HydrophobicContact CD2-CD 4.39Å; L310-K319 HydrophobicContact CD2-CG 4.19Å; S316-K319 PolarHBondContact O-N 3.02Å; S316-K319 WeakPolarHBondContact OG-CB 3.34Å; S316-K319 WeakPolarHBondContact OG-CG 3.3Å; S316-K319 PolarHBondContact OG-N 2.96Å; L317-K319 VanDerWaalsContact C-N 3.31Å; K319-Q322 WeakPolarHBondContact O-CA 3.39Å; K319-Q322 VanDerWaalsContact O-CB 3.29Å; K319-Q322 WeakPolarHBondContact O-CB 3.13Å; K319-Q322 PolarHBondContact O-N 3.36Å |
| 320 | I | 95.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -49.8 | -47.7 | 179.1 | -74.8 | 176.5 | 0 | 0 | 0 | 112.9 | F140 V315 S316 L317 Q322 L323 T417 T420 | F140-I320 HydrophobicContact CE2-CD1 3.81Å; F140-I320 HydrophobicContact CZ-CD1 4.29Å; V315-I320 HydrophobicContact CG2-CG1 3.87Å; S316-I320 PolarHBondContact O-N 2.96Å; S316-I320 VanDerWaalsContact O-N 3.07Å; L317-I320 HydrophobicContact CD2-CD1 4.29Å; I320-Q322 PolarHBondContact O-N 2.96Å; I320-Q322 VanDerWaalsContact O-N 3.07Å; I320-L323 PolarHBondContact O-N 2.87Å; I320-L323 VanDerWaalsContact O-N 3.08Å; I320-T417 HydrophobicContact CD1-CG2 4Å; I320-T420 HydrophobicContact CD1-CG2 4.43Å; I320-T420 HydrophobicContact CG1-CG2 3.96Å; I320-T420 HydrophobicContact CG2-CG2 4.26Å |
| 321 | P | 95 | Very high | 95.9 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 66% | 0.662 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.6 | -15.4 | 179.1 | -23.9 | 35.1 | 0 | 0 | 0 | 115 | L317 | L317-P321 WeakPolarHBondContact O-CD 3.47Š|
| 322 | Q | 97.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -86.5 | -17.3 | 179.1 | -57.5 | 171.2 | 44.5 | 0 | 0 | 112 | V309 D318 K319 I320 R324 | V309-Q322 HydrophobicContact CG1-CB 3.65Å; D318-Q322 PolarHBondContact O-NE2 3.14Å; D318-Q322 VanDerWaalsContact O-NE2 3.11Å; K319-Q322 WeakPolarHBondContact O-CA 3.39Å; K319-Q322 VanDerWaalsContact O-CB 3.29Å; K319-Q322 WeakPolarHBondContact O-CB 3.13Å; K319-Q322 PolarHBondContact O-N 3.36Å; I320-Q322 PolarHBondContact O-N 2.96Å; I320-Q322 VanDerWaalsContact O-N 3.07Å; Q322-R324 VanDerWaalsContact C-N 3.3Å; Q322-R324 PolarHBondContact O-N 3.03Å |
| 323 | L | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | trans | -82.8 | 69.2 | 178.9 | -58.9 | 178.2 | 0 | 0 | 0 | 111.1 | E305 L306 V309 L310 V315 I320 C326 Q327 T420 | E305-L323 HydrophobicContact CG-CD2 4.27Å; E305-L323 WeakPolarHBondContact OE2-CA 3.23Å; L306-L323 HydrophobicContact CD2-CD1 4.05Å; L306-L323 HydrophobicContact CD2-CD2 3.91Å; V309-L323 HydrophobicContact CB-CD2 3.8Å; V309-L323 HydrophobicContact CG1-CD2 3.76Å; V309-L323 HydrophobicContact CG2-CD2 4.25Å; L310-L323 HydrophobicContact CD2-CD2 4.29Å; L310-L323 HydrophobicContact CG-CD2 4.24Å; V315-L323 HydrophobicContact CG2-CD1 4.15Å; I320-L323 PolarHBondContact O-N 2.87Å; I320-L323 VanDerWaalsContact O-N 3.08Å; L323-C326 HydrophobicContact CB-CB 3.74Å; L323-C326 PolarHBondContact O-N 3.24Å; L323-Q327 PolarHBondContact O-N 3.45Å; L323-T420 HydrophobicContact CD1-CG2 3.85Å | ||
| 324 | R | 97.7 | Very high | 96.8 | Very high | 191 Ų | 191 | 41.7 Ų | 41.7 | 72% | 0.721 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -65.5 | -47.1 | -173 | -66.4 | -178.5 | 179.5 | 176.5 | 1.6 | 111.8 | E305 Q322 Q327 Q328 | E305-R324 PolarHBondContact OE1-N 3.06Å; Q322-R324 VanDerWaalsContact C-N 3.3Å; Q322-R324 PolarHBondContact O-N 3.03Å; R324-Q327 WeakPolarHBondContact O-CB 3.21Å; R324-Q327 PolarHBondContact O-N 3.37Å; R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.07Å |
| 325 | Y | 98.7 | Very high | 97 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 178.5 | -165.5 | -107.3 | 0 | 0 | 0 | 111.4 | V298 K301 L302 E305 Q327 Q328 V329 P386 D387 | V298-Y325 HydrophobicContact CG1-CE1 4.24Å; K301-Y325 HydrophobicContact CB-CD1 4.38Å; K301-Y325 HydrophobicContact CB-CE1 3.72Å; K301-Y325 HydrophobicContact CD-CD2 4.15Å; K301-Y325 HydrophobicContact CD-CE1 3.96Å; K301-Y325 HydrophobicContact CD-CE2 3.63Å; K301-Y325 VanDerWaalsContact CD-CZ 3.47Å; K301-Y325 VanDerWaalsContact CE-CE2 3.42Å; K301-Y325 HydrophobicContact CG-CD1 3.97Å; K301-Y325 HydrophobicContact CG-CD2 4.36Å; K301-Y325 HydrophobicContact CG-CE1 3.62Å; K301-Y325 HydrophobicContact CG-CE2 4.13Å; K301-Y325 HydrophobicContact CG-CG 4.31Å; L302-Y325 HydrophobicContact CB-CD1 3.98Å; L302-Y325 HydrophobicContact CB-CE1 4.09Å; L302-Y325 HydrophobicContact CD1-CD1 4.35Å; E305-Y325 VanDerWaalsContact CD-CB 3.43Å; E305-Y325 VanDerWaalsContact CD-N 3.29Å; E305-Y325 WeakPolarHBondContact OE1-CB 3.47Å; E305-Y325 PolarHBondContact OE1-N 3.18Å; E305-Y325 WeakPolarHBondContact OE2-CB 3.41Å; E305-Y325 PolarHBondContact OE2-N 3.26Å; Y325-Q327 VanDerWaalsContact C-N 3.3Å; Y325-Q327 PolarHBondContact O-N 3.29Å; Y325-Q328 WeakPolarHBondContact O-CA 3.38Å; Y325-Q328 WeakPolarHBondContact O-CB 3.2Å; Y325-Q328 PolarHBondContact O-N 3.09Å; Y325-Q328 VanDerWaalsContact O-N 3.08Å; Y325-V329 HydrophobicContact CD1-CG2 4Å; Y325-V329 HydrophobicContact CE1-CG2 3.75Å; Y325-V329 WeakPolarHBondContact O-CG2 2.97Å; Y325-V329 PolarHBondContact O-N 3.41Å; Y325-P386 HydrophobicContact CE2-CB 3.94Å; Y325-D387 WeakPolarHBondContact CE2-OD1 3.32Å; Y325-D387 PolarHBondContact OH-OD1 3.47Å |
| 326 | C | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -44.8 | 170.9 | -169 | 0 | 0 | 0 | 0 | 111.8 | L302 E305 L323 Q328 V329 L330 | L302-C326 HydrophobicContact CD1-CB 3.66Å; E305-C326 PolarHBondContact OE2-N 3.09Å; L323-C326 HydrophobicContact CB-CB 3.74Å; L323-C326 PolarHBondContact O-N 3.24Å; C326-Q328 VanDerWaalsContact C-N 3.32Å; C326-Q328 PolarHBondContact O-N 2.77Å; C326-V329 WeakPolarHBondContact O-CB 3.43Å; C326-V329 PolarHBondContact O-N 3.24Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.01Å |
| 327 | Q | 98.1 | Very high | 97 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 174.9 | -174.5 | 63.9 | 62.4 | 0 | 0 | 112.1 | L323 R324 Y325 L330 N331 | L323-Q327 PolarHBondContact O-N 3.45Å; R324-Q327 WeakPolarHBondContact O-CB 3.21Å; R324-Q327 PolarHBondContact O-N 3.37Å; Y325-Q327 VanDerWaalsContact C-N 3.3Å; Y325-Q327 PolarHBondContact O-N 3.29Å; Q327-L330 PolarHBondContact O-N 2.88Å; Q327-N331 PolarHBondContact NE2-OD1 2.78Å; Q327-N331 WeakPolarHBondContact O-CB 3.46Å; Q327-N331 PolarHBondContact O-N 3.2Å; Q327-N331 PolarHBondContact O-ND2 3.03Å; Q327-N331 PolarHBondContact O-OD1 3.17Å |
| 328 | Q | 98.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.2 | -67 | 175.2 | -21.8 | 0 | 0 | 111.7 | R324 Y325 C326 L330 N331 E332 P386 F389 E390 | R324-Q328 WeakPolarHBondContact O-CG 3.25Å; R324-Q328 PolarHBondContact O-N 3.07Å; Y325-Q328 WeakPolarHBondContact O-CA 3.38Å; Y325-Q328 WeakPolarHBondContact O-CB 3.2Å; Y325-Q328 PolarHBondContact O-N 3.09Å; Y325-Q328 VanDerWaalsContact O-N 3.08Å; C326-Q328 VanDerWaalsContact C-N 3.32Å; C326-Q328 PolarHBondContact O-N 2.77Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 3.31Å; Q328-N331 PolarHBondContact O-N 2.78Å; Q328-E332 WeakPolarHBondContact O-CB 3.5Å; Q328-E332 PolarHBondContact O-N 3.4Å; Q328-P386 HydrophobicContact CB-CB 4.07Å; Q328-F389 HydrophobicContact CB-CB 4Å; Q328-F389 HydrophobicContact CG-CB 3.64Å; Q328-E390 VanDerWaalsContact NE2-CG 3.33Å |
| 329 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | L292 V298 L302 Y325 C326 E332 T333 F384 P386 L423 | L292-V329 HydrophobicContact CD2-CG1 4.16Å; L292-V329 HydrophobicContact CG-CG1 4.44Å; V298-V329 HydrophobicContact CG1-CG2 3.83Å; L302-V329 HydrophobicContact CD2-CG1 4.46Å; L302-V329 HydrophobicContact CD2-CG2 4.49Å; Y325-V329 HydrophobicContact CD1-CG2 4Å; Y325-V329 HydrophobicContact CE1-CG2 3.75Å; Y325-V329 WeakPolarHBondContact O-CG2 2.97Å; Y325-V329 PolarHBondContact O-N 3.41Å; C326-V329 WeakPolarHBondContact O-CB 3.43Å; C326-V329 PolarHBondContact O-N 3.24Å; V329-E332 PolarHBondContact O-N 2.77Å; V329-T333 WeakPolarHBondContact O-CB 3.38Å; V329-T333 PolarHBondContact O-N 3.33Å; V329-T333 PolarHBondContact O-OG1 3.39Å; V329-F384 HydrophobicContact CG1-CZ 4.25Å; V329-P386 HydrophobicContact CB-CG 4.43Å; V329-P386 HydrophobicContact CG2-CB 4.01Å; V329-P386 HydrophobicContact CG2-CG 3.8Å; V329-L423 HydrophobicContact CG1-CD1 4.1Å |
| 330 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 179.3 | -65.5 | 175.2 | 0 | 0 | 0 | 112.4 | L284 A288 C326 Q327 Q328 T333 V334 Y416 A419 T420 L423 | L284-L330 HydrophobicContact CD1-CD2 4.47Å; A288-L330 HydrophobicContact CB-CD2 4.23Å; C326-L330 WeakPolarHBondContact O-CG 3.44Å; C326-L330 PolarHBondContact O-N 3.01Å; Q327-L330 PolarHBondContact O-N 2.88Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 3.31Å; L330-T333 WeakPolarHBondContact O-CB 3.13Å; L330-T333 PolarHBondContact O-N 3.36Å; L330-V334 PolarHBondContact O-N 2.87Å; L330-Y416 HydrophobicContact CB-CD1 3.66Å; L330-Y416 HydrophobicContact CB-CE1 3.67Å; L330-Y416 HydrophobicContact CD1-CD1 4.01Å; L330-Y416 HydrophobicContact CG-CD1 4.4Å; L330-A419 HydrophobicContact CD1-CB 4.11Å; L330-A419 HydrophobicContact CD2-CB 3.6Å; L330-T420 VanDerWaalsContact CD1-OG1 3.32Å; L330-T420 WeakPolarHBondContact CD1-OG1 3.28Å; L330-L423 HydrophobicContact CD2-CD1 3.58Å; L330-L423 HydrophobicContact CD2-CG 4.4Å; L330-L423 HydrophobicContact CG-CD1 4.07Å |
| 331 | N | 98.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.064 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.7 | -68.3 | -11.9 | 0 | 0 | 0 | 111.3 | Q327 Q328 T333 V334 R335 F389 F398 Y416 | Q327-N331 PolarHBondContact NE2-OD1 2.78Å; Q327-N331 WeakPolarHBondContact O-CB 3.46Å; Q327-N331 PolarHBondContact O-N 3.2Å; Q327-N331 PolarHBondContact O-ND2 3.03Å; Q327-N331 PolarHBondContact O-OD1 3.17Å; Q328-N331 PolarHBondContact O-N 2.78Å; N331-T333 VanDerWaalsContact C-N 3.27Å; N331-T333 PolarHBondContact O-N 2.99Å; N331-V334 PolarHBondContact O-N 3.43Å; N331-R335 PolarHBondContact O-N 3.46Å; N331-F389 HydrophobicContact CB-CD1 3.99Å; N331-F389 HydrophobicContact CB-CD2 3.88Å; N331-F389 HydrophobicContact CB-CE1 3.73Å; N331-F389 HydrophobicContact CB-CE2 3.62Å; N331-F389 HydrophobicContact CB-CG 4.06Å; N331-F389 HydrophobicContact CB-CZ 3.54Å; N331-F398 HydrophobicContact CB-CD1 4.21Å; N331-F398 HydrophobicContact CB-CE1 3.64Å; N331-F398 HydrophobicContact CB-CZ 3.98Å; N331-F398 WeakPolarHBondContact O-CZ 3.31Å; N331-Y416 PolarHBondContact OD1-OH 2.78Å |
| 332 | E | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68 | -30 | 176.8 | -172.9 | 67.4 | 175.6 | 0 | 0 | 111.9 | Q328 V329 R335 T336 F384 D385 P386 R388 F389 | Q328-E332 WeakPolarHBondContact O-CB 3.5Å; Q328-E332 PolarHBondContact O-N 3.4Å; V329-E332 PolarHBondContact O-N 2.77Å; E332-R335 PolarHBondContact O-N 2.77Å; E332-R335 IonicContact OE1-CZ 2.97Å; E332-R335 IonicContact OE1-NE 2.96Å; E332-R335 PolarHBondContact OE1-NE 2.75Å; E332-R335 IonicContact OE1-NH2 2.69Å; E332-R335 PolarHBondContact OE1-NH2 3.04Å; E332-R335 IonicContact OE2-CZ 2.89Å; E332-R335 IonicContact OE2-NE 3.89Å; E332-R335 PolarHBondContact OE2-NE 2.83Å; E332-R335 IonicContact OE2-NH2 2.67Å; E332-T336 WeakPolarHBondContact O-CB 3.15Å; E332-T336 PolarHBondContact O-N 2.95Å; E332-T336 PolarHBondContact O-OG1 3.45Å; E332-F384 HydrophobicContact CB-CD2 4.32Å; E332-F384 HydrophobicContact CB-CE2 3.94Å; E332-F384 HydrophobicContact CG-CD2 3.55Å; E332-F384 HydrophobicContact CG-CE2 3.68Å; E332-F384 HydrophobicContact CG-CG 4.18Å; E332-F384 HydrophobicContact CG-CZ 4.43Å; E332-D385 VanDerWaalsContact CD-O 3.31Å; E332-D385 PolarHBondContact OE1-N 2.83Å; E332-P386 HydrophobicContact CB-CB 4.44Å; E332-P386 HydrophobicContact CB-CG 4.29Å; E332-P386 HydrophobicContact CG-CG 4.43Å; E332-R388 IonicContact OE1-NE 2.87Å; E332-R388 IonicContact OE1-NH2 3.04Å; E332-R388 PolarHBondContact OE1-NH2 3.3Å; E332-R388 IonicContact OE2-NE 3.49Å; E332-F389 HydrophobicContact CB-CD2 4.18Å; E332-F389 HydrophobicContact CB-CE2 3.84Å; E332-F389 VanDerWaalsContact N-CE2 3.33Å; E332-F389 VanDerWaalsContact OE2-CE2 3.29Å; E332-F389 WeakPolarHBondContact OE2-CE2 3.26Å |
| 333 | T | 98.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 171.6 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | L284 W287 A288 F291 V329 L330 N331 R335 T336 A337 | L284-T333 HydrophobicContact CD1-CG2 3.89Å; W287-T333 HydrophobicContact CB-CG2 3.57Å; A288-T333 HydrophobicContact CB-CG2 3.96Å; A288-T333 VanDerWaalsContact N-CG2 3.31Å; F291-T333 HydrophobicContact CD2-CG2 4.06Å; F291-T333 HydrophobicContact CE2-CG2 4.17Å; V329-T333 WeakPolarHBondContact O-CB 3.38Å; V329-T333 PolarHBondContact O-N 3.33Å; V329-T333 PolarHBondContact O-OG1 3.39Å; L330-T333 WeakPolarHBondContact O-CB 3.13Å; L330-T333 PolarHBondContact O-N 3.36Å; N331-T333 VanDerWaalsContact C-N 3.27Å; N331-T333 PolarHBondContact O-N 2.99Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.5Å; T333-T336 PolarHBondContact O-N 3.44Å; T333-A337 WeakPolarHBondContact O-CB 3.46Å; T333-A337 PolarHBondContact O-N 3.24Å |
| 334 | V | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.3 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | L284 L330 N331 K338 L339 F398 F403 L412 Y416 | L284-V334 HydrophobicContact CD1-CG2 3.67Å; L330-V334 PolarHBondContact O-N 2.87Å; N331-V334 PolarHBondContact O-N 3.43Å; V334-K338 WeakPolarHBondContact O-CA 3.42Å; V334-K338 PolarHBondContact O-N 2.96Å; V334-K338 VanDerWaalsContact O-N 3.16Å; V334-L339 HydrophobicContact CB-CB 4.42Å; V334-L339 HydrophobicContact CG1-CB 4.19Å; V334-L339 HydrophobicContact CG2-CB 4.38Å; V334-L339 HydrophobicContact CG2-CD2 3.92Å; V334-L339 PolarHBondContact O-N 2.89Å; V334-F398 HydrophobicContact CB-CZ 3.92Å; V334-F398 HydrophobicContact CG1-CE2 4.23Å; V334-F398 HydrophobicContact CG1-CZ 3.77Å; V334-F403 HydrophobicContact CG1-CB 4.36Å; V334-F403 HydrophobicContact CG1-CD1 3.61Å; V334-F403 HydrophobicContact CG1-CE1 3.98Å; V334-F403 HydrophobicContact CG1-CG 4.03Å; V334-L412 HydrophobicContact CG2-CD1 4.22Å; V334-Y416 HydrophobicContact CG2-CE1 4.06Å; V334-Y416 WeakPolarHBondContact CG2-OH 3.33Å |
| 335 | R | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -54.5 | 178.7 | -167.5 | -160.7 | 67 | 71.9 | 1.3 | 111.7 | N331 E332 T333 K338 L372 W378 P381 R383 F398 | N331-R335 PolarHBondContact O-N 3.46Å; E332-R335 PolarHBondContact O-N 2.77Å; E332-R335 IonicContact OE1-CZ 2.97Å; E332-R335 IonicContact OE1-NE 2.96Å; E332-R335 PolarHBondContact OE1-NE 2.75Å; E332-R335 IonicContact OE1-NH2 2.69Å; E332-R335 PolarHBondContact OE1-NH2 3.04Å; E332-R335 IonicContact OE2-CZ 2.89Å; E332-R335 IonicContact OE2-NE 3.89Å; E332-R335 PolarHBondContact OE2-NE 2.83Å; E332-R335 IonicContact OE2-NH2 2.67Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.5Å; R335-K338 PolarHBondContact O-N 2.8Å; R335-K338 VanDerWaalsContact O-N 3.14Å; R335-L372 HydrophobicContact CB-CD2 4.25Å; R335-L372 HydrophobicContact CG-CB 4.11Å; R335-L372 HydrophobicContact CG-CD2 3.66Å; R335-L372 HydrophobicContact CG-CG 4.4Å; R335-L372 PolarHBondContact NH1-O 3.28Å; R335-W378 VanDerWaalsContact CD-CE3 3.43Å; R335-W378 HydrophobicContact CG-CD2 4.47Å; R335-P381 VanDerWaalsContact CZ-O 3.25Å; R335-P381 PolarHBondContact NH1-O 2.93Å; R335-P381 PolarHBondContact NH2-O 3.4Å; R335-R383 PolarHBondContact NH2-O 3.47Å; R335-R383 VanDerWaalsContact NH2-O 3.11Å; R335-F398 HydrophobicContact CB-CE2 4.12Å |
| 336 | T | 96.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 18 Ų | 18 | 14% | 0.135 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | -173.1 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | F291 E332 T333 K338 F384 | F291-T336 HydrophobicContact CE1-CG2 3.82Å; F291-T336 HydrophobicContact CE2-CG2 4.19Å; F291-T336 HydrophobicContact CZ-CG2 3.57Å; E332-T336 WeakPolarHBondContact O-CB 3.15Å; E332-T336 PolarHBondContact O-N 2.95Å; E332-T336 PolarHBondContact O-OG1 3.45Å; T333-T336 PolarHBondContact O-N 3.44Å; T336-K338 PolarHBondContact O-N 2.89Å; T336-F384 HydrophobicContact CG2-CB 4.44Å; T336-F384 HydrophobicContact CG2-CD2 4.36Å |
| 337 | A | 95 | Very high | 91.2 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W287 F291 T333 L339 S448 | W287-A337 HydrophobicContact CB-CB 3.86Å; W287-A337 HydrophobicContact CD2-CB 3.72Å; W287-A337 HydrophobicContact CE3-CB 4.41Å; W287-A337 HydrophobicContact CG-CB 3.42Å; W287-A337 VanDerWaalsContact CG-CB 3.42Å; F291-A337 HydrophobicContact CE2-CB 4.02Å; F291-A337 HydrophobicContact CZ-CB 4.18Å; T333-A337 WeakPolarHBondContact O-CB 3.46Å; T333-A337 PolarHBondContact O-N 3.24Å; A337-L339 VanDerWaalsContact C-N 3.28Å; A337-L339 PolarHBondContact O-N 2.85Å; A337-S448 WeakPolarHBondContact O-CB 3.23Å; A337-S448 PolarHBondContact O-OG 3.06Å |
| 338 | K | 94.8 | Very high | 90 | Very high | 20 Ų | 20 | 17.2 Ų | 17.2 | 9% | 0.087 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 52.7 | -169.5 | -58.8 | 169.1 | -78.7 | -176.4 | 0 | 110.2 | H55 V334 R335 T336 T340 P341 Q373 S448 | H55-K338 WeakPolarHBondContact NE2-CD 3.31Å; H55-K338 PolarHBondContact NE2-NZ 3.03Å; V334-K338 WeakPolarHBondContact O-CA 3.42Å; V334-K338 PolarHBondContact O-N 2.96Å; V334-K338 VanDerWaalsContact O-N 3.16Å; R335-K338 PolarHBondContact O-N 2.8Å; R335-K338 VanDerWaalsContact O-N 3.14Å; T336-K338 PolarHBondContact O-N 2.89Å; K338-T340 PolarHBondContact O-N 3.3Å; K338-T340 VanDerWaalsContact O-N 3.07Å; K338-P341 HydrophobicContact CB-CB 4.34Å; K338-P341 WeakPolarHBondContact O-CD 3.49Å; K338-Q373 HydrophobicContact CD-CG 4.07Å; K338-Q373 HydrophobicContact CG-CG 4.47Å; K338-S448 WeakPolarHBondContact O-CB 3.4Å; K338-S448 PolarHBondContact O-OG 3.25Å |
| 339 | L | 93 | Very high | 89.1 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -52.5 | -41.2 | -162.9 | -176.5 | 67.2 | 0 | 0 | 0 | 112.6 | I280 N283 L284 V334 A337 L412 V447 S448 | I280-L339 HydrophobicContact CG2-CD2 4.36Å; N283-L339 HydrophobicContact CB-CD1 3.77Å; L284-L339 HydrophobicContact CB-CD2 3.98Å; L284-L339 HydrophobicContact CD1-CD2 4.26Å; V334-L339 HydrophobicContact CB-CB 4.42Å; V334-L339 HydrophobicContact CG1-CB 4.19Å; V334-L339 HydrophobicContact CG2-CB 4.38Å; V334-L339 HydrophobicContact CG2-CD2 3.92Å; V334-L339 PolarHBondContact O-N 2.89Å; A337-L339 VanDerWaalsContact C-N 3.28Å; A337-L339 PolarHBondContact O-N 2.85Å; L339-L412 HydrophobicContact CD2-CD1 4.04Å; L339-V447 HydrophobicContact CD1-CG1 3.76Å; L339-V447 HydrophobicContact CG-CG1 4.22Å; L339-V447 CarbonylContact O-C 3.47Å; L339-V447 VanDerWaalsContact O-CA 3.22Å; L339-V447 WeakPolarHBondContact O-CA 3.35Å; L339-V447 WeakPolarHBondContact O-CG1 3.32Å; L339-S448 PolarHBondContact O-N 3.41Å |
| 340 | T | 88.9 | Confident | 88.4 | Confident | 33 Ų | 33 | 26.3 Ų | 26.3 | 20% | 0.202 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -123.7 | 94.6 | 168.4 | 63.2 | 0 | 0 | 0 | 0 | 108.5 | K338 V342 F403 | K338-T340 PolarHBondContact O-N 3.3Å; K338-T340 VanDerWaalsContact O-N 3.07Å; T340-V342 PolarHBondContact O-N 3.47Å; T340-F403 VanDerWaalsContact OG1-CE1 3.31Å; T340-F403 WeakPolarHBondContact OG1-CE1 3.07Å |
| 341 | P | 89.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | trans | -77 | -9.9 | -166.2 | 29.5 | -34.3 | 0 | 0 | 0 | 113.6 | H55 K338 L368 G369 E445 | H55-P341 HydrophobicContact CB-CB 4.09Å; H55-P341 HydrophobicContact CB-CG 4.27Å; K338-P341 HydrophobicContact CB-CB 4.34Å; K338-P341 WeakPolarHBondContact O-CD 3.49Å; P341-L368 CarbonylContact O-C 3.35Å; P341-L368 PolarHBondContact O-N 3.42Å; P341-L368 VanDerWaalsContact O-N 3.07Å; P341-G369 PolarHBondContact O-N 3.3Å; P341-E445 WeakPolarHBondContact CG-O 3.14Å | ||
| 342 | V | 84.8 | Confident | 87.3 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | trans | -138.2 | 138.1 | -176.4 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | F11 L54 L58 T340 I365 | F11-V342 HydrophobicContact CE1-CB 4.49Å; F11-V342 HydrophobicContact CE1-CG1 3.64Å; F11-V342 HydrophobicContact CZ-CB 4.18Å; F11-V342 HydrophobicContact CZ-CG1 3.63Å; L54-V342 HydrophobicContact CD2-CG1 4Å; L54-V342 HydrophobicContact CD2-CG2 4.17Å; L54-V342 HydrophobicContact CG-CG2 4.3Å; L58-V342 HydrophobicContact CD1-CG1 4.41Å; L58-V342 HydrophobicContact CD1-CG2 3.91Å; T340-V342 PolarHBondContact O-N 3.47Å; V342-I365 HydrophobicContact CG1-CD1 4.49Å; V342-I365 HydrophobicContact CG1-CG2 3.69Å | ||
| 343 | A | 81.4 | Confident | 86.9 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I365 Y366 L368 | A343-I365 CarbonylContact O-C 3.49Å; A343-Y366 HydrophobicContact CB-CD2 4.48Å; A343-Y366 PolarHBondContact N-O 2.63Å; A343-Y366 VanDerWaalsContact N-O 3.09Å; A343-Y366 PolarHBondContact O-N 3.45Å; A343-L368 HydrophobicContact CB-CD1 3.64Å; A343-L368 HydrophobicContact CB-CG 4.25Å |
| 344 | A | 78.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L15 S99 L363 V364 I365 | L15-A344 HydrophobicContact CD1-CB 3.38Å; L15-A344 HydrophobicContact CD2-CB 3.44Å; L15-A344 VanDerWaalsContact CD2-CB 3.44Å; L15-A344 HydrophobicContact CG-CB 4.02Å; S99-A344 WeakPolarHBondContact CB-O 3.09Å; S99-A344 PolarHBondContact OG-O 3Å; A344-L363 HydrophobicContact CB-CD1 4.37Å; A344-V364 CarbonylContact C-O 3.58Å; A344-V364 WeakPolarHBondContact CA-O 3.36Å; A344-I365 HydrophobicContact CB-CD1 3.81Å |
| 345 | R | 76.9 | Confident | 86.2 | Confident | 98 Ų | 98 | 44.1 Ų | 44.1 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.2 | 173 | -65.1 | -64.2 | -178.6 | -95 | 2.3 | 108.9 | S99 V364 Y366 | S99-R345 PolarHBondContact OG-NH1 2.94Å; R345-V364 PolarHBondContact N-O 2.84Å; R345-V364 PolarHBondContact O-N 3.45Å; R345-Y366 HydrophobicContact CG-CE1 4.32Å; R345-Y366 HydrophobicContact CG-CE2 4.06Å |
| 346 | L | 75.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.8 | 168.7 | -174.4 | 62.2 | 0 | 0 | 0 | 109 | V19 Y23 A348 E361 | V19-L346 HydrophobicContact CB-CD1 4.46Å; V19-L346 HydrophobicContact CG1-CD1 3.36Å; V19-L346 HydrophobicContact CG1-CD2 4.1Å; V19-L346 HydrophobicContact CG1-CG 4.33Å; V19-L346 HydrophobicContact CG2-CD1 4.2Å; V19-L346 HydrophobicContact CG2-CD2 4.36Å; Y23-L346 HydrophobicContact CD2-CD2 3.45Å; Y23-L346 VanDerWaalsContact CD2-CD2 3.45Å; Y23-L346 HydrophobicContact CE2-CD2 3.5Å; Y23-L346 VanDerWaalsContact CE2-CD2 3.5Å; Y23-L346 HydrophobicContact CG-CD2 4.32Å; L346-A348 PolarHBondContact O-N 3.33Å; L346-A348 VanDerWaalsContact O-N 3.11Å; L346-E361 WeakPolarHBondContact CD1-O 3.39Å |
| 347 | Q | 77.3 | Confident | 85.5 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | -69.5 | 107.8 | 179.2 | -174.3 | 66.1 | -9.6 | 0 | 0 | 110.3 | H90 V349 I358 P359 K360 E361 T362 V364 | H90-Q347 PolarHBondContact NE2-OE1 3.08Å; Q347-V349 WeakPolarHBondContact CG-O 3.37Å; Q347-V349 PolarHBondContact NE2-O 3.34Å; Q347-I358 HydrophobicContact CB-CG2 4.22Å; Q347-I358 HydrophobicContact CG-CG2 3.91Å; Q347-P359 WeakPolarHBondContact CB-O 3.4Å; Q347-P359 VanDerWaalsContact CG-O 3.24Å; Q347-P359 WeakPolarHBondContact CG-O 3.24Å; Q347-K360 CarbonylContact O-C 3.58Å; Q347-E361 WeakPolarHBondContact O-CA 3.43Å; Q347-E361 PolarHBondContact O-N 2.98Å; Q347-T362 VanDerWaalsContact CB-O 3.31Å; Q347-T362 WeakPolarHBondContact CB-O 3.39Å; Q347-T362 PolarHBondContact N-O 3.15Å; Q347-V364 HydrophobicContact CB-CG2 4.43Å | ||
| 348 | A | 72.9 | Confident | 85.1 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -81.2 | -27.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H95 L346 K360 | H95-A348 WeakPolarHBondContact CE1-CB 3.44Å; H95-A348 WeakPolarHBondContact NE2-CB 3.47Å; L346-A348 PolarHBondContact O-N 3.33Å; L346-A348 VanDerWaalsContact O-N 3.11Å; A348-K360 WeakPolarHBondContact O-CE 3.48Å; A348-K360 WeakPolarHBondContact O-CG 3.24Å | ||
| 349 | V | 79.6 | Confident | 84.6 | Confident | 95 Ų | 95 | 45 Ų | 45 | 58% | 0.576 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -138.8 | 145.3 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | Q347 G351 | Q347-V349 WeakPolarHBondContact CG-O 3.37Å; Q347-V349 PolarHBondContact NE2-O 3.34Å; V349-G351 PolarHBondContact O-N 3.24Å |
| 350 | E | 85.5 | Confident | 84 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | trans | -54.1 | 134.6 | 174 | -176.3 | 175 | 103.2 | 0 | 0 | 111.2 | V357 I358 | E350-V357 HydrophobicContact CG-CG1 3.57Å; E350-I358 WeakPolarHBondContact CA-O 3.37Å | ||
| 351 | G | 85.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V349 V357 I358 | V349-G351 PolarHBondContact O-N 3.24Å; G351-V357 WeakPolarHBondContact O-CA 3.37Å; G351-I358 PolarHBondContact N-O 3.38Å; G351-I358 PolarHBondContact O-N 2.89Å |
| 352 | K | 88.1 | Confident | 82.9 | Confident | 154 Ų | 154 | 49.6 Ų | 49.6 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.9 | 176.9 | -68.2 | -174.3 | 178.7 | -177.1 | 0 | 111 | H356 V357 | K352-H356 VanDerWaalsContact CA-O 3.27Å; K352-H356 WeakPolarHBondContact CA-O 3.49Å; K352-V357 HydrophobicContact CG-CG2 4.24Å |
| 353 | V | 90.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.3 | 168 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | V68 L81 Q86 H90 Q355 H356 I358 | V68-V353 HydrophobicContact CG2-CG1 3.93Å; L81-V353 HydrophobicContact CD2-CG1 4.01Å; Q86-V353 HydrophobicContact CB-CG1 3.88Å; Q86-V353 HydrophobicContact CG-CG1 3.79Å; H90-V353 HydrophobicContact CB-CG2 3.78Å; V353-Q355 PolarHBondContact O-N 3.47Å; V353-H356 PolarHBondContact N-O 3.41Å; V353-H356 WeakPolarHBondContact O-CA 3.47Å; V353-H356 WeakPolarHBondContact O-CB 3.33Å; V353-H356 PolarHBondContact O-N 2.88Å; V353-I358 HydrophobicContact CB-CD1 3.98Å; V353-I358 HydrophobicContact CG2-CD1 3.48Å; V353-I358 VanDerWaalsContact CG2-CD1 3.48Å; V353-I358 HydrophobicContact CG2-CG1 4.33Å |
| 354 | D | 90.8 | Very high | 82.8 | Confident | 61 Ų | 61 | 48 Ų | 48 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | -126.1 | -164.4 | -57.3 | -37.1 | 0 | 0 | 0 | 110.8 | V68 Q86 Q89 H356 | V68-D354 WeakPolarHBondContact CG2-OD2 3.47Å; Q86-D354 VanDerWaalsContact CG-OD2 3.3Å; Q86-D354 WeakPolarHBondContact CG-OD2 3.49Å; Q86-D354 VanDerWaalsContact NE2-CG 3.29Å; Q86-D354 PolarHBondContact NE2-OD1 3.04Å; Q86-D354 PolarHBondContact NE2-OD2 2.95Å; Q89-D354 PolarHBondContact NE2-OD1 3.17Å; Q89-D354 PolarHBondContact OE1-OD1 2.92Å; D354-H356 VanDerWaalsContact C-N 3.34Å |
| 355 | Q | 89.1 | Confident | 83.3 | Confident | 149 Ų | 149 | 47.9 Ų | 47.9 | 70% | 0.696 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.1 | 174 | 67.8 | -76.4 | -10.5 | 0 | 0 | 114.1 | V353 | V353-Q355 PolarHBondContact O-N 3.47Š|
| 356 | H | 90.2 | Very high | 83.9 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 7% | 0.069 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | -173 | -53.5 | 152.3 | 0 | 0 | 0 | 112 | G31 V32 P33 K352 V353 D354 | G31-H356 PolarHBondContact O-CD2 3.28Å; G31-H356 PolarHBondContact O-NE2 2.88Å; G31-H356 VanDerWaalsContact O-NE2 3.09Å; V32-H356 HydrophobicContact CG2-CB 3.67Å; P33-H356 WeakPolarHBondContact CD-CE1 3.4Å; K352-H356 VanDerWaalsContact CA-O 3.27Å; K352-H356 WeakPolarHBondContact CA-O 3.49Å; V353-H356 PolarHBondContact N-O 3.41Å; V353-H356 WeakPolarHBondContact O-CA 3.47Å; V353-H356 WeakPolarHBondContact O-CB 3.33Å; V353-H356 PolarHBondContact O-N 2.88Å; D354-H356 VanDerWaalsContact C-N 3.34Å |
| 357 | V | 88.1 | Confident | 84.7 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | E350 G351 K352 P359 | E350-V357 HydrophobicContact CG-CG1 3.57Å; G351-V357 WeakPolarHBondContact O-CA 3.37Å; K352-V357 HydrophobicContact CG-CG2 4.24Å; V357-P359 WeakPolarHBondContact O-CD 3.45Å |
| 358 | I | 87.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 107.5 | 173.8 | -54.5 | -171.5 | 0 | 0 | 0 | 108.1 | V79 Q347 E350 G351 V353 T362 V364 | V79-I358 HydrophobicContact CG1-CD1 3.97Å; Q347-I358 HydrophobicContact CB-CG2 4.22Å; Q347-I358 HydrophobicContact CG-CG2 3.91Å; E350-I358 WeakPolarHBondContact CA-O 3.37Å; G351-I358 PolarHBondContact N-O 3.38Å; G351-I358 PolarHBondContact O-N 2.89Å; V353-I358 HydrophobicContact CB-CD1 3.98Å; V353-I358 HydrophobicContact CG2-CD1 3.48Å; V353-I358 VanDerWaalsContact CG2-CD1 3.48Å; V353-I358 HydrophobicContact CG2-CG1 4.33Å; I358-T362 HydrophobicContact CG2-CG2 3.92Å; I358-V364 HydrophobicContact CG2-CG2 3.94Å |
| 359 | P | 83.4 | Confident | 86.5 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | trans | -65.7 | 156.6 | -177.7 | -25.9 | 38.9 | 0 | 0 | 0 | 112.6 | R27 A29 Q347 V357 T362 | R27-P359 HydrophobicContact CB-CB 4.41Å; R27-P359 VanDerWaalsContact O-CG 3.31Å; R27-P359 WeakPolarHBondContact O-CG 3.42Å; A29-P359 HydrophobicContact CB-CG 4.37Å; Q347-P359 WeakPolarHBondContact CB-O 3.4Å; Q347-P359 VanDerWaalsContact CG-O 3.24Å; Q347-P359 WeakPolarHBondContact CG-O 3.24Å; V357-P359 WeakPolarHBondContact O-CD 3.45Å; P359-T362 WeakPolarHBondContact CD-OG1 3.42Å; P359-T362 VanDerWaalsContact O-CB 3.23Å; P359-T362 WeakPolarHBondContact O-CB 3.2Å; P359-T362 PolarHBondContact O-N 3.37Å; P359-T362 PolarHBondContact O-OG1 3.21Å | ||
| 360 | K | 81.1 | Confident | 87.3 | Confident | 100 Ų | 100 | 36.2 Ų | 36.2 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 144.3 | 166.9 | -156.2 | -152.6 | 173.4 | -150.3 | 0 | 110.6 | Q347 A348 T362 | Q347-K360 CarbonylContact O-C 3.58Å; A348-K360 WeakPolarHBondContact O-CE 3.48Å; A348-K360 WeakPolarHBondContact O-CG 3.24Å; K360-T362 PolarHBondContact O-N 3.24Å |
| 361 | E | 75.2 | Confident | 87.8 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 12.8 | 178 | -53.5 | 172.1 | -174.9 | 0 | 0 | 114 | Y23 S25 L346 Q347 | Y23-E361 HydrophobicContact CD1-CG 3.97Å; Y23-E361 WeakPolarHBondContact CD1-OE1 3.49Å; Y23-E361 HydrophobicContact CG-CG 4.08Å; S25-E361 VanDerWaalsContact O-OE2 3.05Å; L346-E361 WeakPolarHBondContact CD1-O 3.39Å; Q347-E361 WeakPolarHBondContact O-CA 3.43Å; Q347-E361 PolarHBondContact O-N 2.98Å |
| 362 | T | 78.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | trans | -73.6 | 133.4 | 170.2 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | V79 Q347 I358 P359 K360 V364 | V79-T362 HydrophobicContact CB-CG2 4.45Å; V79-T362 HydrophobicContact CG2-CG2 3.92Å; Q347-T362 VanDerWaalsContact CB-O 3.31Å; Q347-T362 WeakPolarHBondContact CB-O 3.39Å; Q347-T362 PolarHBondContact N-O 3.15Å; I358-T362 HydrophobicContact CG2-CG2 3.92Å; P359-T362 WeakPolarHBondContact CD-OG1 3.42Å; P359-T362 VanDerWaalsContact O-CB 3.23Å; P359-T362 WeakPolarHBondContact O-CB 3.2Å; P359-T362 PolarHBondContact O-N 3.37Å; P359-T362 PolarHBondContact O-OG1 3.21Å; K360-T362 PolarHBondContact O-N 3.24Å; T362-V364 HydrophobicContact CG2-CG2 4.41Å | ||
| 363 | L | 79.6 | Confident | 88.6 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.9 | 169.9 | -177.3 | 65.8 | 0 | 0 | 0 | 109.3 | V12 L15 V16 V78 V79 A344 I365 | V12-L363 HydrophobicContact CG1-CD2 4.47Å; L15-L363 HydrophobicContact CD1-CD1 4.18Å; L15-L363 HydrophobicContact CD2-CD1 3.75Å; L15-L363 HydrophobicContact CD2-CD2 3.47Å; L15-L363 VanDerWaalsContact CD2-CD2 3.47Å; L15-L363 HydrophobicContact CD2-CG 4.07Å; L15-L363 HydrophobicContact CG-CD1 3.75Å; L15-L363 HydrophobicContact CG-CD2 3.84Å; L15-L363 HydrophobicContact CG-CG 4.42Å; V16-L363 HydrophobicContact CG2-CD2 3.56Å; V78-L363 WeakPolarHBondContact CA-O 3.11Å; V78-L363 HydrophobicContact CG1-CB 4.45Å; V78-L363 HydrophobicContact CG1-CD2 4.27Å; V78-L363 HydrophobicContact CG1-CG 4.29Å; V78-L363 HydrophobicContact CG2-CB 4.34Å; V78-L363 HydrophobicContact CG2-CD2 4.04Å; V79-L363 PolarHBondContact N-O 3.4Å; A344-L363 HydrophobicContact CB-CD1 4.37Å; L363-I365 HydrophobicContact CD2-CD1 4.36Å; L363-I365 HydrophobicContact CG-CD1 4.4Å |
| 364 | V | 85.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.1 | 179.4 | -174 | 0 | 0 | 0 | 0 | 109.5 | V79 L81 H90 A344 R345 Q347 I358 T362 Y366 | V79-V364 CarbonylContact O-C 3.57Å; V79-V364 VanDerWaalsContact O-CA 3.25Å; V79-V364 WeakPolarHBondContact O-CA 3.29Å; L81-V364 HydrophobicContact CD1-CG1 3.85Å; L81-V364 HydrophobicContact CG-CG1 3.93Å; H90-V364 WeakPolarHBondContact NE2-CG2 3.45Å; A344-V364 CarbonylContact C-O 3.58Å; A344-V364 WeakPolarHBondContact CA-O 3.36Å; R345-V364 PolarHBondContact N-O 2.84Å; R345-V364 PolarHBondContact O-N 3.45Å; Q347-V364 HydrophobicContact CB-CG2 4.43Å; I358-V364 HydrophobicContact CG2-CG2 3.94Å; T362-V364 HydrophobicContact CG2-CG2 4.41Å; V364-Y366 HydrophobicContact CG1-CD1 4.19Å; V364-Y366 HydrophobicContact CG1-CE1 3.92Å |
| 365 | I | 87.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.4 | 178.2 | -64.3 | -62.2 | 0 | 0 | 0 | 109.6 | F11 L15 L58 F71 V78 V79 S80 L81 V342 A343 A344 L363 | F11-I365 HydrophobicContact CE1-CD1 4.1Å; L15-I365 HydrophobicContact CD2-CD1 3.54Å; L58-I365 HydrophobicContact CD1-CG2 3.67Å; L58-I365 HydrophobicContact CD2-CG2 4.31Å; F71-I365 HydrophobicContact CZ-CG1 4.38Å; V78-I365 HydrophobicContact CG1-CB 4.37Å; V78-I365 HydrophobicContact CG1-CG1 3.55Å; V79-I365 PolarHBondContact O-N 2.81Å; S80-I365 CarbonylContact C-O 3.49Å; S80-I365 WeakPolarHBondContact CA-O 3.3Å; S80-I365 PolarHBondContact OG-O 2.91Å; S80-I365 VanDerWaalsContact OG-O 3.05Å; L81-I365 PolarHBondContact N-O 3.46Å; V342-I365 HydrophobicContact CG1-CD1 4.49Å; V342-I365 HydrophobicContact CG1-CG2 3.69Å; A343-I365 CarbonylContact O-C 3.49Å; A344-I365 HydrophobicContact CB-CD1 3.81Å; L363-I365 HydrophobicContact CD2-CD1 4.36Å; L363-I365 HydrophobicContact CG-CD1 4.4Å |
| 366 | Y | 90.6 | Very high | 88.9 | Confident | 15 Ų | 15 | 26.2 Ų | 26.2 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.8 | 167.4 | -64.2 | -3.5 | 0 | 0 | 0 | 108 | L81 L87 H90 I91 A343 R345 V364 L368 | L81-Y366 HydrophobicContact CD1-CD1 4.26Å; L81-Y366 HydrophobicContact CD1-CE1 3.97Å; L87-Y366 HydrophobicContact CD1-CD1 4.42Å; L87-Y366 HydrophobicContact CD2-CD2 3.9Å; L87-Y366 HydrophobicContact CD2-CE2 4.44Å; L87-Y366 HydrophobicContact CD2-CG 3.94Å; L87-Y366 HydrophobicContact CG-CD1 4.11Å; L87-Y366 HydrophobicContact CG-CD2 4.21Å; L87-Y366 HydrophobicContact CG-CE1 4.39Å; L87-Y366 HydrophobicContact CG-CE2 4.45Å; L87-Y366 HydrophobicContact CG-CG 4.03Å; H90-Y366 AromaticContact ND1-CE1 3.41Å; H90-Y366 WeakPolarHBondContact ND1-CE1 3.34Å; H90-Y366 AromaticContact ND1-CZ 3.52Å; H90-Y366 PolarHBondContact ND1-OH 2.78Å; I91-Y366 HydrophobicContact CG1-CE2 4.41Å; A343-Y366 HydrophobicContact CB-CD2 4.48Å; A343-Y366 PolarHBondContact N-O 2.63Å; A343-Y366 VanDerWaalsContact N-O 3.09Å; A343-Y366 PolarHBondContact O-N 3.45Å; R345-Y366 HydrophobicContact CG-CE1 4.32Å; R345-Y366 HydrophobicContact CG-CE2 4.06Å; V364-Y366 HydrophobicContact CG1-CD1 4.19Å; V364-Y366 HydrophobicContact CG1-CE1 3.92Å; Y366-L368 PolarHBondContact O-N 3.05Å |
| 367 | A | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -78.1 | 64.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | L58 L81 G369 V370 V371 | L58-A367 HydrophobicContact CB-CB 4.07Å; L58-A367 HydrophobicContact CD1-CB 4Å; L58-A367 HydrophobicContact CG-CB 4.47Å; L81-A367 PolarHBondContact O-N 2.78Å; A367-G369 VanDerWaalsContact C-N 3.25Å; A367-G369 PolarHBondContact O-N 3.23Å; A367-V370 HydrophobicContact CB-CB 4Å; A367-V370 HydrophobicContact CB-CG2 3.85Å; A367-V370 WeakPolarHBondContact O-CA 3.49Å; A367-V370 VanDerWaalsContact O-CB 3.32Å; A367-V370 WeakPolarHBondContact O-CB 3.46Å; A367-V370 PolarHBondContact O-N 2.86Å; A367-V371 WeakPolarHBondContact O-CG2 3.43Å; A367-V371 PolarHBondContact O-N 3.21Å | ||
| 368 | L | 92.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.7 | -38.8 | -172.1 | -62.1 | 178.4 | 0 | 0 | 0 | 112.4 | L87 P341 A343 Y366 V370 V371 L372 L401 F403 | L87-L368 HydrophobicContact CD2-CD2 4.07Å; P341-L368 CarbonylContact O-C 3.35Å; P341-L368 PolarHBondContact O-N 3.42Å; P341-L368 VanDerWaalsContact O-N 3.07Å; A343-L368 HydrophobicContact CB-CD1 3.64Å; A343-L368 HydrophobicContact CB-CG 4.25Å; Y366-L368 PolarHBondContact O-N 3.05Å; L368-V370 VanDerWaalsContact C-N 3.3Å; L368-V370 PolarHBondContact O-N 2.8Å; L368-V371 CarbonylContact O-C 3.36Å; L368-V371 PolarHBondContact O-N 3.04Å; L368-L372 WeakPolarHBondContact O-CB 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.46Å; L368-L401 HydrophobicContact CD2-CB 4.32Å; L368-L401 HydrophobicContact CD2-CD2 3.86Å; L368-F403 HydrophobicContact CB-CZ 4.13Å; L368-F403 HydrophobicContact CD1-CE1 4.4Å; L368-F403 HydrophobicContact CD1-CE2 4.34Å; L368-F403 HydrophobicContact CD1-CZ 3.71Å; L368-F403 HydrophobicContact CG-CZ 4.39Å |
| 369 | G | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P341 A367 Q373 | P341-G369 PolarHBondContact O-N 3.3Å; A367-G369 VanDerWaalsContact C-N 3.25Å; A367-G369 PolarHBondContact O-N 3.23Å; G369-Q373 PolarHBondContact O-N 3.45Å |
| 370 | V | 96.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 31.7 Ų | 31.7 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | L58 V59 H62 A367 L368 L372 Q373 D374 | L58-V370 HydrophobicContact CB-CG2 4.44Å; V59-V370 HydrophobicContact CB-CG2 4.45Å; V59-V370 HydrophobicContact CG2-CG2 3.86Å; H62-V370 HydrophobicContact CB-CG1 4.04Å; A367-V370 HydrophobicContact CB-CB 4Å; A367-V370 HydrophobicContact CB-CG2 3.85Å; A367-V370 WeakPolarHBondContact O-CA 3.49Å; A367-V370 VanDerWaalsContact O-CB 3.32Å; A367-V370 WeakPolarHBondContact O-CB 3.46Å; A367-V370 PolarHBondContact O-N 2.86Å; L368-V370 VanDerWaalsContact C-N 3.3Å; L368-V370 PolarHBondContact O-N 2.8Å; V370-L372 VanDerWaalsContact C-N 3.31Å; V370-L372 PolarHBondContact O-N 3.48Å; V370-Q373 CarbonylContact O-C 3.33Å; V370-Q373 PolarHBondContact O-N 3.06Å; V370-Q373 VanDerWaalsContact O-N 3.09Å; V370-D374 PolarHBondContact O-N 3.37Å |
| 371 | V | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -36.5 | -179.7 | -177 | 0 | 0 | 0 | 0 | 112.5 | G82 V84 L87 A367 L368 Q373 D374 W378 L401 | G82-V371 VanDerWaalsContact C-CG2 3.46Å; V84-V371 HydrophobicContact CG2-CG1 3.46Å; V84-V371 VanDerWaalsContact CG2-CG1 3.46Å; L87-V371 HydrophobicContact CD1-CG2 4.31Å; A367-V371 WeakPolarHBondContact O-CG2 3.43Å; A367-V371 PolarHBondContact O-N 3.21Å; L368-V371 CarbonylContact O-C 3.36Å; L368-V371 PolarHBondContact O-N 3.04Å; V371-Q373 PolarHBondContact O-N 3.27Å; V371-D374 WeakPolarHBondContact O-CB 3.25Å; V371-D374 PolarHBondContact O-N 2.82Å; V371-W378 PolarHBondContact O-NE1 3.39Å; V371-L401 HydrophobicContact CG1-CD1 3.9Å; V371-L401 HydrophobicContact CG1-CD2 3.9Å |
| 372 | L | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15 | 179.5 | -69.1 | 168.1 | 0 | 0 | 0 | 113.1 | R335 L368 V370 W378 F398 L401 F403 | R335-L372 HydrophobicContact CB-CD2 4.25Å; R335-L372 HydrophobicContact CG-CB 4.11Å; R335-L372 HydrophobicContact CG-CD2 3.66Å; R335-L372 HydrophobicContact CG-CG 4.4Å; R335-L372 PolarHBondContact NH1-O 3.28Å; L368-L372 WeakPolarHBondContact O-CB 3.31Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.46Å; V370-L372 VanDerWaalsContact C-N 3.31Å; V370-L372 PolarHBondContact O-N 3.48Å; L372-W378 HydrophobicContact CD2-CZ2 4.12Å; L372-F398 HydrophobicContact CD2-CD2 4.36Å; L372-F398 HydrophobicContact CD2-CE2 4.27Å; L372-L401 HydrophobicContact CD2-CD1 3.99Å; L372-F403 HydrophobicContact CD1-CE2 3.82Å; L372-F403 HydrophobicContact CD1-CZ 3.83Å; L372-F403 HydrophobicContact CD2-CD2 4.18Å; L372-F403 HydrophobicContact CD2-CE2 3.76Å; L372-F403 HydrophobicContact CG-CE2 4.11Å |
| 373 | Q | 93.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 0.8 | 177.2 | -65.3 | -169.8 | -24.2 | 0 | 0 | 113.5 | K338 G369 V370 V371 A375 P381 Y382 | K338-Q373 HydrophobicContact CD-CG 4.07Å; K338-Q373 HydrophobicContact CG-CG 4.47Å; G369-Q373 PolarHBondContact O-N 3.45Å; V370-Q373 CarbonylContact O-C 3.33Å; V370-Q373 PolarHBondContact O-N 3.06Å; V370-Q373 VanDerWaalsContact O-N 3.09Å; V371-Q373 PolarHBondContact O-N 3.27Å; Q373-A375 PolarHBondContact O-N 3.08Å; Q373-P381 WeakPolarHBondContact O-CB 3.28Å; Q373-P381 WeakPolarHBondContact O-CG 2.97Å; Q373-Y382 VanDerWaalsContact CD-CE1 3.46Å; Q373-Y382 HydrophobicContact CG-CE1 4.25Å |
| 374 | D | 93.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | trans | -63.7 | 116.3 | 175.8 | 173.2 | 23 | 0 | 0 | 0 | 110.9 | V370 V371 D376 T377 W378 | V370-D374 PolarHBondContact O-N 3.37Å; V371-D374 WeakPolarHBondContact O-CB 3.25Å; V371-D374 PolarHBondContact O-N 2.82Å; D374-D376 PolarHBondContact O-N 3Å; D374-D376 PolarHBondContact OD1-N 3.38Å; D374-D376 VanDerWaalsContact OD1-N 3.07Å; D374-T377 PolarHBondContact O-N 3.13Å; D374-T377 VanDerWaalsContact O-N 3.15Å; D374-T377 PolarHBondContact OD2-OG1 3.31Å; D374-W378 PolarHBondContact O-N 3.39Å | ||
| 375 | A | 92.7 | Very high | 93.5 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 55% | 0.554 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q373 T377 P381 | Q373-A375 PolarHBondContact O-N 3.08Å; A375-T377 VanDerWaalsContact C-N 3.3Å; A375-P381 HydrophobicContact CB-CG 4.36Å |
| 376 | D | 90.4 | Very high | 94 | Very high | 158 Ų | 158 | 44.4 Ų | 44.4 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -28.2 | 175.2 | -69 | -20.6 | 0 | 0 | 0 | 111.3 | D374 | D374-D376 PolarHBondContact O-N 3Å; D374-D376 PolarHBondContact OD1-N 3.38Å; D374-D376 VanDerWaalsContact OD1-N 3.07Å |
| 377 | T | 90.8 | Very high | 94.3 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 27% | 0.27 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -37.8 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | V84 D374 A375 | V84-T377 HydrophobicContact CG2-CG2 3.65Å; D374-T377 PolarHBondContact O-N 3.13Å; D374-T377 VanDerWaalsContact O-N 3.15Å; D374-T377 PolarHBondContact OD2-OG1 3.31Å; A375-T377 VanDerWaalsContact C-N 3.3Å |
| 378 | W | 94.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -127.9 | 109.1 | -172.1 | -49.1 | 96.8 | 0 | 0 | 0 | 111 | R335 V371 L372 D374 A380 P381 F389 A394 F398 L401 | R335-W378 VanDerWaalsContact CD-CE3 3.43Å; R335-W378 HydrophobicContact CG-CD2 4.47Å; V371-W378 PolarHBondContact O-NE1 3.39Å; L372-W378 HydrophobicContact CD2-CZ2 4.12Å; D374-W378 PolarHBondContact O-N 3.39Å; W378-A380 PolarHBondContact O-N 3.36Å; W378-P381 HydrophobicContact CB-CB 4.21Å; W378-P381 VanDerWaalsContact O-CD 3.3Å; W378-P381 WeakPolarHBondContact O-CD 3.46Å; W378-F389 HydrophobicContact CZ3-CE1 4.28Å; W378-F389 HydrophobicContact CZ3-CZ 4.15Å; W378-A394 HydrophobicContact CZ3-CB 4.02Å; W378-F398 HydrophobicContact CH2-CB 4.06Å; W378-F398 AromaticContact CH2-CD2 3.93Å; W378-F398 HydrophobicContact CH2-CD2 3.93Å; W378-F398 HydrophobicContact CH2-CG 4.47Å; W378-F398 HydrophobicContact CZ2-CD2 4.48Å; W378-L401 HydrophobicContact CZ2-CD1 4.29Å |
| 379 | S | 92.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 47 Ų | 47 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -61.8 | 133.5 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | R388 | S379-R388 PolarHBondContact O-NH1 3.27Å; S379-R388 PolarHBondContact O-NH2 3.33Å; S379-R388 PolarHBondContact OG-NH1 3.23Å |
| 380 | A | 93.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 46.6 | 61 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W378 Y382 R383 | W378-A380 PolarHBondContact O-N 3.36Å; A380-Y382 PolarHBondContact O-N 2.9Å; A380-R383 HydrophobicContact CB-CB 4.28Å; A380-R383 WeakPolarHBondContact O-CB 3.37Å; A380-R383 PolarHBondContact O-N 2.84Å |
| 381 | P | 93.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.8 | -164 | 22.5 | -31.8 | 0 | 0 | 0 | 114.3 | R335 Q373 A375 W378 | R335-P381 VanDerWaalsContact CZ-O 3.25Å; R335-P381 PolarHBondContact NH1-O 2.93Å; R335-P381 PolarHBondContact NH2-O 3.4Å; Q373-P381 WeakPolarHBondContact O-CB 3.28Å; Q373-P381 WeakPolarHBondContact O-CG 2.97Å; A375-P381 HydrophobicContact CB-CG 4.36Å; W378-P381 HydrophobicContact CB-CB 4.21Å; W378-P381 VanDerWaalsContact O-CD 3.3Å; W378-P381 WeakPolarHBondContact O-CD 3.46Å |
| 382 | Y | 92.1 | Very high | 94.5 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 66% | 0.655 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8 | 178.8 | -59.8 | -77.6 | 0 | 0 | 0 | 113.8 | Q373 A380 | Q373-Y382 VanDerWaalsContact CD-CE1 3.46Å; Q373-Y382 HydrophobicContact CG-CE1 4.25Å; A380-Y382 PolarHBondContact O-N 2.9Å |
| 383 | R | 94.4 | Very high | 94.4 | Very high | 166 Ų | 166 | 64.7 Ų | 64.7 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -84.7 | 130.3 | 176.2 | -174.8 | -179.1 | 179.6 | -174.2 | -1.4 | 109.7 | R335 A380 D385 R388 | R335-R383 PolarHBondContact NH2-O 3.47Å; R335-R383 VanDerWaalsContact NH2-O 3.11Å; A380-R383 HydrophobicContact CB-CB 4.28Å; A380-R383 WeakPolarHBondContact O-CB 3.37Å; A380-R383 PolarHBondContact O-N 2.84Å; R383-D385 HydrophobicContact CG-CB 4.39Å; R383-D385 PolarHBondContact O-N 3.28Å; R383-R388 PolarHBondContact O-NH2 2.9Å |
| 384 | F | 97.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | trans | -73.9 | 102.9 | 168.1 | -174.2 | -106 | 0 | 0 | 0 | 109.5 | F291 V298 V329 E332 T336 P386 | F291-F384 HydrophobicContact CB-CD1 3.75Å; F291-F384 HydrophobicContact CB-CD2 3.77Å; F291-F384 HydrophobicContact CB-CE1 3.59Å; F291-F384 HydrophobicContact CB-CE2 3.64Å; F291-F384 HydrophobicContact CB-CG 3.83Å; F291-F384 HydrophobicContact CB-CZ 3.55Å; F291-F384 HydrophobicContact CD1-CD2 4.16Å; F291-F384 HydrophobicContact CD1-CG 4.32Å; F291-F384 AromaticContact CD2-CD2 3.6Å; F291-F384 HydrophobicContact CD2-CD2 3.6Å; F291-F384 AromaticContact CD2-CE2 3.44Å; F291-F384 HydrophobicContact CD2-CE2 3.44Å; F291-F384 VanDerWaalsContact CD2-CE2 3.44Å; F291-F384 HydrophobicContact CD2-CG 4.43Å; F291-F384 HydrophobicContact CD2-CZ 4.14Å; F291-F384 HydrophobicContact CE2-CD2 4.2Å; F291-F384 HydrophobicContact CE2-CE2 4.26Å; F291-F384 HydrophobicContact CG-CD1 4.41Å; F291-F384 AromaticContact CG-CD2 3.59Å; F291-F384 HydrophobicContact CG-CD2 3.59Å; F291-F384 HydrophobicContact CG-CE1 4.47Å; F291-F384 AromaticContact CG-CE2 3.7Å; F291-F384 HydrophobicContact CG-CE2 3.7Å; F291-F384 AromaticContact CG-CG 3.97Å; F291-F384 HydrophobicContact CG-CG 3.97Å; F291-F384 HydrophobicContact CG-CZ 4.16Å; V298-F384 HydrophobicContact CG1-CE1 3.95Å; V298-F384 HydrophobicContact CG2-CD1 4.43Å; V298-F384 HydrophobicContact CG2-CE1 4.46Å; V329-F384 HydrophobicContact CG1-CZ 4.25Å; E332-F384 HydrophobicContact CB-CD2 4.32Å; E332-F384 HydrophobicContact CB-CE2 3.94Å; E332-F384 HydrophobicContact CG-CD2 3.55Å; E332-F384 HydrophobicContact CG-CE2 3.68Å; E332-F384 HydrophobicContact CG-CG 4.18Å; E332-F384 HydrophobicContact CG-CZ 4.43Å; T336-F384 HydrophobicContact CG2-CB 4.44Å; T336-F384 HydrophobicContact CG2-CD2 4.36Å; F384-P386 HydrophobicContact CE1-CG 4.07Å; F384-P386 HydrophobicContact CZ-CG 4.26Å | ||
| 385 | D | 97.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | trans | -139.1 | 94.4 | -177.2 | -175 | 2.4 | 0 | 0 | 0 | 111.4 | E332 R383 D387 R388 | E332-D385 VanDerWaalsContact CD-O 3.31Å; E332-D385 PolarHBondContact OE1-N 2.83Å; R383-D385 HydrophobicContact CG-CB 4.39Å; R383-D385 PolarHBondContact O-N 3.28Å; D385-D387 PolarHBondContact O-N 3.35Å; D385-D387 WeakPolarHBondContact OD1-CB 3.26Å; D385-D387 PolarHBondContact OD1-N 3.42Å; D385-R388 WeakPolarHBondContact O-CB 3.49Å; D385-R388 PolarHBondContact O-N 3.48Å | ||
| 386 | P | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.1 | 179 | -26.3 | 36.8 | 0 | 0 | 0 | 114.5 | V298 Y325 Q328 V329 E332 F384 R388 F389 | V298-P386 HydrophobicContact CG1-CG 3.67Å; V298-P386 HydrophobicContact CG2-CG 4.16Å; Y325-P386 HydrophobicContact CE2-CB 3.94Å; Q328-P386 HydrophobicContact CB-CB 4.07Å; V329-P386 HydrophobicContact CB-CG 4.43Å; V329-P386 HydrophobicContact CG2-CB 4.01Å; V329-P386 HydrophobicContact CG2-CG 3.8Å; E332-P386 HydrophobicContact CB-CB 4.44Å; E332-P386 HydrophobicContact CB-CG 4.29Å; E332-P386 HydrophobicContact CG-CG 4.43Å; F384-P386 HydrophobicContact CE1-CG 4.07Å; F384-P386 HydrophobicContact CZ-CG 4.26Å; P386-R388 PolarHBondContact O-N 3.17Å; P386-R388 VanDerWaalsContact O-N 3.08Å; P386-F389 PolarHBondContact O-N 2.89Å |
| 387 | D | 97.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.2 | -175.4 | -68 | 9.8 | 0 | 0 | 0 | 111.2 | K301 Y325 D385 F389 E390 | K301-D387 IonicContact NZ-OD1 2.93Å; K301-D387 PolarHBondContact NZ-OD1 3.02Å; K301-D387 IonicContact NZ-OD2 2.68Å; K301-D387 PolarHBondContact NZ-OD2 3.44Å; Y325-D387 WeakPolarHBondContact CE2-OD1 3.32Å; Y325-D387 PolarHBondContact OH-OD1 3.47Å; D385-D387 PolarHBondContact O-N 3.35Å; D385-D387 WeakPolarHBondContact OD1-CB 3.26Å; D385-D387 PolarHBondContact OD1-N 3.42Å; D387-F389 PolarHBondContact O-N 3.43Å; D387-F389 VanDerWaalsContact O-N 3.11Å; D387-E390 WeakPolarHBondContact O-CB 3.47Å; D387-E390 VanDerWaalsContact O-CG 3.27Å; D387-E390 WeakPolarHBondContact O-CG 3.39Å; D387-E390 PolarHBondContact O-N 3.26Å |
| 388 | R | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -53.4 | -31.3 | 171.8 | -165.8 | -168.5 | -40.6 | -70.8 | 9.3 | 113.6 | E332 S379 R383 D385 P386 E390 E391 A394 | E332-R388 IonicContact OE1-NE 2.87Å; E332-R388 IonicContact OE1-NH2 3.04Å; E332-R388 PolarHBondContact OE1-NH2 3.3Å; E332-R388 IonicContact OE2-NE 3.49Å; S379-R388 PolarHBondContact O-NH1 3.27Å; S379-R388 PolarHBondContact O-NH2 3.33Å; S379-R388 PolarHBondContact OG-NH1 3.23Å; R383-R388 PolarHBondContact O-NH2 2.9Å; D385-R388 WeakPolarHBondContact O-CB 3.49Å; D385-R388 PolarHBondContact O-N 3.48Å; P386-R388 PolarHBondContact O-N 3.17Å; P386-R388 VanDerWaalsContact O-N 3.08Å; R388-E390 PolarHBondContact O-N 2.86Å; R388-E391 WeakPolarHBondContact O-CB 3.46Å; R388-E391 PolarHBondContact O-N 2.94Å; R388-A394 HydrophobicContact CG-CB 4.34Å; R388-A394 VanDerWaalsContact O-CB 3.32Å; R388-A394 WeakPolarHBondContact O-CB 3.23Å |
| 389 | F | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -79.9 | 2.5 | 178 | -74.4 | -79.5 | 0 | 0 | 0 | 113.7 | Q328 N331 E332 W378 P386 D387 E391 A394 R395 F398 | Q328-F389 HydrophobicContact CB-CB 4Å; Q328-F389 HydrophobicContact CG-CB 3.64Å; N331-F389 HydrophobicContact CB-CD1 3.99Å; N331-F389 HydrophobicContact CB-CD2 3.88Å; N331-F389 HydrophobicContact CB-CE1 3.73Å; N331-F389 HydrophobicContact CB-CE2 3.62Å; N331-F389 HydrophobicContact CB-CG 4.06Å; N331-F389 HydrophobicContact CB-CZ 3.54Å; E332-F389 HydrophobicContact CB-CD2 4.18Å; E332-F389 HydrophobicContact CB-CE2 3.84Å; E332-F389 VanDerWaalsContact N-CE2 3.33Å; E332-F389 VanDerWaalsContact OE2-CE2 3.29Å; E332-F389 WeakPolarHBondContact OE2-CE2 3.26Å; W378-F389 HydrophobicContact CZ3-CE1 4.28Å; W378-F389 HydrophobicContact CZ3-CZ 4.15Å; P386-F389 PolarHBondContact O-N 2.89Å; D387-F389 PolarHBondContact O-N 3.43Å; D387-F389 VanDerWaalsContact O-N 3.11Å; F389-E391 VanDerWaalsContact C-N 3.27Å; F389-A394 HydrophobicContact CD1-CB 4.5Å; F389-R395 HydrophobicContact CD1-CG 4.25Å; F389-R395 VanDerWaalsContact O-CD 3.26Å; F389-R395 WeakPolarHBondContact O-CD 3.41Å; F389-R395 WeakPolarHBondContact O-CG 3.27Å; F389-R395 PolarHBondContact O-NE 3.24Å; F389-F398 HydrophobicContact CE1-CB 3.77Å; F389-F398 AromaticContact CE1-CD1 3.9Å; F389-F398 HydrophobicContact CE1-CD1 3.9Å; F389-F398 AromaticContact CE1-CD2 3.89Å; F389-F398 HydrophobicContact CE1-CD2 3.89Å; F389-F398 HydrophobicContact CE1-CE1 4.43Å; F389-F398 HydrophobicContact CE1-CE2 4.44Å; F389-F398 AromaticContact CE1-CG 3.6Å; F389-F398 HydrophobicContact CE1-CG 3.6Å; F389-F398 HydrophobicContact CZ-CD1 4.38Å; F389-F398 AromaticContact CZ-CD2 3.86Å; F389-F398 HydrophobicContact CZ-CD2 3.86Å; F389-F398 HydrophobicContact CZ-CE2 4.05Å; F389-F398 HydrophobicContact CZ-CG 4.04Å; F389-F398 HydrophobicContact CZ-CZ 4.38Å |
| 390 | E | 95.5 | Very high | 94.2 | Very high | 115 Ų | 115 | 61.8 Ų | 61.8 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -65.7 | -36.2 | 161.4 | -65 | -177.2 | -175.5 | 0 | 0 | 110.2 | K301 Q328 D387 R388 E392 R395 | K301-E390 IonicContact NZ-OE1 3.22Å; Q328-E390 VanDerWaalsContact NE2-CG 3.33Å; D387-E390 WeakPolarHBondContact O-CB 3.47Å; D387-E390 VanDerWaalsContact O-CG 3.27Å; D387-E390 WeakPolarHBondContact O-CG 3.39Å; D387-E390 PolarHBondContact O-N 3.26Å; R388-E390 PolarHBondContact O-N 2.86Å; E390-E392 PolarHBondContact O-N 2.72Å; E390-R395 PolarHBondContact O-NH2 2.79Å |
| 391 | E | 94.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -66.1 | 132.2 | 178.4 | -59.3 | -168.4 | -179.6 | 0 | 0 | 112.3 | R388 F389 S393 A394 R395 | R388-E391 WeakPolarHBondContact O-CB 3.46Å; R388-E391 PolarHBondContact O-N 2.94Å; F389-E391 VanDerWaalsContact C-N 3.27Å; E391-S393 VanDerWaalsContact C-N 3.31Å; E391-S393 PolarHBondContact O-N 3.37Å; E391-S393 PolarHBondContact OE2-OG 2.98Å; E391-A394 HydrophobicContact CB-CB 4.26Å; E391-A394 PolarHBondContact O-N 3.47Å; E391-R395 PolarHBondContact O-N 2.96Å |
| 392 | E | 93.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 178.9 | -162.8 | -171.3 | 175 | 0 | 0 | 112.3 | E390 R395 K396 | E390-E392 PolarHBondContact O-N 2.72Å; E392-R395 PolarHBondContact O-N 2.7Å; E392-K396 HydrophobicContact CG-CD 4.25Å; E392-K396 HydrophobicContact CG-CG 4.47Å; E392-K396 WeakPolarHBondContact O-CB 3.48Å; E392-K396 WeakPolarHBondContact O-CG 3.31Å; E392-K396 PolarHBondContact O-N 3.37Å; E392-K396 WeakPolarHBondContact OE1-CE 3.45Å; E392-K396 IonicContact OE1-NZ 3.68Å; E392-K396 PolarHBondContact OE1-NZ 3.37Å; E392-K396 IonicContact OE2-NZ 2.78Å |
| 393 | S | 92.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 52 Ų | 52 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 174 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | E391 R395 K396 S397 | E391-S393 VanDerWaalsContact C-N 3.31Å; E391-S393 PolarHBondContact O-N 3.37Å; E391-S393 PolarHBondContact OE2-OG 2.98Å; S393-R395 PolarHBondContact O-N 2.97Å; S393-K396 PolarHBondContact O-N 2.88Å; S393-S397 PolarHBondContact O-N 2.89Å; S393-S397 PolarHBondContact O-OG 3.27Å |
| 394 | A | 93.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W378 R388 F389 E391 K396 S397 F398 | W378-A394 HydrophobicContact CZ3-CB 4.02Å; R388-A394 HydrophobicContact CG-CB 4.34Å; R388-A394 VanDerWaalsContact O-CB 3.32Å; R388-A394 WeakPolarHBondContact O-CB 3.23Å; F389-A394 HydrophobicContact CD1-CB 4.5Å; E391-A394 HydrophobicContact CB-CB 4.26Å; E391-A394 PolarHBondContact O-N 3.47Å; A394-K396 PolarHBondContact O-N 3.18Å; A394-S397 PolarHBondContact O-N 3.06Å; A394-F398 VanDerWaalsContact O-CB 3.3Å; A394-F398 WeakPolarHBondContact O-CB 2.86Å; A394-F398 PolarHBondContact O-N 2.9Å |
| 395 | R | 94 | Very high | 92.6 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -43 | 177.2 | -72 | -176.9 | -75.4 | 123 | -5.1 | 112.8 | F389 E390 E391 E392 S393 F398 C399 | F389-R395 HydrophobicContact CD1-CG 4.25Å; F389-R395 VanDerWaalsContact O-CD 3.26Å; F389-R395 WeakPolarHBondContact O-CD 3.41Å; F389-R395 WeakPolarHBondContact O-CG 3.27Å; F389-R395 PolarHBondContact O-NE 3.24Å; E390-R395 PolarHBondContact O-NH2 2.79Å; E391-R395 PolarHBondContact O-N 2.96Å; E392-R395 PolarHBondContact O-N 2.7Å; S393-R395 PolarHBondContact O-N 2.97Å; R395-F398 PolarHBondContact O-N 2.79Å; R395-C399 VanDerWaalsContact O-CB 3.26Å; R395-C399 WeakPolarHBondContact O-CB 3.47Å; R395-C399 PolarHBondContact O-N 2.85Å |
| 396 | K | 92.1 | Very high | 91.5 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -45 | 177.7 | -78.4 | 175.1 | 178.5 | 162.8 | 0 | 111.8 | E392 S393 A394 C399 L400 | E392-K396 HydrophobicContact CG-CD 4.25Å; E392-K396 HydrophobicContact CG-CG 4.47Å; E392-K396 WeakPolarHBondContact O-CB 3.48Å; E392-K396 WeakPolarHBondContact O-CG 3.31Å; E392-K396 PolarHBondContact O-N 3.37Å; E392-K396 WeakPolarHBondContact OE1-CE 3.45Å; E392-K396 IonicContact OE1-NZ 3.68Å; E392-K396 PolarHBondContact OE1-NZ 3.37Å; E392-K396 IonicContact OE2-NZ 2.78Å; S393-K396 PolarHBondContact O-N 2.88Å; A394-K396 PolarHBondContact O-N 3.18Å; K396-C399 PolarHBondContact O-N 2.88Å; K396-L400 WeakPolarHBondContact O-CB 3.44Å; K396-L400 PolarHBondContact O-N 2.87Å |
| 397 | S | 92.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.5 | -68 | 0 | 0 | 0 | 0 | 110.8 | S393 A394 C399 L400 L401 | S393-S397 PolarHBondContact O-N 2.89Å; S393-S397 PolarHBondContact O-OG 3.27Å; A394-S397 PolarHBondContact O-N 3.06Å; S397-C399 PolarHBondContact O-N 2.97Å; S397-L400 WeakPolarHBondContact O-CB 3.47Å; S397-L400 PolarHBondContact O-N 3.45Å; S397-L401 VanDerWaalsContact O-CG 3.28Å; S397-L401 WeakPolarHBondContact O-CG 3.46Å; S397-L401 PolarHBondContact O-N 2.98Å; S397-L401 VanDerWaalsContact O-N 3.13Å |
| 398 | F | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179.1 | -158.3 | -112.9 | 0 | 0 | 0 | 113.6 | N331 V334 R335 L372 W378 F389 A394 R395 L401 F403 | N331-F398 HydrophobicContact CB-CD1 4.21Å; N331-F398 HydrophobicContact CB-CE1 3.64Å; N331-F398 HydrophobicContact CB-CZ 3.98Å; N331-F398 WeakPolarHBondContact O-CZ 3.31Å; V334-F398 HydrophobicContact CB-CZ 3.92Å; V334-F398 HydrophobicContact CG1-CE2 4.23Å; V334-F398 HydrophobicContact CG1-CZ 3.77Å; R335-F398 HydrophobicContact CB-CE2 4.12Å; L372-F398 HydrophobicContact CD2-CD2 4.36Å; L372-F398 HydrophobicContact CD2-CE2 4.27Å; W378-F398 HydrophobicContact CH2-CB 4.06Å; W378-F398 AromaticContact CH2-CD2 3.93Å; W378-F398 HydrophobicContact CH2-CD2 3.93Å; W378-F398 HydrophobicContact CH2-CG 4.47Å; W378-F398 HydrophobicContact CZ2-CD2 4.48Å; F389-F398 HydrophobicContact CE1-CB 3.77Å; F389-F398 AromaticContact CE1-CD1 3.9Å; F389-F398 HydrophobicContact CE1-CD1 3.9Å; F389-F398 AromaticContact CE1-CD2 3.89Å; F389-F398 HydrophobicContact CE1-CD2 3.89Å; F389-F398 HydrophobicContact CE1-CE1 4.43Å; F389-F398 HydrophobicContact CE1-CE2 4.44Å; F389-F398 AromaticContact CE1-CG 3.6Å; F389-F398 HydrophobicContact CE1-CG 3.6Å; F389-F398 HydrophobicContact CZ-CD1 4.38Å; F389-F398 AromaticContact CZ-CD2 3.86Å; F389-F398 HydrophobicContact CZ-CD2 3.86Å; F389-F398 HydrophobicContact CZ-CE2 4.05Å; F389-F398 HydrophobicContact CZ-CG 4.04Å; F389-F398 HydrophobicContact CZ-CZ 4.38Å; A394-F398 VanDerWaalsContact O-CB 3.3Å; A394-F398 WeakPolarHBondContact O-CB 2.86Å; A394-F398 PolarHBondContact O-N 2.9Å; R395-F398 PolarHBondContact O-N 2.79Å; F398-L401 PolarHBondContact O-N 3.42Å; F398-F403 HydrophobicContact CD1-CB 3.66Å; F398-F403 HydrophobicContact CD2-CB 4.02Å; F398-F403 AromaticContact CD2-CD2 3.97Å; F398-F403 HydrophobicContact CD2-CD2 3.97Å; F398-F403 HydrophobicContact CD2-CG 4.37Å; F398-F403 HydrophobicContact CE1-CB 3.28Å; F398-F403 HydrophobicContact CE1-CG 4.37Å; F398-F403 HydrophobicContact CE2-CB 3.67Å; F398-F403 AromaticContact CE2-CD2 3.8Å; F398-F403 HydrophobicContact CE2-CD2 3.8Å; F398-F403 AromaticContact CE2-CG 3.93Å; F398-F403 HydrophobicContact CE2-CG 3.93Å; F398-F403 HydrophobicContact CG-CB 4Å; F398-F403 HydrophobicContact CZ-CB 3.29Å; F398-F403 HydrophobicContact CZ-CD2 4.29Å; F398-F403 AromaticContact CZ-CG 3.93Å; F398-F403 HydrophobicContact CZ-CG 3.93Å; F398-F403 PolarHBondContact O-N 3.33Å |
| 399 | C | 90.6 | Very high | 88.7 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | R395 K396 S397 L401 G402 S404 | R395-C399 VanDerWaalsContact O-CB 3.26Å; R395-C399 WeakPolarHBondContact O-CB 3.47Å; R395-C399 PolarHBondContact O-N 2.85Å; K396-C399 PolarHBondContact O-N 2.88Å; S397-C399 PolarHBondContact O-N 2.97Å; C399-L401 VanDerWaalsContact C-N 3.27Å; C399-L401 PolarHBondContact O-N 2.85Å; C399-G402 PolarHBondContact O-N 2.84Å; C399-S404 VanDerWaalsContact CA-OG 3.26Å; C399-S404 WeakPolarHBondContact CA-OG 3.48Å; C399-S404 WeakPolarHBondContact CB-OG 3.07Å; C399-S404 PolarHBondContact N-OG 3.44Å; C399-S404 PolarHBondContact SG-O 2.84Å; C399-S404 VanDerWaalsContact SG-O 3.33Å |
| 400 | L | 87.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.8 | -179.3 | 86.5 | 0 | 0 | 0 | 111.8 | V84 K88 I91 K396 S397 G402 | V84-L400 HydrophobicContact CG1-CD2 3.9Å; K88-L400 HydrophobicContact CB-CD2 4.4Å; K88-L400 HydrophobicContact CD-CD2 4.1Å; K88-L400 HydrophobicContact CG-CD1 3.98Å; K88-L400 HydrophobicContact CG-CD2 3.24Å; K88-L400 HydrophobicContact CG-CG 4.23Å; I91-L400 HydrophobicContact CD1-CD1 3.51Å; I91-L400 HydrophobicContact CD1-CD2 4.06Å; I91-L400 HydrophobicContact CD1-CG 3.55Å; K396-L400 WeakPolarHBondContact O-CB 3.44Å; K396-L400 PolarHBondContact O-N 2.87Å; S397-L400 WeakPolarHBondContact O-CB 3.47Å; S397-L400 PolarHBondContact O-N 3.45Å; L400-G402 PolarHBondContact O-N 3.04Å; L400-G402 VanDerWaalsContact O-N 3.17Å |
| 401 | L | 88.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.6 | 178.8 | -62.3 | 174.7 | 0 | 0 | 0 | 113.3 | L87 L368 V371 L372 W378 S397 F398 C399 F403 | L87-L401 HydrophobicContact CD2-CD2 3.37Å; L368-L401 HydrophobicContact CD2-CB 4.32Å; L368-L401 HydrophobicContact CD2-CD2 3.86Å; V371-L401 HydrophobicContact CG1-CD1 3.9Å; V371-L401 HydrophobicContact CG1-CD2 3.9Å; L372-L401 HydrophobicContact CD2-CD1 3.99Å; W378-L401 HydrophobicContact CZ2-CD1 4.29Å; S397-L401 VanDerWaalsContact O-CG 3.28Å; S397-L401 WeakPolarHBondContact O-CG 3.46Å; S397-L401 PolarHBondContact O-N 2.98Å; S397-L401 VanDerWaalsContact O-N 3.13Å; F398-L401 PolarHBondContact O-N 3.42Å; C399-L401 VanDerWaalsContact C-N 3.27Å; C399-L401 PolarHBondContact O-N 2.85Å; L401-F403 HydrophobicContact CB-CD2 3.51Å; L401-F403 HydrophobicContact CB-CE2 3.63Å; L401-F403 HydrophobicContact CD1-CD2 4.32Å; L401-F403 HydrophobicContact CD1-CE2 4.15Å |
| 402 | G | 87.4 | Confident | 87.6 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 19.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | C399 L400 T408 | C399-G402 PolarHBondContact O-N 2.84Å; L400-G402 PolarHBondContact O-N 3.04Å; L400-G402 VanDerWaalsContact O-N 3.17Å; G402-T408 WeakPolarHBondContact O-CA 3.36Å |
| 403 | F | 90.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -95.9 | -10.1 | 177.5 | -62.1 | -61.5 | 0 | 0 | 0 | 114 | V334 T340 L368 L372 F398 L401 L412 Y416 | V334-F403 HydrophobicContact CG1-CB 4.36Å; V334-F403 HydrophobicContact CG1-CD1 3.61Å; V334-F403 HydrophobicContact CG1-CE1 3.98Å; V334-F403 HydrophobicContact CG1-CG 4.03Å; T340-F403 VanDerWaalsContact OG1-CE1 3.31Å; T340-F403 WeakPolarHBondContact OG1-CE1 3.07Å; L368-F403 HydrophobicContact CB-CZ 4.13Å; L368-F403 HydrophobicContact CD1-CE1 4.4Å; L368-F403 HydrophobicContact CD1-CE2 4.34Å; L368-F403 HydrophobicContact CD1-CZ 3.71Å; L368-F403 HydrophobicContact CG-CZ 4.39Å; L372-F403 HydrophobicContact CD1-CE2 3.82Å; L372-F403 HydrophobicContact CD1-CZ 3.83Å; L372-F403 HydrophobicContact CD2-CD2 4.18Å; L372-F403 HydrophobicContact CD2-CE2 3.76Å; L372-F403 HydrophobicContact CG-CE2 4.11Å; F398-F403 HydrophobicContact CD1-CB 3.66Å; F398-F403 HydrophobicContact CD2-CB 4.02Å; F398-F403 AromaticContact CD2-CD2 3.97Å; F398-F403 HydrophobicContact CD2-CD2 3.97Å; F398-F403 HydrophobicContact CD2-CG 4.37Å; F398-F403 HydrophobicContact CE1-CB 3.28Å; F398-F403 HydrophobicContact CE1-CG 4.37Å; F398-F403 HydrophobicContact CE2-CB 3.67Å; F398-F403 AromaticContact CE2-CD2 3.8Å; F398-F403 HydrophobicContact CE2-CD2 3.8Å; F398-F403 AromaticContact CE2-CG 3.93Å; F398-F403 HydrophobicContact CE2-CG 3.93Å; F398-F403 HydrophobicContact CG-CB 4Å; F398-F403 HydrophobicContact CZ-CB 3.29Å; F398-F403 HydrophobicContact CZ-CD2 4.29Å; F398-F403 AromaticContact CZ-CG 3.93Å; F398-F403 HydrophobicContact CZ-CG 3.93Å; F398-F403 PolarHBondContact O-N 3.33Å; L401-F403 HydrophobicContact CB-CD2 3.51Å; L401-F403 HydrophobicContact CB-CE2 3.63Å; L401-F403 HydrophobicContact CD1-CD2 4.32Å; L401-F403 HydrophobicContact CD1-CE2 4.15Å; F403-L412 HydrophobicContact CD1-CD2 4.03Å; F403-Y416 VanDerWaalsContact O-CE2 3.29Å; F403-Y416 WeakPolarHBondContact O-CE2 3.43Å; F403-Y416 PolarHBondContact O-OH 2.91Å |
| 404 | S | 88.3 | Confident | 87.5 | Confident | 24 Ų | 24 | 41 Ų | 41 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -151.4 | 164.9 | 175.7 | 64 | 0 | 0 | 0 | 0 | 111.8 | C399 T408 | C399-S404 VanDerWaalsContact CA-OG 3.26Å; C399-S404 WeakPolarHBondContact CA-OG 3.48Å; C399-S404 WeakPolarHBondContact CB-OG 3.07Å; C399-S404 PolarHBondContact N-OG 3.44Å; C399-S404 PolarHBondContact SG-O 2.84Å; C399-S404 VanDerWaalsContact SG-O 3.33Å; S404-T408 WeakPolarHBondContact CA-OG1 3.05Å; S404-T408 PolarHBondContact N-OG1 3.24Å; S404-T408 PolarHBondContact O-OG1 3.01Å |
| 405 | G | 84.2 | Confident | 87.7 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 45% | 0.454 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | 75 | -159.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q407 T408 | G405-Q407 PolarHBondContact O-N 2.69Å; G405-T408 PolarHBondContact N-OG1 3.46Å; G405-T408 VanDerWaalsContact N-OG1 3.15Å; G405-T408 WeakPolarHBondContact O-CB 3.02Å; G405-T408 PolarHBondContact O-N 3.3Å; G405-T408 PolarHBondContact O-OG1 3.34Å |
| 406 | N | 73.5 | Confident | 87.8 | Confident | 148 Ų | 148 | 35.8 Ų | 35.8 | 79% | 0.791 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -70.7 | -15.9 | -172.7 | -66.3 | -10.2 | 0 | 0 | 0 | 114.1 | T408 | N406-T408 VanDerWaalsContact C-N 3.35Š|
| 407 | Q | 70.8 | Confident | 88.1 | Confident | 125 Ų | 125 | 31.1 Ų | 31.1 | 58% | 0.584 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -93.1 | 1.1 | 177.9 | -59.4 | -61.8 | -13 | 0 | 0 | 112.5 | G405 C409 | G405-Q407 PolarHBondContact O-N 2.69Å; Q407-C409 PolarHBondContact O-N 2.64Å |
| 408 | T | 80.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -61.9 | 131 | 176.3 | -44.9 | 0 | 0 | 0 | 0 | 110.1 | G402 S404 G405 N406 L412 R413 Y416 | G402-T408 WeakPolarHBondContact O-CA 3.36Å; S404-T408 WeakPolarHBondContact CA-OG1 3.05Å; S404-T408 PolarHBondContact N-OG1 3.24Å; S404-T408 PolarHBondContact O-OG1 3.01Å; G405-T408 PolarHBondContact N-OG1 3.46Å; G405-T408 VanDerWaalsContact N-OG1 3.15Å; G405-T408 WeakPolarHBondContact O-CB 3.02Å; G405-T408 PolarHBondContact O-N 3.3Å; G405-T408 PolarHBondContact O-OG1 3.34Å; N406-T408 VanDerWaalsContact C-N 3.35Å; T408-L412 HydrophobicContact CG2-CB 4.08Å; T408-L412 HydrophobicContact CG2-CD2 3.99Å; T408-L412 HydrophobicContact CG2-CG 4.04Å; T408-R413 HydrophobicContact CG2-CB 4.38Å; T408-Y416 HydrophobicContact CG2-CE2 4.37Å |
| 409 | C | 80.9 | Confident | 88.6 | Confident | 37 Ų | 37 | 30.4 Ų | 30.4 | 25% | 0.25 | 18% | 0.176 | C | C | . | . | trans | -51.3 | 134.1 | 169.1 | 169 | 0 | 0 | 0 | 0 | 110.3 | Q407 E411 L412 R413 | Q407-C409 PolarHBondContact O-N 2.64Å; C409-E411 VanDerWaalsContact C-N 3.3Å; C409-E411 PolarHBondContact O-N 3.22Å; C409-E411 PolarHBondContact SG-OE2 2.88Å; C409-L412 HydrophobicContact CB-CB 4.3Å; C409-L412 PolarHBondContact O-N 3.43Å; C409-L412 VanDerWaalsContact O-N 3.14Å; C409-R413 PolarHBondContact O-N 2.68Å | ||
| 410 | P | 84.8 | Confident | 89 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -38.4 | -174.2 | -24.4 | 33.9 | 0 | 0 | 0 | 114.1 | Y128 E129 I132 R413 F414 | Y128-P410 HydrophobicContact CD1-CB 4.07Å; Y128-P410 HydrophobicContact CD1-CG 4.11Å; Y128-P410 HydrophobicContact CE1-CB 4.03Å; Y128-P410 HydrophobicContact CE1-CG 4.33Å; E129-P410 HydrophobicContact CG-CB 4.29Å; E129-P410 HydrophobicContact CG-CG 3.73Å; I132-P410 HydrophobicContact CD1-CB 3.44Å; I132-P410 VanDerWaalsContact CD1-CB 3.44Å; P410-R413 WeakPolarHBondContact O-CB 3.28Å; P410-R413 PolarHBondContact O-N 2.61Å; P410-F414 PolarHBondContact O-N 3.32Å |
| 411 | E | 88.4 | Confident | 89.5 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.1 | -68.2 | 84 | 165.5 | 0 | 0 | 111.6 | Y128 F273 A276 I280 C409 F414 A415 | Y128-E411 PolarHBondContact OH-OE1 3.39Å; F273-E411 HydrophobicContact CD2-CG 4.33Å; A276-E411 HydrophobicContact CB-CG 4.41Å; I280-E411 HydrophobicContact CD1-CB 3.9Å; C409-E411 VanDerWaalsContact C-N 3.3Å; C409-E411 PolarHBondContact O-N 3.22Å; C409-E411 PolarHBondContact SG-OE2 2.88Å; E411-F414 WeakPolarHBondContact O-CB 3.37Å; E411-F414 PolarHBondContact O-N 3.1Å; E411-A415 WeakPolarHBondContact O-CB 3.3Å; E411-A415 PolarHBondContact O-N 3.24Å |
| 412 | L | 91.4 | Very high | 90 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.8 | 179.9 | 59.7 | 0 | 0 | 0 | 111.2 | I280 L284 V334 L339 F403 T408 C409 F414 A415 Y416 | I280-L412 HydrophobicContact CG2-CD1 4.16Å; L284-L412 HydrophobicContact CD2-CD1 4.47Å; V334-L412 HydrophobicContact CG2-CD1 4.22Å; L339-L412 HydrophobicContact CD2-CD1 4.04Å; F403-L412 HydrophobicContact CD1-CD2 4.03Å; T408-L412 HydrophobicContact CG2-CB 4.08Å; T408-L412 HydrophobicContact CG2-CD2 3.99Å; T408-L412 HydrophobicContact CG2-CG 4.04Å; C409-L412 HydrophobicContact CB-CB 4.3Å; C409-L412 PolarHBondContact O-N 3.43Å; C409-L412 VanDerWaalsContact O-N 3.14Å; L412-F414 VanDerWaalsContact C-N 3.33Å; L412-F414 PolarHBondContact O-N 3.04Å; L412-A415 WeakPolarHBondContact O-CB 3.45Å; L412-A415 PolarHBondContact O-N 2.82Å; L412-Y416 HydrophobicContact CD1-CD2 4.31Å; L412-Y416 HydrophobicContact CD1-CE2 3.97Å; L412-Y416 HydrophobicContact CD2-CE2 3.99Å; L412-Y416 HydrophobicContact CG-CD2 4.01Å; L412-Y416 HydrophobicContact CG-CE2 3.6Å; L412-Y416 WeakPolarHBondContact O-CD2 3.41Å; L412-Y416 PolarHBondContact O-N 2.88Å |
| 413 | R | 91.3 | Very high | 90.5 | Very high | 61 Ų | 61 | 24.3 Ų | 24.3 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 173.1 | -175 | 175.1 | 68.4 | -156.8 | -3.6 | 112 | E129 N133 T408 C409 P410 T417 | E129-R413 PolarHBondContact O-NH2 3.26Å; N133-R413 VanDerWaalsContact CG-NH2 3.31Å; N133-R413 PolarHBondContact ND2-NH2 3.4Å; N133-R413 PolarHBondContact OD1-NE 3Å; N133-R413 VanDerWaalsContact OD1-NE 3.15Å; N133-R413 PolarHBondContact OD1-NH2 3.39Å; T408-R413 HydrophobicContact CG2-CB 4.38Å; C409-R413 PolarHBondContact O-N 2.68Å; P410-R413 WeakPolarHBondContact O-CB 3.28Å; P410-R413 PolarHBondContact O-N 2.61Å; R413-T417 PolarHBondContact O-N 3.15Å; R413-T417 PolarHBondContact O-OG1 2.64Å |
| 414 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 172.4 | -179.3 | -83.7 | 0 | 0 | 0 | 111 | I132 L136 M143 T176 V177 L180 F273 P410 E411 L412 Y416 T417 V418 | I132-F414 HydrophobicContact CG2-CB 4.15Å; I132-F414 HydrophobicContact CG2-CD2 4.16Å; L136-F414 HydrophobicContact CD1-CD2 4.17Å; L136-F414 HydrophobicContact CD2-CD2 3.43Å; L136-F414 VanDerWaalsContact CD2-CD2 3.43Å; L136-F414 HydrophobicContact CD2-CE2 3.54Å; L136-F414 HydrophobicContact CD2-CG 4.29Å; L136-F414 HydrophobicContact CD2-CZ 4.46Å; L136-F414 HydrophobicContact CG-CD2 3.79Å; L136-F414 HydrophobicContact CG-CE2 4.17Å; M143-F414 HydrophobicContact CE-CE2 4.49Å; M143-F414 HydrophobicContact CE-CZ 4.41Å; T176-F414 HydrophobicContact CG2-CE1 4.43Å; T176-F414 HydrophobicContact CG2-CZ 4.13Å; V177-F414 HydrophobicContact CG2-CD1 4.3Å; V177-F414 HydrophobicContact CG2-CE1 3.55Å; V177-F414 HydrophobicContact CG2-CZ 4.2Å; L180-F414 HydrophobicContact CB-CE2 4.07Å; L180-F414 HydrophobicContact CB-CZ 4.16Å; L180-F414 HydrophobicContact CD2-CE2 3.61Å; L180-F414 HydrophobicContact CD2-CZ 3.82Å; L180-F414 HydrophobicContact CG-CE2 4.47Å; F273-F414 HydrophobicContact CE2-CD2 4.43Å; F273-F414 HydrophobicContact CE2-CG 4.48Å; F273-F414 HydrophobicContact CZ-CD2 4.03Å; F273-F414 HydrophobicContact CZ-CE2 4.06Å; F273-F414 HydrophobicContact CZ-CG 4.37Å; F273-F414 HydrophobicContact CZ-CZ 4.44Å; P410-F414 PolarHBondContact O-N 3.32Å; E411-F414 WeakPolarHBondContact O-CB 3.37Å; E411-F414 PolarHBondContact O-N 3.1Å; L412-F414 VanDerWaalsContact C-N 3.33Å; L412-F414 PolarHBondContact O-N 3.04Å; F414-Y416 PolarHBondContact O-N 3.39Å; F414-T417 WeakPolarHBondContact O-CB 3.26Å; F414-T417 PolarHBondContact O-N 2.98Å; F414-V418 HydrophobicContact CD1-CG2 3.95Å; F414-V418 HydrophobicContact CE1-CG2 3.49Å; F414-V418 VanDerWaalsContact CE1-CG2 3.49Å; F414-V418 HydrophobicContact CZ-CG2 4.05Å; F414-V418 PolarHBondContact O-N 2.86Å; F414-V418 VanDerWaalsContact O-N 3.08Å |
| 415 | A | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I280 L284 E411 L412 T417 V418 A419 | I280-A415 HydrophobicContact CG2-CB 3.94Å; L284-A415 HydrophobicContact CD2-CB 3.8Å; E411-A415 WeakPolarHBondContact O-CB 3.3Å; E411-A415 PolarHBondContact O-N 3.24Å; L412-A415 WeakPolarHBondContact O-CB 3.45Å; L412-A415 PolarHBondContact O-N 2.82Å; A415-T417 VanDerWaalsContact C-N 3.26Å; A415-T417 PolarHBondContact O-N 3.43Å; A415-V418 PolarHBondContact O-N 3.07Å; A415-A419 VanDerWaalsContact O-CB 3.26Å; A415-A419 WeakPolarHBondContact O-CB 3.32Å; A415-A419 PolarHBondContact O-N 3.41Å |
| 416 | Y | 97.6 | Very high | 92 | Very high | 14 Ų | 14 | 21.4 Ų | 21.4 | 6% | 0.055 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -38.8 | 174.1 | -79.7 | -56.4 | 0 | 0 | 0 | 112.4 | L284 L330 N331 V334 F403 T408 L412 F414 T420 | L284-Y416 HydrophobicContact CD2-CD1 4Å; L284-Y416 HydrophobicContact CD2-CE1 4.41Å; L284-Y416 HydrophobicContact CD2-CG 4.48Å; L330-Y416 HydrophobicContact CB-CD1 3.66Å; L330-Y416 HydrophobicContact CB-CE1 3.67Å; L330-Y416 HydrophobicContact CD1-CD1 4.01Å; L330-Y416 HydrophobicContact CG-CD1 4.4Å; N331-Y416 PolarHBondContact OD1-OH 2.78Å; V334-Y416 HydrophobicContact CG2-CE1 4.06Å; V334-Y416 WeakPolarHBondContact CG2-OH 3.33Å; F403-Y416 VanDerWaalsContact O-CE2 3.29Å; F403-Y416 WeakPolarHBondContact O-CE2 3.43Å; F403-Y416 PolarHBondContact O-OH 2.91Å; T408-Y416 HydrophobicContact CG2-CE2 4.37Å; L412-Y416 HydrophobicContact CD1-CD2 4.31Å; L412-Y416 HydrophobicContact CD1-CE2 3.97Å; L412-Y416 HydrophobicContact CD2-CE2 3.99Å; L412-Y416 HydrophobicContact CG-CD2 4.01Å; L412-Y416 HydrophobicContact CG-CE2 3.6Å; L412-Y416 WeakPolarHBondContact O-CD2 3.41Å; L412-Y416 PolarHBondContact O-N 2.88Å; F414-Y416 PolarHBondContact O-N 3.39Å; Y416-T420 VanDerWaalsContact O-CB 3.31Å; Y416-T420 WeakPolarHBondContact O-CB 3.45Å; Y416-T420 PolarHBondContact O-N 3.05Å; Y416-T420 PolarHBondContact O-OG1 2.97Å |
| 417 | T | 96.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 13% | 0.129 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.4 | -48.8 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | L136 M143 I320 R413 F414 A415 A419 T420 V421 | L136-T417 HydrophobicContact CD2-CG2 4.02Å; M143-T417 HydrophobicContact CE-CG2 4.27Å; M143-T417 HydrophobicContact SD-CG2 4.1Å; I320-T417 HydrophobicContact CD1-CG2 4Å; R413-T417 PolarHBondContact O-N 3.15Å; R413-T417 PolarHBondContact O-OG1 2.64Å; F414-T417 WeakPolarHBondContact O-CB 3.26Å; F414-T417 PolarHBondContact O-N 2.98Å; A415-T417 VanDerWaalsContact C-N 3.26Å; A415-T417 PolarHBondContact O-N 3.43Å; T417-A419 PolarHBondContact O-N 3Å; T417-T420 PolarHBondContact O-N 3.44Å; T417-V421 WeakPolarHBondContact O-CG2 3.28Å; T417-V421 PolarHBondContact O-N 3.39Å |
| 418 | V | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | M143 T176 T281 F414 A415 T420 V421 L422 | M143-V418 HydrophobicContact CE-CG2 3.62Å; M143-V418 HydrophobicContact CG-CG2 4.48Å; M143-V418 HydrophobicContact SD-CB 4.39Å; M143-V418 HydrophobicContact SD-CG2 3.88Å; T176-V418 HydrophobicContact CG2-CG1 4.44Å; T176-V418 HydrophobicContact CG2-CG2 3.76Å; T281-V418 HydrophobicContact CG2-CB 3.75Å; T281-V418 HydrophobicContact CG2-CG1 3.63Å; T281-V418 HydrophobicContact CG2-CG2 4.08Å; F414-V418 HydrophobicContact CD1-CG2 3.95Å; F414-V418 HydrophobicContact CE1-CG2 3.49Å; F414-V418 VanDerWaalsContact CE1-CG2 3.49Å; F414-V418 HydrophobicContact CZ-CG2 4.05Å; F414-V418 PolarHBondContact O-N 2.86Å; F414-V418 VanDerWaalsContact O-N 3.08Å; A415-V418 PolarHBondContact O-N 3.07Å; V418-T420 VanDerWaalsContact C-N 3.33Å; V418-T420 PolarHBondContact O-N 3.19Å; V418-V421 PolarHBondContact O-N 3.45Å; V418-L422 WeakPolarHBondContact O-CB 3.41Å; V418-L422 PolarHBondContact O-N 3.27Å |
| 419 | A | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L284 L330 A415 T417 V421 L422 L423 | L284-A419 HydrophobicContact CD2-CB 3.85Å; L284-A419 HydrophobicContact CG-CB 4.05Å; L330-A419 HydrophobicContact CD1-CB 4.11Å; L330-A419 HydrophobicContact CD2-CB 3.6Å; A415-A419 VanDerWaalsContact O-CB 3.26Å; A415-A419 WeakPolarHBondContact O-CB 3.32Å; A415-A419 PolarHBondContact O-N 3.41Å; T417-A419 PolarHBondContact O-N 3Å; A419-V421 VanDerWaalsContact C-N 3.35Å; A419-V421 PolarHBondContact O-N 3.44Å; A419-L422 PolarHBondContact O-N 2.98Å; A419-L423 WeakPolarHBondContact O-CB 3.45Å; A419-L423 VanDerWaalsContact O-CG 3.26Å; A419-L423 WeakPolarHBondContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.12Å |
| 420 | T | 98.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 3% | 0.025 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.4 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I320 L323 L330 Y416 T417 V418 S424 | I320-T420 HydrophobicContact CD1-CG2 4.43Å; I320-T420 HydrophobicContact CG1-CG2 3.96Å; I320-T420 HydrophobicContact CG2-CG2 4.26Å; L323-T420 HydrophobicContact CD1-CG2 3.85Å; L330-T420 VanDerWaalsContact CD1-OG1 3.32Å; L330-T420 WeakPolarHBondContact CD1-OG1 3.28Å; Y416-T420 VanDerWaalsContact O-CB 3.31Å; Y416-T420 WeakPolarHBondContact O-CB 3.45Å; Y416-T420 PolarHBondContact O-N 3.05Å; Y416-T420 PolarHBondContact O-OG1 2.97Å; T417-T420 PolarHBondContact O-N 3.44Å; V418-T420 VanDerWaalsContact C-N 3.33Å; V418-T420 PolarHBondContact O-N 3.19Å; T420-S424 VanDerWaalsContact O-CB 3.25Å; T420-S424 WeakPolarHBondContact O-CB 3.26Å; T420-S424 PolarHBondContact O-N 3.04Å; T420-S424 PolarHBondContact O-OG 3.26Å |
| 421 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | F140 M143 L144 V147 V315 T417 V418 A419 S424 T425 | F140-V421 HydrophobicContact CE2-CG2 3.52Å; F140-V421 HydrophobicContact CZ-CG2 3.75Å; M143-V421 HydrophobicContact SD-CB 4.29Å; M143-V421 HydrophobicContact SD-CG2 3.83Å; L144-V421 HydrophobicContact CB-CG1 4.43Å; L144-V421 HydrophobicContact CD1-CG1 3.82Å; V147-V421 HydrophobicContact CB-CG1 4.12Å; V147-V421 HydrophobicContact CG1-CG1 4.22Å; V147-V421 HydrophobicContact CG2-CG1 3.97Å; V315-V421 HydrophobicContact CG1-CB 4.3Å; V315-V421 HydrophobicContact CG1-CG1 4.02Å; V315-V421 HydrophobicContact CG1-CG2 4.07Å; T417-V421 WeakPolarHBondContact O-CG2 3.28Å; T417-V421 PolarHBondContact O-N 3.39Å; V418-V421 PolarHBondContact O-N 3.45Å; A419-V421 VanDerWaalsContact C-N 3.35Å; A419-V421 PolarHBondContact O-N 3.44Å; V421-S424 WeakPolarHBondContact CA-OG 3.12Å; V421-S424 PolarHBondContact O-OG 2.8Å; V421-T425 VanDerWaalsContact O-CB 3.31Å; V421-T425 WeakPolarHBondContact O-CB 3.42Å; V421-T425 PolarHBondContact O-N 3.05Å; V421-T425 PolarHBondContact O-OG1 2.75Å |
| 422 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.6 | -55.7 | 174.2 | 177.6 | 64.1 | 0 | 0 | 0 | 111.9 | V147 L150 L169 L172 C285 L289 V418 A419 S424 T425 L426 | V147-L422 HydrophobicContact CG1-CB 4.48Å; V147-L422 HydrophobicContact CG1-CD1 4.2Å; L150-L422 HydrophobicContact CD2-CD1 4.4Å; L169-L422 HydrophobicContact CD2-CD2 3.75Å; L172-L422 HydrophobicContact CD2-CD1 4.02Å; L172-L422 HydrophobicContact CD2-CD2 4.03Å; L172-L422 HydrophobicContact CD2-CG 4.45Å; C285-L422 HydrophobicContact CB-CD2 3.63Å; L289-L422 HydrophobicContact CD1-CD2 4.38Å; L289-L422 HydrophobicContact CD2-CD2 4.49Å; L289-L422 HydrophobicContact CG-CD2 4.46Å; V418-L422 WeakPolarHBondContact O-CB 3.41Å; V418-L422 PolarHBondContact O-N 3.27Å; A419-L422 PolarHBondContact O-N 2.98Å; L422-S424 PolarHBondContact O-N 3.04Å; L422-T425 PolarHBondContact O-N 3.17Å; L422-L426 HydrophobicContact CD1-CB 4.43Å; L422-L426 HydrophobicContact CD1-CD1 4.1Å; L422-L426 WeakPolarHBondContact O-CB 3.38Å; L422-L426 PolarHBondContact O-N 2.96Å |
| 423 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | -177.6 | -67.7 | -168 | 0 | 0 | 0 | 111.4 | A288 L289 L292 L302 V329 L330 A419 T425 V427 | A288-L423 HydrophobicContact CB-CD1 4.48Å; A288-L423 HydrophobicContact CB-CD2 4.3Å; L289-L423 HydrophobicContact CD2-CD2 3.53Å; L292-L423 HydrophobicContact CD1-CD1 4.23Å; L292-L423 HydrophobicContact CD1-CD2 3.49Å; L292-L423 VanDerWaalsContact CD1-CD2 3.49Å; L292-L423 HydrophobicContact CD1-CG 4.45Å; L302-L423 HydrophobicContact CD2-CB 4.42Å; L302-L423 HydrophobicContact CD2-CD1 4.19Å; V329-L423 HydrophobicContact CG1-CD1 4.1Å; L330-L423 HydrophobicContact CD2-CD1 3.58Å; L330-L423 HydrophobicContact CD2-CG 4.4Å; L330-L423 HydrophobicContact CG-CD1 4.07Å; A419-L423 WeakPolarHBondContact O-CB 3.45Å; A419-L423 VanDerWaalsContact O-CG 3.26Å; A419-L423 WeakPolarHBondContact O-CG 3.3Å; A419-L423 PolarHBondContact O-N 3.12Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 2.85Å; L423-V427 WeakPolarHBondContact O-CB 3.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.86Å |
| 424 | S | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 179.2 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | L306 V315 T420 V421 L422 R428 | L306-S424 VanDerWaalsContact CD2-CB 3.49Å; V315-S424 WeakPolarHBondContact CB-OG 3.39Å; V315-S424 VanDerWaalsContact CG1-OG 3.26Å; V315-S424 WeakPolarHBondContact CG1-OG 3.39Å; T420-S424 VanDerWaalsContact O-CB 3.25Å; T420-S424 WeakPolarHBondContact O-CB 3.26Å; T420-S424 PolarHBondContact O-N 3.04Å; T420-S424 PolarHBondContact O-OG 3.26Å; V421-S424 WeakPolarHBondContact CA-OG 3.12Å; V421-S424 PolarHBondContact O-OG 2.8Å; L422-S424 PolarHBondContact O-N 3.04Å; S424-R428 WeakPolarHBondContact O-CB 3.46Å; S424-R428 WeakPolarHBondContact O-CD 3.19Å; S424-R428 WeakPolarHBondContact O-CG 3.38Å |
| 425 | T | 97.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -78.1 | -44.5 | -179.9 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | V147 E148 V151 V421 L422 L423 Q429 | V147-T425 HydrophobicContact CG1-CG2 4.07Å; E148-T425 HydrophobicContact CG-CG2 4.06Å; V151-T425 HydrophobicContact CB-CG2 4.28Å; V151-T425 HydrophobicContact CG1-CG2 4.41Å; V151-T425 HydrophobicContact CG2-CG2 4.08Å; V421-T425 VanDerWaalsContact O-CB 3.31Å; V421-T425 WeakPolarHBondContact O-CB 3.42Å; V421-T425 PolarHBondContact O-N 3.05Å; V421-T425 PolarHBondContact O-OG1 2.75Å; L422-T425 PolarHBondContact O-N 3.17Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 2.85Å; T425-Q429 PolarHBondContact O-NE2 2.69Å |
| 426 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.6 | -53 | -173.8 | -171.2 | 153.7 | 0 | 0 | 0 | 111.1 | V151 W154 L289 L422 R428 Q429 L430 L432 | V151-L426 HydrophobicContact CG2-CB 3.88Å; V151-L426 HydrophobicContact CG2-CD1 4.35Å; V151-L426 HydrophobicContact CG2-CG 4.27Å; W154-L426 HydrophobicContact CE3-CD1 3.81Å; W154-L426 HydrophobicContact CH2-CD1 4.48Å; W154-L426 HydrophobicContact CZ3-CD1 3.58Å; L289-L426 HydrophobicContact CD1-CD1 3.87Å; L289-L426 HydrophobicContact CD2-CD1 4.28Å; L422-L426 HydrophobicContact CD1-CB 4.43Å; L422-L426 HydrophobicContact CD1-CD1 4.1Å; L422-L426 WeakPolarHBondContact O-CB 3.38Å; L422-L426 PolarHBondContact O-N 2.96Å; L426-R428 PolarHBondContact O-N 2.75Å; L426-Q429 PolarHBondContact O-N 3.27Å; L426-L430 HydrophobicContact CD2-CB 4.3Å; L426-L430 HydrophobicContact CG-CD1 4.47Å; L426-L430 PolarHBondContact O-N 3.11Å; L426-L432 HydrophobicContact CD2-CD1 3.99Å; L426-L432 HydrophobicContact CD2-CD2 3.43Å; L426-L432 VanDerWaalsContact CD2-CD2 3.43Å; L426-L432 HydrophobicContact CD2-CG 3.81Å |
| 427 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -27.5 | -172.3 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | L292 Q299 L302 Y303 L306 L423 Q429 R461 | L292-V427 HydrophobicContact CD1-CG2 4.24Å; Q299-V427 HydrophobicContact CG-CG1 4.4Å; L302-V427 HydrophobicContact CD2-CG1 4.46Å; L302-V427 HydrophobicContact CD2-CG2 4.03Å; L302-V427 HydrophobicContact CG-CG1 4.34Å; Y303-V427 VanDerWaalsContact CD2-O 3.32Å; Y303-V427 WeakPolarHBondContact CD2-O 3.42Å; L306-V427 HydrophobicContact CD1-CB 3.93Å; L306-V427 HydrophobicContact CD1-CG1 4.12Å; L423-V427 WeakPolarHBondContact O-CB 3.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.86Å; V427-Q429 VanDerWaalsContact C-N 3.3Å; V427-Q429 PolarHBondContact O-N 3.37Å; V427-R461 WeakPolarHBondContact O-CD 3.13Å; V427-R461 PolarHBondContact O-NE 3.39Å |
| 428 | R | 95.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 35 Ų | 35 | 19% | 0.185 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.4 | -26.5 | 173.6 | -74.5 | 177.3 | 66 | -147.7 | 1.8 | 113.5 | L306 G311 S312 D313 S424 L426 | L306-R428 HydrophobicContact CB-CG 3.81Å; L306-R428 HydrophobicContact CD1-CG 4.24Å; G311-R428 PolarHBondContact O-NH2 3.24Å; S312-R428 VanDerWaalsContact C-NH2 3.31Å; S312-R428 PolarHBondContact O-NH2 2.7Å; S312-R428 VanDerWaalsContact O-NH2 3.14Å; D313-R428 PolarHBondContact O-NH1 3.42Å; D313-R428 PolarHBondContact O-NH2 3.24Å; S424-R428 WeakPolarHBondContact O-CB 3.46Å; S424-R428 WeakPolarHBondContact O-CD 3.19Å; S424-R428 WeakPolarHBondContact O-CG 3.38Å; L426-R428 PolarHBondContact O-N 2.75Å |
| 429 | Q | 95.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -108.9 | -30.6 | -172.5 | -64 | -170.2 | 64.4 | 0 | 0 | 113.6 | V151 T425 L426 V427 R461 | V151-Q429 HydrophobicContact CG1-CB 4.41Å; T425-Q429 PolarHBondContact O-NE2 2.69Å; L426-Q429 PolarHBondContact O-N 3.27Å; V427-Q429 VanDerWaalsContact C-N 3.3Å; V427-Q429 PolarHBondContact O-N 3.37Å; Q429-R461 PolarHBondContact O-N 2.84Å |
| 430 | L | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.2 | -172 | -61.9 | 174.8 | 0 | 0 | 0 | 110.5 | V151 W154 K155 L426 V458 S459 R461 | V151-L430 HydrophobicContact CG1-CD1 4.22Å; W154-L430 HydrophobicContact CB-CD1 3.9Å; K155-L430 HydrophobicContact CB-CD2 4.33Å; K155-L430 HydrophobicContact CG-CD2 4.3Å; L426-L430 HydrophobicContact CD2-CB 4.3Å; L426-L430 HydrophobicContact CG-CD1 4.47Å; L426-L430 PolarHBondContact O-N 3.11Å; L430-V458 HydrophobicContact CB-CB 4.46Å; L430-V458 HydrophobicContact CD1-CB 4.45Å; L430-V458 HydrophobicContact CD1-CG2 4.32Å; L430-V458 HydrophobicContact CD2-CG2 4.43Å; L430-S459 CarbonylContact C-O 3.54Å; L430-S459 WeakPolarHBondContact CA-O 3.34Å; L430-R461 PolarHBondContact O-NE 3Å |
| 431 | K | 96.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.3 | 165.9 | -164.7 | 170.7 | -175.6 | 109.6 | 0 | 107.8 | D300 V458 S459 R461 | D300-K431 VanDerWaalsContact CG-NZ 3.31Å; D300-K431 IonicContact OD1-NZ 3.39Å; D300-K431 PolarHBondContact OD1-NZ 2.69Å; D300-K431 IonicContact OD2-NZ 3.05Å; D300-K431 PolarHBondContact OD2-NZ 3.11Å; K431-V458 VanDerWaalsContact O-CA 3.27Å; K431-V458 WeakPolarHBondContact O-CA 3.24Å; K431-S459 PolarHBondContact N-O 2.84Å; K431-S459 PolarHBondContact O-N 2.74Å; K431-R461 HydrophobicContact CB-CG 4.14Å |
| 432 | L | 96.6 | Very high | 92 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137 | 179.7 | -56.2 | 172.9 | 0 | 0 | 0 | 109.6 | L289 L292 Q299 L426 I456 V458 | L289-L432 HydrophobicContact CB-CD1 4.34Å; L289-L432 HydrophobicContact CD2-CD1 3.89Å; L292-L432 HydrophobicContact CB-CD1 3.82Å; L292-L432 HydrophobicContact CD1-CD1 4.46Å; Q299-L432 PolarHBondContact NE2-O 2.76Å; L426-L432 HydrophobicContact CD2-CD1 3.99Å; L426-L432 HydrophobicContact CD2-CD2 3.43Å; L426-L432 VanDerWaalsContact CD2-CD2 3.43Å; L426-L432 HydrophobicContact CD2-CG 3.81Å; L432-I456 HydrophobicContact CD2-CD1 3.64Å; L432-V458 HydrophobicContact CD2-CG1 3.74Å |
| 433 | H | 95.4 | Very high | 91.3 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.6 | 177.4 | -48.8 | -76.5 | 0 | 0 | 0 | 110.8 | I456 T457 S459 | H433-I456 WeakPolarHBondContact O-CB 3.41Å; H433-T457 WeakPolarHBondContact CB-OG1 3Å; H433-T457 PolarHBondContact N-O 2.72Å; H433-T457 PolarHBondContact O-N 3.48Å; H433-T457 VanDerWaalsContact O-N 3.08Å; H433-S459 PolarHBondContact NE2-OG 3.47Å |
| 434 | Q | 93.4 | Very high | 90.5 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 146.7 | 169.1 | -169.6 | -175.4 | -2 | 0 | 0 | 110 | S293 T294 Q438 | S293-Q434 PolarHBondContact O-N 2.95Å; T294-Q434 HydrophobicContact CG2-CB 4.15Å; T294-Q434 VanDerWaalsContact CG2-CD 3.43Å; T294-Q434 HydrophobicContact CG2-CG 3.89Å; T294-Q434 VanDerWaalsContact CG2-OE1 3.26Å; Q434-Q438 PolarHBondContact NE2-O 3.12Å; Q434-Q438 VanDerWaalsContact NE2-O 3.11Å |
| 435 | L | 89.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 133.8 | 165.5 | -75.8 | 163.2 | 0 | 0 | 0 | 110.6 | H162 D437 Q438 W455 T457 | H162-L435 VanDerWaalsContact NE2-CD2 3.34Å; H162-L435 WeakPolarHBondContact NE2-CD2 3.38Å; L435-D437 PolarHBondContact O-N 3.26Å; L435-Q438 HydrophobicContact CB-CB 4.3Å; L435-Q438 PolarHBondContact O-N 3.42Å; L435-W455 HydrophobicContact CD1-CB 3.26Å; L435-W455 HydrophobicContact CD1-CG 4.4Å; L435-T457 HydrophobicContact CD2-CG2 3.9Å |
| 436 | E | 78.4 | Confident | 88.4 | Confident | 183 Ų | 183 | 54.4 Ų | 54.4 | 86% | 0.855 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 135.5 | 172.2 | -63.9 | -179.2 | 174.4 | 0 | 0 | 109.1 | Q438 | E436-Q438 VanDerWaalsContact C-N 3.33Å; E436-Q438 PolarHBondContact O-N 3.27Å |
| 437 | D | 80.2 | Confident | 87.8 | Confident | 167 Ų | 167 | 54.5 Ų | 54.5 | 89% | 0.893 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 0.5 | -179.2 | -50.6 | -40.6 | 0 | 0 | 0 | 118.5 | L435 V439 | L435-D437 PolarHBondContact O-N 3.26Å; D437-V439 PolarHBondContact O-N 3.41Å |
| 438 | Q | 82.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | trans | -82.8 | 118.9 | 175.1 | -173.6 | -177.8 | -115.5 | 0 | 0 | 112.4 | Q434 L435 E436 W455 | Q434-Q438 PolarHBondContact NE2-O 3.12Å; Q434-Q438 VanDerWaalsContact NE2-O 3.11Å; L435-Q438 HydrophobicContact CB-CB 4.3Å; L435-Q438 PolarHBondContact O-N 3.42Å; E436-Q438 VanDerWaalsContact C-N 3.33Å; E436-Q438 PolarHBondContact O-N 3.27Å; Q438-W455 PolarHBondContact NE2-O 3.4Å | ||
| 439 | V | 83.2 | Confident | 87.2 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 75% | 0.745 | 27% | 0.273 | S | S | * | . | trans | -106.1 | 121.2 | 168.1 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | D437 E441 | D437-V439 PolarHBondContact O-N 3.41Å; V439-E441 PolarHBondContact O-N 2.9Å | ||
| 440 | A | 85 | Confident | 87.1 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -83.9 | 102.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W287 H290 | W287-A440 HydrophobicContact CH2-CB 4.47Å; W287-A440 HydrophobicContact CZ3-CB 4.14Å; H290-A440 VanDerWaalsContact CE1-CB 3.47Å; H290-A440 WeakPolarHBondContact CE1-CB 3.31Å | ||
| 441 | E | 86.9 | Confident | 86.7 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | trans | -74.3 | 136 | 171.4 | -69 | -175.1 | -174.7 | 0 | 0 | 110.6 | V439 K451 | V439-E441 PolarHBondContact O-N 2.9Å; E441-K451 HydrophobicContact CB-CB 4Å; E441-K451 HydrophobicContact CB-CD 4.04Å; E441-K451 PolarHBondContact O-N 3.34Å; E441-K451 WeakPolarHBondContact OE2-CD 3.36Å; E441-K451 WeakPolarHBondContact OE2-CE 3.07Å; E441-K451 IonicContact OE2-NZ 2.89Å; E441-K451 PolarHBondContact OE2-NZ 3.08Å | ||
| 442 | V | 87.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 132.9 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | W287 | W287-V442 HydrophobicContact CH2-CB 4.39Å; W287-V442 HydrophobicContact CH2-CG2 3.6Å; W287-V442 HydrophobicContact CZ2-CB 4.44Å; W287-V442 HydrophobicContact CZ2-CG1 4.27Å; W287-V442 HydrophobicContact CZ2-CG2 3.96Å; W287-V442 HydrophobicContact CZ3-CG2 4.38Å |
| 443 | K | 84.9 | Confident | 86.3 | Confident | 61 Ų | 61 | 61 Ų | 61 | 27% | 0.265 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.2 | 164.8 | -168.4 | -173.6 | -171.6 | -164.6 | 0 | 109 | E445 S448 T449 K451 | K443-E445 HydrophobicContact CD-CG 4.06Å; K443-E445 WeakPolarHBondContact CD-OE1 3.46Å; K443-E445 WeakPolarHBondContact CE-OE1 3.46Å; K443-E445 HydrophobicContact CG-CG 4.02Å; K443-E445 IonicContact NZ-OE1 3.67Å; K443-E445 PolarHBondContact NZ-OE1 2.66Å; K443-E445 PolarHBondContact O-N 3.24Å; K443-S448 WeakPolarHBondContact O-CA 3.39Å; K443-T449 PolarHBondContact N-O 2.85Å; K443-T449 PolarHBondContact O-N 3.38Å; K443-K451 HydrophobicContact CB-CB 4.48Å |
| 444 | S | 80.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 92.5 | -177.7 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | F7 S53 H55 | F7-S444 WeakPolarHBondContact CE1-O 3.27Å; S53-S444 VanDerWaalsContact CB-O 3.31Å; S53-S444 WeakPolarHBondContact CB-O 3.42Å; H55-S444 PolarHBondContact CD2-OG 3Å; H55-S444 VanDerWaalsContact CD2-OG 3.31Å |
| 445 | E | 75.6 | Confident | 86.3 | Confident | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -101.4 | -153.4 | 172.2 | -41.4 | -155.4 | 140.4 | 0 | 0 | 111.3 | F7 P341 K443 V447 | F7-E445 HydrophobicContact CE1-CB 4.36Å; F7-E445 HydrophobicContact CE1-CG 4.17Å; F7-E445 HydrophobicContact CE2-CB 4.49Å; F7-E445 HydrophobicContact CE2-CG 3.89Å; F7-E445 WeakPolarHBondContact CE2-OE1 3.39Å; F7-E445 HydrophobicContact CZ-CB 3.58Å; F7-E445 HydrophobicContact CZ-CG 3.25Å; F7-E445 WeakPolarHBondContact CZ-OE1 3.49Å; P341-E445 WeakPolarHBondContact CG-O 3.14Å; K443-E445 HydrophobicContact CD-CG 4.06Å; K443-E445 WeakPolarHBondContact CD-OE1 3.46Å; K443-E445 WeakPolarHBondContact CE-OE1 3.46Å; K443-E445 HydrophobicContact CG-CG 4.02Å; K443-E445 IonicContact NZ-OE1 3.67Å; K443-E445 PolarHBondContact NZ-OE1 2.66Å; K443-E445 PolarHBondContact O-N 3.24Å; E445-V447 PolarHBondContact O-N 3.38Å |
| 446 | L | 75.1 | Confident | 86.6 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -51 | -40.4 | 164 | -78.4 | 174.1 | 0 | 0 | 0 | 112 | F11 F100 M103 I206 | F11-L446 HydrophobicContact CD2-CD2 3.35Å; F11-L446 HydrophobicContact CD2-CG 4.38Å; F11-L446 HydrophobicContact CE2-CD2 3.37Å; F100-L446 HydrophobicContact CE2-CD2 4.26Å; M103-L446 HydrophobicContact SD-CD2 3.96Å; I206-L446 HydrophobicContact CG2-CD1 3.79Å |
| 447 | V | 85.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -124.9 | 130.4 | 172.5 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | W203 I279 I280 N283 L339 E445 T449 | W203-V447 HydrophobicContact CZ2-CG2 4.34Å; I279-V447 HydrophobicContact CG2-CB 3.92Å; I279-V447 HydrophobicContact CG2-CG1 4.16Å; I279-V447 HydrophobicContact CG2-CG2 3.98Å; I280-V447 HydrophobicContact CG1-CG2 3.84Å; N283-V447 HydrophobicContact CB-CG1 3.95Å; L339-V447 HydrophobicContact CD1-CG1 3.76Å; L339-V447 HydrophobicContact CG-CG1 4.22Å; L339-V447 CarbonylContact O-C 3.47Å; L339-V447 VanDerWaalsContact O-CA 3.22Å; L339-V447 WeakPolarHBondContact O-CA 3.35Å; L339-V447 WeakPolarHBondContact O-CG1 3.32Å; E445-V447 PolarHBondContact O-N 3.38Å; V447-T449 WeakPolarHBondContact O-CG2 3.46Å; V447-T449 PolarHBondContact O-N 2.94Å |
| 448 | S | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 121.8 | 176.5 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | W287 A337 K338 L339 K443 | W287-S448 PolarHBondContact NE1-O 3.33Å; A337-S448 WeakPolarHBondContact O-CB 3.23Å; A337-S448 PolarHBondContact O-OG 3.06Å; K338-S448 WeakPolarHBondContact O-CB 3.4Å; K338-S448 PolarHBondContact O-OG 3.25Å; L339-S448 PolarHBondContact O-N 3.41Å; K443-S448 WeakPolarHBondContact O-CA 3.39Å |
| 449 | T | 91.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 42 Ų | 42 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 158 | -179 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | N283 K443 V447 | N283-T449 WeakPolarHBondContact ND2-CG2 3.4Å; N283-T449 WeakPolarHBondContact OD1-CA 3.44Å; N283-T449 WeakPolarHBondContact OD1-CB 3.31Å; N283-T449 VanDerWaalsContact OD1-CG2 3.27Å; N283-T449 WeakPolarHBondContact OD1-CG2 3.42Å; K443-T449 PolarHBondContact N-O 2.85Å; K443-T449 PolarHBondContact O-N 3.38Å; V447-T449 WeakPolarHBondContact O-CG2 3.46Å; V447-T449 PolarHBondContact O-N 2.94Å |
| 450 | P | 92.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 139 | 164.3 | -22.9 | 35.6 | 0 | 0 | 0 | 110 | I286 W287 D452 T454 | I286-P450 HydrophobicContact CG2-CG 3.63Å; W287-P450 HydrophobicContact CH2-CB 4.43Å; W287-P450 HydrophobicContact CH2-CG 4.07Å; W287-P450 HydrophobicContact CZ2-CB 4.47Å; W287-P450 HydrophobicContact CZ2-CG 3.88Å; P450-D452 VanDerWaalsContact C-N 3.28Å; P450-D452 WeakPolarHBondContact CB-O 3.11Å; P450-D452 PolarHBondContact O-N 2.91Å; P450-T454 WeakPolarHBondContact CB-OG1 3.11Å |
| 451 | K | 88.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -63.6 | -38.3 | 176.9 | -176.6 | -179.3 | 171.2 | -177.7 | 0 | 112 | E441 K443 | E441-K451 HydrophobicContact CB-CB 4Å; E441-K451 HydrophobicContact CB-CD 4.04Å; E441-K451 PolarHBondContact O-N 3.34Å; E441-K451 WeakPolarHBondContact OE2-CD 3.36Å; E441-K451 WeakPolarHBondContact OE2-CE 3.07Å; E441-K451 IonicContact OE2-NZ 2.89Å; E441-K451 PolarHBondContact OE2-NZ 3.08Å; K443-K451 HydrophobicContact CB-CB 4.48Å |
| 452 | D | 91.1 | Very high | 88.9 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -127 | 168.6 | -178.6 | -62.7 | -66.7 | 0 | 0 | 0 | 110.7 | P450 T454 | P450-D452 VanDerWaalsContact C-N 3.28Å; P450-D452 WeakPolarHBondContact CB-O 3.11Å; P450-D452 PolarHBondContact O-N 2.91Å; D452-T454 PolarHBondContact O-N 3.07Å |
| 453 | E | 94.5 | Very high | 87.4 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | trans | -57 | 129.4 | 173.9 | -178.7 | 56.3 | -91.5 | 0 | 0 | 110.2 | P164 L165 C166 A167 W455 | P164-E453 VanDerWaalsContact CB-CD 3.43Å; P164-E453 HydrophobicContact CB-CG 3.77Å; P164-E453 WeakPolarHBondContact CB-OE2 3.46Å; L165-E453 PolarHBondContact N-OE1 2.63Å; L165-E453 VanDerWaalsContact N-OE1 3.17Å; C166-E453 WeakPolarHBondContact CA-OE1 3.36Å; C166-E453 WeakPolarHBondContact CB-OE1 3.29Å; C166-E453 PolarHBondContact N-OE1 3.1Å; C166-E453 PolarHBondContact SG-OE1 3.17Å; A167-E453 WeakPolarHBondContact CB-OE2 3.35Å; A167-E453 PolarHBondContact N-OE2 3.22Å; E453-W455 HydrophobicContact CB-CZ2 4.23Å; E453-W455 HydrophobicContact CG-CD2 4.06Å; E453-W455 VanDerWaalsContact CG-CE2 3.43Å; E453-W455 HydrophobicContact CG-CH2 4.27Å; E453-W455 HydrophobicContact CG-CZ2 3.55Å; E453-W455 VanDerWaalsContact O-CD1 3.23Å; E453-W455 PolarHBondContact O-NE1 2.93Å | ||
| 454 | T | 94.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | trans | -100.2 | 122.5 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | L165 H290 P450 D452 | L165-T454 WeakPolarHBondContact CB-O 3.42Å; L165-T454 HydrophobicContact CD1-CG2 4.03Å; L165-T454 WeakPolarHBondContact CG-O 2.93Å; L165-T454 PolarHBondContact N-O 2.98Å; H290-T454 HydrophobicContact CB-CG2 4.46Å; P450-T454 WeakPolarHBondContact CB-OG1 3.11Å; D452-T454 PolarHBondContact O-N 3.07Å | ||
| 455 | W | 95.4 | Very high | 87.9 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 38% | 0.375 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.4 | -173.6 | -58.1 | 90 | 0 | 0 | 0 | 111.3 | H162 I163 P164 L435 Q438 E453 | H162-W455 HydrophobicContact CB-CE3 3.86Å; H162-W455 HydrophobicContact CB-CZ3 4.41Å; I163-W455 WeakPolarHBondContact O-CA 3.22Å; P164-W455 HydrophobicContact CB-CE3 3.92Å; P164-W455 HydrophobicContact CB-CH2 3.84Å; P164-W455 HydrophobicContact CB-CZ2 4.43Å; P164-W455 HydrophobicContact CB-CZ3 3.56Å; P164-W455 HydrophobicContact CG-CH2 4.38Å; P164-W455 HydrophobicContact CG-CZ3 3.92Å; L435-W455 HydrophobicContact CD1-CB 3.26Å; L435-W455 HydrophobicContact CD1-CG 4.4Å; Q438-W455 PolarHBondContact NE2-O 3.4Å; E453-W455 HydrophobicContact CB-CZ2 4.23Å; E453-W455 HydrophobicContact CG-CD2 4.06Å; E453-W455 VanDerWaalsContact CG-CE2 3.43Å; E453-W455 HydrophobicContact CG-CH2 4.27Å; E453-W455 HydrophobicContact CG-CZ2 3.55Å; E453-W455 VanDerWaalsContact O-CD1 3.23Å; E453-W455 PolarHBondContact O-NE1 2.93Å |
| 456 | I | 95.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167.7 | 171.1 | 60.6 | 159.2 | 0 | 0 | 0 | 110.3 | W154 I163 L165 L432 H433 V458 | W154-I456 HydrophobicContact CZ3-CD1 4.13Å; I163-I456 HydrophobicContact CB-CG1 4.11Å; I163-I456 PolarHBondContact N-O 2.68Å; I163-I456 PolarHBondContact O-N 3.19Å; I163-I456 VanDerWaalsContact O-N 3.13Å; L165-I456 HydrophobicContact CD1-CG1 4.39Å; L165-I456 HydrophobicContact CD1-CG2 3.74Å; L165-I456 HydrophobicContact CD2-CD1 3.58Å; L165-I456 HydrophobicContact CD2-CG1 3.65Å; L165-I456 HydrophobicContact CG-CD1 4.32Å; L165-I456 HydrophobicContact CG-CG1 3.96Å; L165-I456 HydrophobicContact CG-CG2 4.13Å; L432-I456 HydrophobicContact CD2-CD1 3.64Å; H433-I456 WeakPolarHBondContact O-CB 3.41Å; I456-V458 HydrophobicContact CD1-CG1 3.95Å |
| 457 | T | 96.3 | Very high | 89.4 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 161.1 | 162 | 57.3 | 0 | 0 | 0 | 0 | 110 | H433 L435 | H433-T457 WeakPolarHBondContact CB-OG1 3Å; H433-T457 PolarHBondContact N-O 2.72Å; H433-T457 PolarHBondContact O-N 3.48Å; H433-T457 VanDerWaalsContact O-N 3.08Å; L435-T457 HydrophobicContact CD2-CG2 3.9Å |
| 458 | V | 96.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.4 | 179.4 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | W154 I163 L430 K431 L432 I456 | W154-V458 HydrophobicContact CE3-CG1 4.37Å; I163-V458 HydrophobicContact CD1-CB 4.4Å; I163-V458 HydrophobicContact CD1-CG1 3.9Å; I163-V458 HydrophobicContact CD1-CG2 3.64Å; L430-V458 HydrophobicContact CB-CB 4.46Å; L430-V458 HydrophobicContact CD1-CB 4.45Å; L430-V458 HydrophobicContact CD1-CG2 4.32Å; L430-V458 HydrophobicContact CD2-CG2 4.43Å; K431-V458 VanDerWaalsContact O-CA 3.27Å; K431-V458 WeakPolarHBondContact O-CA 3.24Å; L432-V458 HydrophobicContact CD2-CG1 3.74Å; I456-V458 HydrophobicContact CD1-CG1 3.95Å |
| 459 | S | 95.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 153.9 | 169.8 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | L430 K431 H433 R461 | L430-S459 CarbonylContact C-O 3.54Å; L430-S459 WeakPolarHBondContact CA-O 3.34Å; K431-S459 PolarHBondContact N-O 2.84Å; K431-S459 PolarHBondContact O-N 2.74Å; H433-S459 PolarHBondContact NE2-OG 3.47Å; S459-R461 PolarHBondContact O-N 2.67Å |
| 460 | N | 94.1 | Very high | 89.5 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 136.8 | 174.2 | -73.8 | -66 | 0 | 0 | 0 | 110.5 | K155 | K155-N460 VanDerWaalsContact CG-OD1 3.29Å; K155-N460 WeakPolarHBondContact CG-OD1 3.33Å |
| 461 | R | 89.4 | Confident | 89.2 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 128 | 165.7 | -76.6 | -167.9 | -179.2 | -107.3 | -5.6 | 108.7 | D300 Y303 V427 Q429 L430 K431 S459 S463 | D300-R461 IonicContact OD1-CZ 3.01Å; D300-R461 IonicContact OD1-NH1 2.68Å; D300-R461 PolarHBondContact OD1-NH1 2.77Å; D300-R461 IonicContact OD1-NH2 3.59Å; D300-R461 PolarHBondContact OD1-NH2 3.43Å; Y303-R461 VanDerWaalsContact CD2-CD 3.45Å; Y303-R461 VanDerWaalsContact CE2-CD 3.49Å; V427-R461 WeakPolarHBondContact O-CD 3.13Å; V427-R461 PolarHBondContact O-NE 3.39Å; Q429-R461 PolarHBondContact O-N 2.84Å; L430-R461 PolarHBondContact O-NE 3Å; K431-R461 HydrophobicContact CB-CG 4.14Å; S459-R461 PolarHBondContact O-N 2.67Å; R461-S463 PolarHBondContact O-N 3.01Å |
| 462 | K | 72.7 | Confident | 89.3 | Confident | 200 Ų | 200 | 67.9 Ų | 67.9 | 87% | 0.87 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 126.5 | 171.9 | -64.3 | -177.3 | -179.1 | 179.6 | 0 | 107.5 | ||
| 463 | S | 56.1 | Low | 89.1 | Confident | 176 Ų | 176 | 64 Ų | 64 | 100% | 1.231 | 33% | 0.333 | S | S | * | . | trans | -62.6 | 0 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | R461 | R461-S463 PolarHBondContact O-N 3.01Š|
Retrieved 463 of 463 residues in 418.4 ms
(Link to these results)