| 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 | 79.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 57.6 Ų | 57.6 | 44% | 0.443 | 29% | 0.294 | S | S | . | . | 0 | -64.6 | 0 | -70.2 | -176.7 | -72.8 | 0 | 0 | 110.7 | N3 Q4 L5 V35 G38 D40 Y43 | M1-N3 PolarHBondContact O-N 3Å; M1-Q4 WeakPolarHBondContact O-CA 3.25Å; M1-Q4 WeakPolarHBondContact O-CB 3.29Å; M1-Q4 PolarHBondContact O-N 2.78Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-V35 HydrophobicContact CB-CG1 4.41Å; M1-G38 VanDerWaalsContact SD-CA 3.59Å; M1-D40 HydrophobicContact CE-CB 3.46Å; M1-D40 VanDerWaalsContact CE-CB 3.46Å; M1-D40 HydrophobicContact SD-CB 3.92Å; M1-Y43 HydrophobicContact CB-CD2 3.71Å; M1-Y43 HydrophobicContact CB-CE2 4.41Å; M1-Y43 HydrophobicContact CB-CG 4.31Å; M1-Y43 HydrophobicContact CE-CD2 4.27Å; M1-Y43 HydrophobicContact SD-CD2 4.42Å | |||
| 2 | L | 81.7 | Confident | 83.7 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -50.2 | -48.1 | 178.5 | -176.4 | 62.4 | 0 | 0 | 0 | 114 | Q4 L5 I6 Y43 | L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 2.92Å; L2-L5 WeakPolarHBondContact O-CB 3.35Å; L2-L5 PolarHBondContact O-N 2.85Å; L2-L5 VanDerWaalsContact O-N 3.1Å; L2-I6 HydrophobicContact CD1-CD1 4.28Å; L2-I6 HydrophobicContact CD1-CG1 4.43Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.41Å; L2-I6 PolarHBondContact O-N 3.42Å; L2-Y43 HydrophobicContact CB-CE1 4.38Å; L2-Y43 HydrophobicContact CB-CE2 4.43Å; L2-Y43 HydrophobicContact CD1-CE1 3.94Å |
| 3 | N | 84 | Confident | 83 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.8 | -37.9 | 176.1 | -72.4 | 0.7 | 0 | 0 | 0 | 113.3 | M1 I6 L7 | M1-N3 PolarHBondContact O-N 3Å; N3-I6 PolarHBondContact O-N 3.14Å; N3-L7 VanDerWaalsContact O-CG 3.28Å; N3-L7 WeakPolarHBondContact O-CG 3.31Å; N3-L7 PolarHBondContact O-N 3.49Å |
| 4 | Q | 85.3 | Confident | 81.8 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.9 | -34.9 | 177.6 | -68.1 | -64.1 | 19.7 | 0 | 0 | 111.8 | M1 L2 L7 C8 E34 V35 | M1-Q4 WeakPolarHBondContact O-CA 3.25Å; M1-Q4 WeakPolarHBondContact O-CB 3.29Å; M1-Q4 PolarHBondContact O-N 2.78Å; L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 2.92Å; Q4-L7 PolarHBondContact O-N 3.39Å; Q4-C8 WeakPolarHBondContact O-CB 3.44Å; Q4-C8 PolarHBondContact O-N 3.23Å; Q4-E34 PolarHBondContact NE2-OE2 3.23Å; Q4-V35 HydrophobicContact CB-CG2 3.54Å |
| 5 | L | 84.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 172.6 | -74.7 | 170.5 | 0 | 0 | 0 | 112 | M1 L2 L7 C8 E9 V35 Y43 E46 A47 L50 R84 | M1-L5 PolarHBondContact O-N 3.38Å; L2-L5 WeakPolarHBondContact O-CB 3.35Å; L2-L5 PolarHBondContact O-N 2.85Å; L2-L5 VanDerWaalsContact O-N 3.1Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.04Å; L5-C8 VanDerWaalsContact O-CB 3.3Å; L5-C8 WeakPolarHBondContact O-CB 3.31Å; L5-C8 PolarHBondContact O-N 2.98Å; L5-C8 VanDerWaalsContact O-N 3.15Å; L5-E9 PolarHBondContact O-N 3.37Å; L5-V35 HydrophobicContact CD1-CG1 4.17Å; L5-V35 HydrophobicContact CD2-CB 4.28Å; L5-V35 HydrophobicContact CD2-CG1 3.93Å; L5-V35 HydrophobicContact CD2-CG2 4.1Å; L5-V35 HydrophobicContact CG-CB 4.37Å; L5-V35 HydrophobicContact CG-CG1 3.87Å; L5-V35 HydrophobicContact CG-CG2 3.85Å; L5-Y43 HydrophobicContact CD1-CD1 3.46Å; L5-Y43 VanDerWaalsContact CD1-CD1 3.46Å; L5-Y43 HydrophobicContact CD1-CE1 4.36Å; L5-Y43 HydrophobicContact CD1-CG 3.8Å; L5-E46 HydrophobicContact CD1-CB 4.24Å; L5-E46 HydrophobicContact CD2-CB 4.37Å; L5-A47 HydrophobicContact CD2-CB 3.83Å; L5-L50 HydrophobicContact CD2-CD1 4.03Å; L5-R84 VanDerWaalsContact CB-NH2 3.28Å |
| 6 | I | 84.9 | Confident | 78.4 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 32% | 0.323 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.4 | -65 | 167.4 | 0 | 0 | 0 | 110.2 | L2 N3 C8 E9 N10 | L2-I6 HydrophobicContact CD1-CD1 4.28Å; L2-I6 HydrophobicContact CD1-CG1 4.43Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.41Å; L2-I6 PolarHBondContact O-N 3.42Å; N3-I6 PolarHBondContact O-N 3.14Å; I6-C8 VanDerWaalsContact C-N 3.3Å; I6-C8 PolarHBondContact O-N 3.44Å; I6-E9 PolarHBondContact O-N 3.1Å; I6-N10 VanDerWaalsContact O-CG 3.24Å; I6-N10 PolarHBondContact O-N 2.96Å; I6-N10 PolarHBondContact O-OD1 2.98Å |
| 7 | L | 86.1 | Confident | 76.7 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 173.5 | -71.7 | 172 | 0 | 0 | 0 | 112.3 | N3 Q4 L5 E11 Y31 | N3-L7 VanDerWaalsContact O-CG 3.28Å; N3-L7 WeakPolarHBondContact O-CG 3.31Å; N3-L7 PolarHBondContact O-N 3.49Å; Q4-L7 PolarHBondContact O-N 3.39Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.04Å; L7-E11 WeakPolarHBondContact O-CG 3.47Å; L7-E11 PolarHBondContact O-N 2.87Å; L7-E11 VanDerWaalsContact O-N 3.17Å; L7-Y31 HydrophobicContact CB-CD2 3.98Å; L7-Y31 HydrophobicContact CB-CE2 4.02Å; L7-Y31 HydrophobicContact CB-CG 4.33Å; L7-Y31 HydrophobicContact CD1-CE1 4.42Å |
| 8 | C | 85.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | Q4 L5 I6 L12 A28 L50 | Q4-C8 WeakPolarHBondContact O-CB 3.44Å; Q4-C8 PolarHBondContact O-N 3.23Å; L5-C8 VanDerWaalsContact O-CB 3.3Å; L5-C8 WeakPolarHBondContact O-CB 3.31Å; L5-C8 PolarHBondContact O-N 2.98Å; L5-C8 VanDerWaalsContact O-N 3.15Å; I6-C8 VanDerWaalsContact C-N 3.3Å; I6-C8 PolarHBondContact O-N 3.44Å; C8-L12 VanDerWaalsContact O-CG 3.28Å; C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.31Å; C8-A28 PolarHBondContact SG-O 2.64Å; C8-L50 HydrophobicContact CB-CD1 4.4Å |
| 9 | E | 84.2 | Confident | 75.3 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.1 | -78.5 | 167.7 | -157.8 | 0 | 0 | 112.2 | L5 I6 E11 L12 E13 L50 R84 I88 | L5-E9 PolarHBondContact O-N 3.37Å; I6-E9 PolarHBondContact O-N 3.1Å; E9-E11 VanDerWaalsContact C-N 3.26Å; E9-E11 PolarHBondContact O-N 3.35Å; E9-L12 CarbonylContact O-C 3.5Å; E9-L12 WeakPolarHBondContact O-CA 3.28Å; E9-L12 WeakPolarHBondContact O-CB 3.44Å; E9-L12 PolarHBondContact O-N 3.49Å; E9-E13 PolarHBondContact O-N 3.24Å; E9-L50 HydrophobicContact CG-CD1 4.01Å; E9-L50 HydrophobicContact CG-CD2 4.2Å; E9-R84 VanDerWaalsContact CD-NE 3.29Å; E9-R84 IonicContact OE1-CZ 2.78Å; E9-R84 IonicContact OE1-NE 2.73Å; E9-R84 PolarHBondContact OE1-NE 3.47Å; E9-R84 IonicContact OE1-NH2 2.65Å; E9-R84 PolarHBondContact OE1-NH2 3.17Å; E9-R84 IonicContact OE2-CZ 3.02Å; E9-R84 IonicContact OE2-NE 2.94Å; E9-R84 PolarHBondContact OE2-NE 3.35Å; E9-R84 IonicContact OE2-NH2 2.69Å; E9-I88 WeakPolarHBondContact OE1-CD1 3.42Å; E9-I88 WeakPolarHBondContact OE1-CG1 3.37Å |
| 10 | N | 83.3 | Confident | 75.3 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 178.4 | -67.1 | -5.3 | 0 | 0 | 0 | 111.9 | I6 L12 E13 | I6-N10 VanDerWaalsContact O-CG 3.24Å; I6-N10 PolarHBondContact O-N 2.96Å; I6-N10 PolarHBondContact O-OD1 2.98Å; N10-L12 PolarHBondContact O-N 2.99Å; N10-E13 PolarHBondContact O-N 2.99Å |
| 11 | E | 83.7 | Confident | 75.4 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.9 | 174.3 | -68.5 | -77.1 | -178.6 | 0 | 0 | 113.1 | L7 E9 S24 K27 A28 Y31 | L7-E11 WeakPolarHBondContact O-CG 3.47Å; L7-E11 PolarHBondContact O-N 2.87Å; L7-E11 VanDerWaalsContact O-N 3.17Å; E9-E11 VanDerWaalsContact C-N 3.26Å; E9-E11 PolarHBondContact O-N 3.35Å; E11-S24 WeakPolarHBondContact O-CB 3.4Å; E11-S24 WeakPolarHBondContact OE2-CA 3.45Å; E11-S24 VanDerWaalsContact OE2-CB 3.24Å; E11-S24 WeakPolarHBondContact OE2-CB 3.36Å; E11-S24 PolarHBondContact OE2-OG 3.37Å; E11-K27 HydrophobicContact CG-CB 4.25Å; E11-K27 WeakPolarHBondContact OE1-CD 3.25Å; E11-A28 HydrophobicContact CB-CB 3.87Å; E11-Y31 HydrophobicContact CG-CD2 4.44Å; E11-Y31 HydrophobicContact CG-CE2 4.13Å |
| 12 | L | 82.1 | Confident | 75.4 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.7 | 175.8 | -67.9 | 170.4 | 0 | 0 | 0 | 113.4 | C8 E9 N10 L20 L25 A28 L50 K53 I54 L57 | C8-L12 VanDerWaalsContact O-CG 3.28Å; C8-L12 WeakPolarHBondContact O-CG 3.4Å; C8-L12 PolarHBondContact O-N 3.31Å; E9-L12 CarbonylContact O-C 3.5Å; E9-L12 WeakPolarHBondContact O-CA 3.28Å; E9-L12 WeakPolarHBondContact O-CB 3.44Å; E9-L12 PolarHBondContact O-N 3.49Å; N10-L12 PolarHBondContact O-N 2.99Å; L12-L20 HydrophobicContact CD2-CD2 4.34Å; L12-L20 WeakPolarHBondContact O-CD1 3.44Å; L12-L25 HydrophobicContact CD2-CD2 4.04Å; L12-A28 HydrophobicContact CD1-CB 4.4Å; L12-A28 HydrophobicContact CD2-CB 3.97Å; L12-A28 HydrophobicContact CG-CB 3.86Å; L12-L50 HydrophobicContact CD1-CD2 4.1Å; L12-K53 HydrophobicContact CD1-CD 4.49Å; L12-I54 HydrophobicContact CD1-CD1 4.19Å; L12-I54 HydrophobicContact CD1-CG1 3.97Å; L12-I54 HydrophobicContact CD2-CG1 3.73Å; L12-I54 HydrophobicContact CG-CG1 4.41Å; L12-L57 HydrophobicContact CD2-CD1 4.11Å |
| 13 | E | 73.5 | Confident | 75.5 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -73.8 | 129.3 | 168.7 | -66.8 | -173.1 | 162.2 | 0 | 0 | 109.4 | E9 N10 | E9-E13 PolarHBondContact O-N 3.24Å; N10-E13 PolarHBondContact O-N 2.99Å |
| 14 | F | 66.3 | Low | 75.5 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.2 | 174.3 | -70.5 | -90.8 | 0 | 0 | 0 | 108.8 | G18 L20 L57 P153 | F14-G18 VanDerWaalsContact CD1-O 3.29Å; F14-G18 WeakPolarHBondContact CD1-O 3.25Å; F14-L20 HydrophobicContact CD1-CB 4.17Å; F14-L20 HydrophobicContact CD1-CD1 3.81Å; F14-L20 HydrophobicContact CD2-CD1 4.08Å; F14-L20 HydrophobicContact CE1-CB 4.17Å; F14-L20 HydrophobicContact CE1-CD1 3.89Å; F14-L20 HydrophobicContact CE2-CD1 4.14Å; F14-L20 HydrophobicContact CG-CD1 3.93Å; F14-L20 HydrophobicContact CZ-CD1 4.05Å; F14-L57 HydrophobicContact CZ-CD2 4.11Å; F14-P153 HydrophobicContact CD2-CG 3.98Å; F14-P153 HydrophobicContact CE2-CG 4.34Å; F14-P153 HydrophobicContact CG-CG 4.46Å |
| 15 | N | 58.3 | Low | 75.5 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.353 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 170.8 | 172.7 | 58.3 | 22.9 | 0 | 0 | 0 | 110.7 | Q17 G18 E19 | N15-Q17 PolarHBondContact O-N 3.38Å; N15-Q17 PolarHBondContact OD1-N 3.21Å; N15-G18 PolarHBondContact O-N 2.99Å; N15-G18 PolarHBondContact OD1-N 2.92Å; N15-E19 PolarHBondContact N-O 3.16Å; N15-E19 VanDerWaalsContact N-O 3.1Å; N15-E19 PolarHBondContact ND2-O 3.43Å; N15-E19 WeakPolarHBondContact OD1-CA 3.38Å; N15-E19 PolarHBondContact OD1-N 3.36Å; N15-E19 PolarHBondContact OD1-O 3.02Å |
| 16 | D | 52 | Low | 75.7 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 90% | 0.898 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.5 | -176.7 | -67.5 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 17 | Q | 48.6 | Very low | 75.9 | Confident | 145 Ų | 145 | 73.8 Ų | 73.8 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5 | 176.7 | -62.3 | -174.6 | -5.9 | 0 | 0 | 113.5 | N15 E19 | N15-Q17 PolarHBondContact O-N 3.38Å; N15-Q17 PolarHBondContact OD1-N 3.21Å; Q17-E19 VanDerWaalsContact C-N 3.31Å |
| 18 | G | 61.9 | Low | 76 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 76.5 | 18.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | F14 N15 | F14-G18 VanDerWaalsContact CD1-O 3.29Å; F14-G18 WeakPolarHBondContact CD1-O 3.25Å; N15-G18 PolarHBondContact O-N 2.99Å; N15-G18 PolarHBondContact OD1-N 2.92Å |
| 19 | E | 66.1 | Low | 76.3 | Confident | 121 Ų | 121 | 73 Ų | 73 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | trans | -106.4 | 157 | 179.1 | -62.5 | -169.3 | 167.1 | 0 | 0 | 111 | N15 Q17 | N15-E19 PolarHBondContact N-O 3.16Å; N15-E19 VanDerWaalsContact N-O 3.1Å; N15-E19 PolarHBondContact ND2-O 3.43Å; N15-E19 WeakPolarHBondContact OD1-CA 3.38Å; N15-E19 PolarHBondContact OD1-N 3.36Å; N15-E19 PolarHBondContact OD1-O 3.02Å; Q17-E19 VanDerWaalsContact C-N 3.31Å | ||
| 20 | L | 74 | Confident | 76.6 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | trans | -129.1 | 111.1 | 178.3 | -140.3 | 132.8 | 0 | 0 | 0 | 108.9 | L12 F14 L25 | L12-L20 HydrophobicContact CD2-CD2 4.34Å; L12-L20 WeakPolarHBondContact O-CD1 3.44Å; F14-L20 HydrophobicContact CD1-CB 4.17Å; F14-L20 HydrophobicContact CD1-CD1 3.81Å; F14-L20 HydrophobicContact CD2-CD1 4.08Å; F14-L20 HydrophobicContact CE1-CB 4.17Å; F14-L20 HydrophobicContact CE1-CD1 3.89Å; F14-L20 HydrophobicContact CE2-CD1 4.14Å; F14-L20 HydrophobicContact CG-CD1 3.93Å; F14-L20 HydrophobicContact CZ-CD1 4.05Å; L20-L25 HydrophobicContact CD2-CD2 3.64Å; L20-L25 HydrophobicContact CD2-CG 3.62Å | ||
| 21 | P | 77.8 | Confident | 77 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 41% | 0.409 | 38% | 0.382 | S | S | . | . | trans | -57.5 | 140.5 | -177.4 | -24.1 | 32.6 | 0 | 0 | 0 | 111.9 | E23 S24 L25 | P21-E23 PolarHBondContact O-N 2.99Å; P21-S24 WeakPolarHBondContact O-CB 3.19Å; P21-S24 PolarHBondContact O-N 2.93Å; P21-L25 PolarHBondContact O-N 3.47Å; P21-L25 VanDerWaalsContact O-N 3.15Å | ||
| 22 | L | 79.4 | Confident | 77.2 | Confident | 145 Ų | 145 | 73.2 Ų | 73.2 | 76% | 0.759 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.1 | -32.6 | 179.2 | -149.8 | 86.3 | 0 | 0 | 0 | 112 | L25 S26 | L22-L25 PolarHBondContact O-N 2.71Å; L22-S26 PolarHBondContact O-N 3.47Å; L22-S26 VanDerWaalsContact O-N 3.13Å |
| 23 | E | 83.2 | Confident | 77.7 | Confident | 140 Ų | 140 | 77 Ų | 77 | 65% | 0.654 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 174.4 | -68 | -172.5 | 177.6 | 0 | 0 | 112.2 | P21 L25 S26 K27 | P21-E23 PolarHBondContact O-N 2.99Å; E23-L25 VanDerWaalsContact C-N 3.35Å; E23-L25 PolarHBondContact O-N 3.37Å; E23-S26 PolarHBondContact O-N 3.48Å; E23-S26 VanDerWaalsContact O-N 3.12Å; E23-S26 PolarHBondContact O-OG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.29Å |
| 24 | S | 85.1 | Confident | 78.4 | Confident | 24 Ų | 24 | 74 Ų | 74 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.8 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | E11 P21 S26 K27 A28 | E11-S24 WeakPolarHBondContact O-CB 3.4Å; E11-S24 WeakPolarHBondContact OE2-CA 3.45Å; E11-S24 VanDerWaalsContact OE2-CB 3.24Å; E11-S24 WeakPolarHBondContact OE2-CB 3.36Å; E11-S24 PolarHBondContact OE2-OG 3.37Å; P21-S24 WeakPolarHBondContact O-CB 3.19Å; P21-S24 PolarHBondContact O-N 2.93Å; S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3.35Å; S24-K27 PolarHBondContact O-N 2.96Å; S24-A28 WeakPolarHBondContact O-CB 3.49Å; S24-A28 PolarHBondContact O-N 2.66Å |
| 25 | L | 85.7 | Confident | 79.5 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 171.9 | -75.6 | 170.8 | 0 | 0 | 0 | 112.5 | L12 L20 P21 L22 E23 K29 L57 Q58 | L12-L25 HydrophobicContact CD2-CD2 4.04Å; L20-L25 HydrophobicContact CD2-CD2 3.64Å; L20-L25 HydrophobicContact CD2-CG 3.62Å; P21-L25 PolarHBondContact O-N 3.47Å; P21-L25 VanDerWaalsContact O-N 3.15Å; L22-L25 PolarHBondContact O-N 2.71Å; E23-L25 VanDerWaalsContact C-N 3.35Å; E23-L25 PolarHBondContact O-N 3.37Å; L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 2.89Å; L25-L57 HydrophobicContact CD1-CB 4.38Å; L25-L57 HydrophobicContact CD2-CB 3.69Å; L25-L57 HydrophobicContact CD2-CD1 3.92Å; L25-L57 HydrophobicContact CD2-CG 4.48Å; L25-Q58 HydrophobicContact CD1-CG 4.34Å |
| 26 | S | 87.4 | Confident | 80.8 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 47% | 0.469 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.5 | -38.5 | 178.9 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | L22 E23 S24 R30 | L22-S26 PolarHBondContact O-N 3.47Å; L22-S26 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-N 3.48Å; E23-S26 VanDerWaalsContact O-N 3.12Å; E23-S26 PolarHBondContact O-OG 3.31Å; S24-S26 VanDerWaalsContact C-N 3.28Å; S24-S26 PolarHBondContact O-N 3.35Å; S26-R30 PolarHBondContact O-N 2.71Å; S26-R30 VanDerWaalsContact O-N 3.14Å |
| 27 | K | 88.8 | Confident | 82.5 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 175.4 | -70.2 | 176.2 | -173.5 | 170 | 0 | 111.7 | E11 E23 S24 K29 R30 Y31 | E11-K27 HydrophobicContact CG-CB 4.25Å; E11-K27 WeakPolarHBondContact OE1-CD 3.25Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.29Å; S24-K27 PolarHBondContact O-N 2.96Å; K27-K29 PolarHBondContact O-N 3.2Å; K27-R30 WeakPolarHBondContact O-CB 3.38Å; K27-R30 PolarHBondContact O-N 3.44Å; K27-R30 VanDerWaalsContact O-N 3.07Å; K27-Y31 HydrophobicContact CB-CE2 4.23Å; K27-Y31 VanDerWaalsContact O-CD2 3.24Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.3Å |
| 28 | A | 89.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.2 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C8 E11 L12 S24 R30 Y31 A32 I54 | C8-A28 PolarHBondContact SG-O 2.64Å; E11-A28 HydrophobicContact CB-CB 3.87Å; L12-A28 HydrophobicContact CD1-CB 4.4Å; L12-A28 HydrophobicContact CD2-CB 3.97Å; L12-A28 HydrophobicContact CG-CB 3.86Å; S24-A28 WeakPolarHBondContact O-CB 3.49Å; S24-A28 PolarHBondContact O-N 2.66Å; A28-R30 PolarHBondContact O-N 3.22Å; A28-Y31 PolarHBondContact O-N 3.04Å; A28-A32 PolarHBondContact O-N 3.15Å; A28-I54 HydrophobicContact CB-CD1 3.95Å; A28-I54 HydrophobicContact CB-CG1 4.37Å |
| 29 | K | 91.1 | Very high | 85.3 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 175.7 | -170.8 | 177.4 | 169.2 | -173.8 | 0 | 112.3 | L25 K27 Y31 A32 E33 L51 I54 | L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 2.89Å; K27-K29 PolarHBondContact O-N 3.2Å; K29-Y31 PolarHBondContact O-N 2.98Å; K29-A32 PolarHBondContact O-N 3.21Å; K29-E33 WeakPolarHBondContact CE-OE1 3.31Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 IonicContact NZ-OE1 3.23Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.35Å; K29-E33 PolarHBondContact O-N 3.41Å; K29-L51 HydrophobicContact CG-CD2 4.12Å; K29-I54 HydrophobicContact CB-CG2 4.09Å; K29-I54 HydrophobicContact CG-CG2 4.46Å |
| 30 | R | 90.7 | Very high | 86.3 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 178.7 | -169.4 | -176.6 | 70.9 | 165.6 | 1.8 | 111.5 | S26 K27 A28 A32 E33 E34 | S26-R30 PolarHBondContact O-N 2.71Å; S26-R30 VanDerWaalsContact O-N 3.14Å; K27-R30 WeakPolarHBondContact O-CB 3.38Å; K27-R30 PolarHBondContact O-N 3.44Å; K27-R30 VanDerWaalsContact O-N 3.07Å; A28-R30 PolarHBondContact O-N 3.22Å; R30-A32 PolarHBondContact O-N 2.89Å; R30-E33 PolarHBondContact O-N 3.08Å; R30-E34 IonicContact NE-OE1 2.79Å; R30-E34 WeakPolarHBondContact O-CG 3.43Å; R30-E34 PolarHBondContact O-N 3.45Å |
| 31 | Y | 91.2 | Very high | 86.8 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.6 | -64.7 | -45.7 | 0 | 0 | 0 | 112.6 | L7 E11 K27 A28 K29 E34 V35 | L7-Y31 HydrophobicContact CB-CD2 3.98Å; L7-Y31 HydrophobicContact CB-CE2 4.02Å; L7-Y31 HydrophobicContact CB-CG 4.33Å; L7-Y31 HydrophobicContact CD1-CE1 4.42Å; E11-Y31 HydrophobicContact CG-CD2 4.44Å; E11-Y31 HydrophobicContact CG-CE2 4.13Å; K27-Y31 HydrophobicContact CB-CE2 4.23Å; K27-Y31 VanDerWaalsContact O-CD2 3.24Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.3Å; A28-Y31 PolarHBondContact O-N 3.04Å; K29-Y31 PolarHBondContact O-N 2.98Å; Y31-E34 PolarHBondContact O-N 3.46Å; Y31-V35 WeakPolarHBondContact O-CG2 3.39Å; Y31-V35 PolarHBondContact O-N 3.05Å; Y31-V35 VanDerWaalsContact O-N 3.17Å |
| 32 | A | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A28 K29 R30 E34 V35 M36 L51 I54 | A28-A32 PolarHBondContact O-N 3.15Å; K29-A32 PolarHBondContact O-N 3.21Å; R30-A32 PolarHBondContact O-N 2.89Å; A32-E34 PolarHBondContact O-N 2.9Å; A32-V35 PolarHBondContact O-N 3.23Å; A32-M36 WeakPolarHBondContact O-CG 3.32Å; A32-M36 PolarHBondContact O-N 3.3Å; A32-L51 HydrophobicContact CB-CD1 4.27Å; A32-L51 HydrophobicContact CB-CD2 3.86Å; A32-L51 HydrophobicContact CB-CG 3.67Å; A32-I54 HydrophobicContact CB-CD1 4.4Å |
| 33 | E | 91.2 | Very high | 87.4 | Confident | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 175 | -73.2 | 175.5 | 167.3 | 0 | 0 | 112.5 | K29 R30 V35 M36 N37 L51 | K29-E33 WeakPolarHBondContact CE-OE1 3.31Å; K29-E33 HydrophobicContact CG-CG 4.48Å; K29-E33 IonicContact NZ-OE1 3.23Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.35Å; K29-E33 PolarHBondContact O-N 3.41Å; R30-E33 PolarHBondContact O-N 3.08Å; E33-V35 VanDerWaalsContact C-N 3.33Å; E33-V35 PolarHBondContact O-N 3.39Å; E33-M36 WeakPolarHBondContact O-CB 3.28Å; E33-M36 PolarHBondContact O-N 2.83Å; E33-N37 PolarHBondContact O-N 3.42Å; E33-N37 PolarHBondContact O-ND2 3.03Å; E33-L51 HydrophobicContact CG-CD2 4.21Å |
| 34 | E | 89.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.3 | -76.4 | 177 | -160.4 | 0 | 0 | 112.3 | Q4 R30 Y31 A32 N37 | Q4-E34 PolarHBondContact NE2-OE2 3.23Å; R30-E34 IonicContact NE-OE1 2.79Å; R30-E34 WeakPolarHBondContact O-CG 3.43Å; R30-E34 PolarHBondContact O-N 3.45Å; Y31-E34 PolarHBondContact O-N 3.46Å; A32-E34 PolarHBondContact O-N 2.9Å; E34-N37 PolarHBondContact O-N 3.17Å |
| 35 | V | 88.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | M1 Q4 L5 Y31 A32 E33 N37 G38 Y43 A47 | M1-V35 HydrophobicContact CB-CG1 4.41Å; Q4-V35 HydrophobicContact CB-CG2 3.54Å; L5-V35 HydrophobicContact CD1-CG1 4.17Å; L5-V35 HydrophobicContact CD2-CB 4.28Å; L5-V35 HydrophobicContact CD2-CG1 3.93Å; L5-V35 HydrophobicContact CD2-CG2 4.1Å; L5-V35 HydrophobicContact CG-CB 4.37Å; L5-V35 HydrophobicContact CG-CG1 3.87Å; L5-V35 HydrophobicContact CG-CG2 3.85Å; Y31-V35 WeakPolarHBondContact O-CG2 3.39Å; Y31-V35 PolarHBondContact O-N 3.05Å; Y31-V35 VanDerWaalsContact O-N 3.17Å; A32-V35 PolarHBondContact O-N 3.23Å; E33-V35 VanDerWaalsContact C-N 3.33Å; E33-V35 PolarHBondContact O-N 3.39Å; V35-N37 PolarHBondContact O-N 3.33Å; V35-G38 PolarHBondContact O-N 3.35Å; V35-Y43 WeakPolarHBondContact CG1-O 3.27Å; V35-A47 HydrophobicContact CB-CB 3.93Å; V35-A47 HydrophobicContact CG1-CB 3.8Å |
| 36 | M | 86.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.9 | -30 | 176.2 | -72.1 | -59.8 | -66.1 | 0 | 0 | 113.2 | A32 E33 G38 K44 A47 S48 L51 | A32-M36 WeakPolarHBondContact O-CG 3.32Å; A32-M36 PolarHBondContact O-N 3.3Å; E33-M36 WeakPolarHBondContact O-CB 3.28Å; E33-M36 PolarHBondContact O-N 2.83Å; M36-G38 PolarHBondContact O-N 2.99Å; M36-K44 HydrophobicContact SD-CB 4.23Å; M36-A47 HydrophobicContact CG-CB 4.08Å; M36-A47 HydrophobicContact SD-CB 3.81Å; M36-S48 WeakPolarHBondContact CE-OG 3.19Å; M36-S48 PolarHBondContact SD-OG 3.37Å; M36-L51 HydrophobicContact CG-CD1 3.72Å; M36-L51 HydrophobicContact SD-CD1 4.43Å |
| 37 | N | 87 | Confident | 88.1 | Confident | 139 Ų | 139 | 60.1 Ų | 60.1 | 74% | 0.743 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4 | 175.9 | -66.2 | -27.5 | 0 | 0 | 0 | 113.7 | E33 E34 V35 | E33-N37 PolarHBondContact O-N 3.42Å; E33-N37 PolarHBondContact O-ND2 3.03Å; E34-N37 PolarHBondContact O-N 3.17Å; V35-N37 PolarHBondContact O-N 3.33Å |
| 38 | G | 85.5 | Confident | 88.3 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76 | -175.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | M1 V35 M36 K44 | M1-G38 VanDerWaalsContact SD-CA 3.59Å; V35-G38 PolarHBondContact O-N 3.35Å; M36-G38 PolarHBondContact O-N 2.99Å; G38-K44 WeakPolarHBondContact O-CE 3.3Å; G38-K44 PolarHBondContact O-NZ 3.02Å |
| 39 | N | 84.7 | Confident | 88.4 | Confident | 149 Ų | 149 | 56.8 Ų | 56.8 | 80% | 0.797 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -103.9 | -13.1 | -177.5 | -67.1 | -10.8 | 0 | 0 | 0 | 114 | ||
| 40 | D | 85.8 | Confident | 88.4 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -88.4 | 115.2 | -174.5 | -169.3 | -37.1 | 0 | 0 | 0 | 111 | M1 Q42 Y43 K44 | M1-D40 HydrophobicContact CE-CB 3.46Å; M1-D40 VanDerWaalsContact CE-CB 3.46Å; M1-D40 HydrophobicContact SD-CB 3.92Å; D40-Q42 VanDerWaalsContact C-N 3.31Å; D40-Q42 PolarHBondContact O-N 3.27Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 3.49Å; D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CE2 4.35Å; D40-Y43 HydrophobicContact CB-CG 4.27Å; D40-Y43 VanDerWaalsContact CG-CD2 3.44Å; D40-Y43 PolarHBondContact O-N 3.46Å; D40-Y43 PolarHBondContact OD1-N 3.27Å; D40-Y43 VanDerWaalsContact OD2-CD2 3.29Å; D40-Y43 WeakPolarHBondContact OD2-CD2 3.46Å; D40-Y43 VanDerWaalsContact OD2-CE2 3.23Å; D40-Y43 WeakPolarHBondContact OD2-CE2 3.23Å; D40-K44 WeakPolarHBondContact O-CG 3.42Å; D40-K44 PolarHBondContact O-N 3.09Å | ||
| 41 | E | 85 | Confident | 88.4 | Confident | 130 Ų | 130 | 48.2 Ų | 48.2 | 61% | 0.607 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -32.1 | -177 | -65.5 | -57.8 | 130.6 | 0 | 0 | 113.1 | K44 F45 | E41-K44 IonicContact OE1-NZ 3.65Å; E41-K44 PolarHBondContact OE1-NZ 3.48Å; E41-F45 WeakPolarHBondContact O-CB 3.41Å; E41-F45 PolarHBondContact O-N 3.27Å |
| 42 | Q | 84.2 | Confident | 88.5 | Confident | 86 Ų | 86 | 46.5 Ų | 46.5 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.3 | -45.3 | 177.4 | 179.9 | 173 | -10.6 | 0 | 0 | 110.6 | D40 K44 F45 E46 | D40-Q42 VanDerWaalsContact C-N 3.31Å; D40-Q42 PolarHBondContact O-N 3.27Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Q42 PolarHBondContact OD1-N 3.49Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 2.71Å; Q42-F45 WeakPolarHBondContact O-CB 3.49Å; Q42-F45 PolarHBondContact O-N 2.94Å; Q42-E46 PolarHBondContact O-N 2.85Å |
| 43 | Y | 86.4 | Confident | 88.5 | Confident | 55 Ų | 55 | 47 Ų | 47 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -32.7 | 177.5 | -64.6 | -35.6 | 0 | 0 | 0 | 112.8 | M1 L2 L5 V35 D40 F45 E46 A47 | M1-Y43 HydrophobicContact CB-CD2 3.71Å; M1-Y43 HydrophobicContact CB-CE2 4.41Å; M1-Y43 HydrophobicContact CB-CG 4.31Å; M1-Y43 HydrophobicContact CE-CD2 4.27Å; M1-Y43 HydrophobicContact SD-CD2 4.42Å; L2-Y43 HydrophobicContact CB-CE1 4.38Å; L2-Y43 HydrophobicContact CB-CE2 4.43Å; L2-Y43 HydrophobicContact CD1-CE1 3.94Å; L5-Y43 HydrophobicContact CD1-CD1 3.46Å; L5-Y43 VanDerWaalsContact CD1-CD1 3.46Å; L5-Y43 HydrophobicContact CD1-CE1 4.36Å; L5-Y43 HydrophobicContact CD1-CG 3.8Å; V35-Y43 WeakPolarHBondContact CG1-O 3.27Å; D40-Y43 HydrophobicContact CB-CD2 3.62Å; D40-Y43 HydrophobicContact CB-CE2 4.35Å; D40-Y43 HydrophobicContact CB-CG 4.27Å; D40-Y43 VanDerWaalsContact CG-CD2 3.44Å; D40-Y43 PolarHBondContact O-N 3.46Å; D40-Y43 PolarHBondContact OD1-N 3.27Å; D40-Y43 VanDerWaalsContact OD2-CD2 3.29Å; D40-Y43 WeakPolarHBondContact OD2-CD2 3.46Å; D40-Y43 VanDerWaalsContact OD2-CE2 3.23Å; D40-Y43 WeakPolarHBondContact OD2-CE2 3.23Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; Y43-E46 PolarHBondContact O-N 2.66Å; Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 3.25Å |
| 44 | K | 87.7 | Confident | 88.5 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 169.5 | -74.4 | 177.1 | -172 | 169.6 | 0 | 111.9 | M36 G38 D40 E41 Q42 A47 S48 | M36-K44 HydrophobicContact SD-CB 4.23Å; G38-K44 WeakPolarHBondContact O-CE 3.3Å; G38-K44 PolarHBondContact O-NZ 3.02Å; D40-K44 WeakPolarHBondContact O-CG 3.42Å; D40-K44 PolarHBondContact O-N 3.09Å; E41-K44 IonicContact OE1-NZ 3.65Å; E41-K44 PolarHBondContact OE1-NZ 3.48Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 2.71Å; K44-A47 PolarHBondContact O-N 3.4Å; K44-S48 WeakPolarHBondContact O-CB 3.27Å; K44-S48 PolarHBondContact O-N 2.73Å; K44-S48 PolarHBondContact O-OG 3.45Å |
| 45 | F | 88.4 | Confident | 88.7 | Confident | 46 Ų | 46 | 41.1 Ų | 41.1 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 176.5 | 178.6 | -87.5 | 0 | 0 | 0 | 111 | E41 Q42 Y43 A47 S48 V49 L71 L73 F85 V89 | E41-F45 WeakPolarHBondContact O-CB 3.41Å; E41-F45 PolarHBondContact O-N 3.27Å; Q42-F45 WeakPolarHBondContact O-CB 3.49Å; Q42-F45 PolarHBondContact O-N 2.94Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; F45-A47 PolarHBondContact O-N 2.82Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 3.49Å; F45-S48 VanDerWaalsContact O-N 3.17Å; F45-V49 HydrophobicContact CD1-CG2 4.37Å; F45-V49 HydrophobicContact CE1-CG2 4.04Å; F45-V49 HydrophobicContact CZ-CG2 4.39Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.2Å; F45-L71 HydrophobicContact CD2-CD2 4.22Å; F45-L71 HydrophobicContact CE2-CB 4.08Å; F45-L71 HydrophobicContact CE2-CD2 4.45Å; F45-L71 WeakPolarHBondContact CE2-O 3.47Å; F45-L73 HydrophobicContact CE1-CD2 4.46Å; F45-L73 HydrophobicContact CE2-CD2 4.34Å; F45-L73 HydrophobicContact CZ-CD2 3.72Å; F45-F85 AromaticContact CD1-CE2 3.65Å; F45-F85 HydrophobicContact CD1-CE2 3.65Å; F45-F85 HydrophobicContact CD1-CZ 4.21Å; F45-F85 AromaticContact CE1-CE2 3.61Å; F45-F85 HydrophobicContact CE1-CE2 3.61Å; F45-F85 AromaticContact CE1-CZ 3.76Å; F45-F85 HydrophobicContact CE1-CZ 3.76Å; F45-V89 HydrophobicContact CE1-CG2 4.06Å |
| 46 | E | 88.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 176.5 | -70.4 | 177.5 | -154.8 | 0 | 0 | 112.2 | L5 Q42 Y43 S48 V49 L50 R84 F85 I88 | L5-E46 HydrophobicContact CD1-CB 4.24Å; L5-E46 HydrophobicContact CD2-CB 4.37Å; Q42-E46 PolarHBondContact O-N 2.85Å; Y43-E46 PolarHBondContact O-N 2.66Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.96Å; E46-V49 PolarHBondContact O-N 3.46Å; E46-V49 VanDerWaalsContact O-N 3.16Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.27Å; E46-R84 IonicContact OE2-CZ 3.7Å; E46-R84 VanDerWaalsContact OE2-CZ 3.28Å; E46-R84 IonicContact OE2-NH1 2.81Å; E46-R84 PolarHBondContact OE2-NH1 2.96Å; E46-R84 IonicContact OE2-NH2 3.89Å; E46-R84 PolarHBondContact OE2-NH2 3.01Å; E46-F85 HydrophobicContact CG-CD2 3.89Å; E46-F85 HydrophobicContact CG-CE2 4.38Å; E46-I88 HydrophobicContact CB-CD1 4.12Å; E46-I88 HydrophobicContact CG-CD1 4Å |
| 47 | A | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L5 V35 M36 Y43 K44 F45 L50 L51 | L5-A47 HydrophobicContact CD2-CB 3.83Å; V35-A47 HydrophobicContact CB-CB 3.93Å; V35-A47 HydrophobicContact CG1-CB 3.8Å; M36-A47 HydrophobicContact CG-CB 4.08Å; M36-A47 HydrophobicContact SD-CB 3.81Å; Y43-A47 VanDerWaalsContact O-CB 3.25Å; Y43-A47 WeakPolarHBondContact O-CB 3.47Å; Y43-A47 PolarHBondContact O-N 3.25Å; K44-A47 PolarHBondContact O-N 3.4Å; F45-A47 PolarHBondContact O-N 2.82Å; A47-L50 PolarHBondContact O-N 2.81Å; A47-L51 WeakPolarHBondContact O-CB 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.18Å |
| 48 | S | 92.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | M36 K44 F45 E46 L50 L51 G52 L67 | M36-S48 WeakPolarHBondContact CE-OG 3.19Å; M36-S48 PolarHBondContact SD-OG 3.37Å; K44-S48 WeakPolarHBondContact O-CB 3.27Å; K44-S48 PolarHBondContact O-N 2.73Å; K44-S48 PolarHBondContact O-OG 3.45Å; F45-S48 WeakPolarHBondContact O-CB 3.42Å; F45-S48 PolarHBondContact O-N 3.49Å; F45-S48 VanDerWaalsContact O-N 3.17Å; E46-S48 VanDerWaalsContact C-N 3.26Å; E46-S48 PolarHBondContact O-N 2.96Å; S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact O-N 3.35Å; S48-L51 PolarHBondContact O-N 2.89Å; S48-G52 PolarHBondContact O-N 2.95Å; S48-L67 WeakPolarHBondContact O-CD2 3.49Å |
| 49 | V | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | F45 E46 L51 G52 K53 L68 L71 L73 I88 | F45-V49 HydrophobicContact CD1-CG2 4.37Å; F45-V49 HydrophobicContact CE1-CG2 4.04Å; F45-V49 HydrophobicContact CZ-CG2 4.39Å; F45-V49 WeakPolarHBondContact O-CG2 3.43Å; F45-V49 PolarHBondContact O-N 3.2Å; E46-V49 PolarHBondContact O-N 3.46Å; E46-V49 VanDerWaalsContact O-N 3.16Å; V49-L51 PolarHBondContact O-N 3.27Å; V49-G52 PolarHBondContact O-N 2.96Å; V49-G52 VanDerWaalsContact O-N 3.15Å; V49-K53 PolarHBondContact O-N 3.38Å; V49-K53 VanDerWaalsContact O-N 3.1Å; V49-L68 HydrophobicContact CG1-CD2 4.37Å; V49-L71 HydrophobicContact CG2-CD1 3.8Å; V49-L73 HydrophobicContact CG2-CD2 3.77Å; V49-I88 HydrophobicContact CB-CG2 3.75Å; V49-I88 HydrophobicContact CG1-CG2 3.66Å; V49-I88 WeakPolarHBondContact CG1-O 3.29Å |
| 50 | L | 91.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.6 | -67.3 | 174.7 | 0 | 0 | 0 | 112.2 | L5 C8 E9 L12 E46 A47 S48 G52 K53 I54 I88 | L5-L50 HydrophobicContact CD2-CD1 4.03Å; C8-L50 HydrophobicContact CB-CD1 4.4Å; E9-L50 HydrophobicContact CG-CD1 4.01Å; E9-L50 HydrophobicContact CG-CD2 4.2Å; L12-L50 HydrophobicContact CD1-CD2 4.1Å; E46-L50 WeakPolarHBondContact O-CG 3.49Å; E46-L50 PolarHBondContact O-N 3.27Å; A47-L50 PolarHBondContact O-N 2.81Å; S48-L50 VanDerWaalsContact C-N 3.34Å; S48-L50 PolarHBondContact O-N 3.35Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 3.4Å; L50-K53 WeakPolarHBondContact O-CB 3.39Å; L50-K53 PolarHBondContact O-N 3.44Å; L50-K53 VanDerWaalsContact O-N 3.15Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.34Å; L50-I54 PolarHBondContact O-N 2.85Å; L50-I88 HydrophobicContact CD2-CG2 4.14Å; L50-I88 HydrophobicContact CG-CG2 4.13Å |
| 51 | L | 92.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 172.7 | -80.8 | 166.2 | 0 | 0 | 0 | 111.9 | K29 A32 E33 M36 A47 S48 V49 I54 Y55 L67 | K29-L51 HydrophobicContact CG-CD2 4.12Å; A32-L51 HydrophobicContact CB-CD1 4.27Å; A32-L51 HydrophobicContact CB-CD2 3.86Å; A32-L51 HydrophobicContact CB-CG 3.67Å; E33-L51 HydrophobicContact CG-CD2 4.21Å; M36-L51 HydrophobicContact CG-CD1 3.72Å; M36-L51 HydrophobicContact SD-CD1 4.43Å; A47-L51 WeakPolarHBondContact O-CB 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.43Å; A47-L51 PolarHBondContact O-N 3.18Å; S48-L51 PolarHBondContact O-N 2.89Å; V49-L51 PolarHBondContact O-N 3.27Å; L51-I54 PolarHBondContact O-N 3.14Å; L51-Y55 HydrophobicContact CB-CE2 4.29Å; L51-Y55 WeakPolarHBondContact O-CD2 3.33Å; L51-Y55 PolarHBondContact O-N 3.39Å; L51-L67 HydrophobicContact CB-CD1 4.29Å |
| 52 | G | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S48 V49 L50 Y55 Y56 A64 | S48-G52 PolarHBondContact O-N 2.95Å; V49-G52 PolarHBondContact O-N 2.96Å; V49-G52 VanDerWaalsContact O-N 3.15Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 3.4Å; G52-Y55 PolarHBondContact O-N 3.24Å; G52-Y56 PolarHBondContact O-N 3.2Å; G52-Y56 VanDerWaalsContact O-N 3.09Å; G52-A64 WeakPolarHBondContact O-CB 3.31Å |
| 53 | K | 90.7 | Very high | 89.9 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.5 | 176.7 | 179.2 | 173.7 | -175 | 0 | 111.8 | L12 V49 L50 Y55 Y56 L57 E91 V95 I154 | L12-K53 HydrophobicContact CD1-CD 4.49Å; V49-K53 PolarHBondContact O-N 3.38Å; V49-K53 VanDerWaalsContact O-N 3.1Å; L50-K53 WeakPolarHBondContact O-CB 3.39Å; L50-K53 PolarHBondContact O-N 3.44Å; L50-K53 VanDerWaalsContact O-N 3.15Å; K53-Y55 PolarHBondContact O-N 2.92Å; K53-Y56 WeakPolarHBondContact O-CB 3.37Å; K53-Y56 PolarHBondContact O-N 3.02Å; K53-L57 HydrophobicContact CG-CD1 4.01Å; K53-L57 HydrophobicContact CG-CG 4.42Å; K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.44Å; K53-E91 WeakPolarHBondContact CD-OE2 3.25Å; K53-E91 VanDerWaalsContact CE-OE2 3.29Å; K53-E91 WeakPolarHBondContact CE-OE2 3.34Å; K53-E91 VanDerWaalsContact NZ-CD 3.25Å; K53-E91 IonicContact NZ-OE1 2.68Å; K53-E91 PolarHBondContact NZ-OE1 3.39Å; K53-E91 VanDerWaalsContact NZ-OE1 3.09Å; K53-E91 IonicContact NZ-OE2 3.33Å; K53-E91 PolarHBondContact NZ-OE2 2.9Å; K53-V95 HydrophobicContact CB-CG2 4.27Å; K53-V95 HydrophobicContact CG-CG2 4.35Å; K53-I154 HydrophobicContact CD-CD1 4.42Å; K53-I154 HydrophobicContact CG-CD1 4.31Å |
| 54 | I | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 178.4 | -68.7 | 159.6 | 0 | 0 | 0 | 111 | L12 A28 K29 A32 L50 L51 Y56 L57 Q58 | L12-I54 HydrophobicContact CD1-CD1 4.19Å; L12-I54 HydrophobicContact CD1-CG1 3.97Å; L12-I54 HydrophobicContact CD2-CG1 3.73Å; L12-I54 HydrophobicContact CG-CG1 4.41Å; A28-I54 HydrophobicContact CB-CD1 3.95Å; A28-I54 HydrophobicContact CB-CG1 4.37Å; K29-I54 HydrophobicContact CB-CG2 4.09Å; K29-I54 HydrophobicContact CG-CG2 4.46Å; A32-I54 HydrophobicContact CB-CD1 4.4Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.34Å; L50-I54 PolarHBondContact O-N 2.85Å; L51-I54 PolarHBondContact O-N 3.14Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 3.4Å; I54-L57 PolarHBondContact O-N 3.24Å; I54-Q58 HydrophobicContact CG2-CG 4.42Å; I54-Q58 WeakPolarHBondContact O-CB 3.31Å; I54-Q58 WeakPolarHBondContact O-CG 3.25Å; I54-Q58 PolarHBondContact O-N 3.24Å |
| 55 | Y | 92.6 | Very high | 90.3 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 14% | 0.137 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.7 | -73.4 | -48.1 | 0 | 0 | 0 | 112.3 | L51 G52 K53 Q58 G59 N60 K63 L67 | L51-Y55 HydrophobicContact CB-CE2 4.29Å; L51-Y55 WeakPolarHBondContact O-CD2 3.33Å; L51-Y55 PolarHBondContact O-N 3.39Å; G52-Y55 PolarHBondContact O-N 3.24Å; K53-Y55 PolarHBondContact O-N 2.92Å; Y55-Q58 PolarHBondContact O-N 3.41Å; Y55-G59 PolarHBondContact O-N 2.96Å; Y55-N60 CarbonylContact O-C 3.58Å; Y55-N60 WeakPolarHBondContact O-CA 3.48Å; Y55-N60 WeakPolarHBondContact O-CB 3.47Å; Y55-N60 PolarHBondContact O-N 3.2Å; Y55-K63 HydrophobicContact CD1-CB 4.41Å; Y55-K63 HydrophobicContact CD1-CD 4.43Å; Y55-K63 HydrophobicContact CD2-CB 4.33Å; Y55-K63 HydrophobicContact CE1-CD 4.35Å; Y55-K63 HydrophobicContact CG-CB 4.14Å; Y55-L67 HydrophobicContact CD2-CD1 4.42Å; Y55-L67 HydrophobicContact CE2-CD1 4.01Å |
| 56 | Y | 91 | Very high | 90.4 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -47 | 174.2 | 176.3 | -103.5 | 0 | 0 | 0 | 111.9 | G52 K53 I54 Q58 G59 N61 V95 L98 C99 | G52-Y56 PolarHBondContact O-N 3.2Å; G52-Y56 VanDerWaalsContact O-N 3.09Å; K53-Y56 WeakPolarHBondContact O-CB 3.37Å; K53-Y56 PolarHBondContact O-N 3.02Å; I54-Y56 VanDerWaalsContact C-N 3.29Å; I54-Y56 PolarHBondContact O-N 3.4Å; Y56-Q58 VanDerWaalsContact C-N 3.26Å; Y56-Q58 PolarHBondContact O-N 3.06Å; Y56-G59 WeakPolarHBondContact O-CA 3.46Å; Y56-G59 PolarHBondContact O-N 3.32Å; Y56-N61 WeakPolarHBondContact CD2-OD1 3.32Å; Y56-V95 VanDerWaalsContact CB-CG1 3.44Å; Y56-V95 HydrophobicContact CD1-CG1 4.15Å; Y56-V95 HydrophobicContact CD1-CG2 4.25Å; Y56-V95 HydrophobicContact CD2-CG1 4.16Å; Y56-V95 HydrophobicContact CG-CG1 3.65Å; Y56-L98 HydrophobicContact CE1-CD1 4.23Å; Y56-L98 HydrophobicContact CE2-CB 4.17Å; Y56-C99 VanDerWaalsContact CD2-SG 3.56Å |
| 57 | L | 87.5 | Confident | 90.6 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -27.9 | 178.1 | -68.2 | 175.1 | 0 | 0 | 0 | 113.1 | L12 F14 L25 K53 I54 G59 I154 | L12-L57 HydrophobicContact CD2-CD1 4.11Å; F14-L57 HydrophobicContact CZ-CD2 4.11Å; L25-L57 HydrophobicContact CD1-CB 4.38Å; L25-L57 HydrophobicContact CD2-CB 3.69Å; L25-L57 HydrophobicContact CD2-CD1 3.92Å; L25-L57 HydrophobicContact CD2-CG 4.48Å; K53-L57 HydrophobicContact CG-CD1 4.01Å; K53-L57 HydrophobicContact CG-CG 4.42Å; K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.44Å; I54-L57 PolarHBondContact O-N 3.24Å; L57-G59 PolarHBondContact O-N 3.19Å; L57-I154 HydrophobicContact CD2-CD1 4.21Å |
| 58 | Q | 89.1 | Confident | 90.6 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.5 | 171.1 | -71.5 | 177.5 | -10.5 | 0 | 0 | 113.6 | L25 I54 Y55 Y56 N60 | L25-Q58 HydrophobicContact CD1-CG 4.34Å; I54-Q58 HydrophobicContact CG2-CG 4.42Å; I54-Q58 WeakPolarHBondContact O-CB 3.31Å; I54-Q58 WeakPolarHBondContact O-CG 3.25Å; I54-Q58 PolarHBondContact O-N 3.24Å; Y55-Q58 PolarHBondContact O-N 3.41Å; Y56-Q58 VanDerWaalsContact C-N 3.26Å; Y56-Q58 PolarHBondContact O-N 3.06Å; Q58-N60 VanDerWaalsContact C-N 3.33Å |
| 59 | G | 85.5 | Confident | 90.5 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 57% | 0.567 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y55 Y56 L57 N61 | Y55-G59 PolarHBondContact O-N 2.96Å; Y56-G59 WeakPolarHBondContact O-CA 3.46Å; Y56-G59 PolarHBondContact O-N 3.32Å; L57-G59 PolarHBondContact O-N 3.19Å; G59-N61 PolarHBondContact O-N 3.42Å |
| 60 | N | 90.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | trans | -98.1 | 70.4 | 179.7 | -158.6 | -36.6 | 0 | 0 | 0 | 112.1 | Y55 Q58 E62 K63 A64 | Y55-N60 CarbonylContact O-C 3.58Å; Y55-N60 WeakPolarHBondContact O-CA 3.48Å; Y55-N60 WeakPolarHBondContact O-CB 3.47Å; Y55-N60 PolarHBondContact O-N 3.2Å; Q58-N60 VanDerWaalsContact C-N 3.33Å; N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 3.08Å; N60-K63 HydrophobicContact CB-CB 4.48Å; N60-K63 WeakPolarHBondContact ND2-CD 3.37Å; N60-K63 WeakPolarHBondContact ND2-CE 3.44Å; N60-K63 PolarHBondContact O-N 2.66Å; N60-K63 WeakPolarHBondContact OD1-CB 3.28Å; N60-K63 VanDerWaalsContact OD1-CG 3.27Å; N60-K63 WeakPolarHBondContact OD1-CG 2.97Å; N60-K63 PolarHBondContact OD1-N 2.91Å; N60-A64 PolarHBondContact O-N 3.26Å; N60-A64 VanDerWaalsContact O-N 3.09Å | ||
| 61 | N | 88.5 | Confident | 90.1 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -33 | -172.9 | -60.5 | -35.7 | 0 | 0 | 0 | 113.2 | Y56 G59 L65 E102 | Y56-N61 WeakPolarHBondContact CD2-OD1 3.32Å; G59-N61 PolarHBondContact O-N 3.42Å; N61-L65 WeakPolarHBondContact O-CB 3.09Å; N61-L65 PolarHBondContact O-N 3.46Å; N61-E102 PolarHBondContact ND2-OE1 3.12Å; N61-E102 PolarHBondContact ND2-OE2 3.18Å |
| 62 | E | 89.7 | Confident | 89.7 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 177.5 | -64.8 | -164.8 | 158.8 | 0 | 0 | 112.8 | N60 K66 | N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 3.08Å; E62-K66 WeakPolarHBondContact O-CB 3.23Å; E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.71Å |
| 63 | K | 90.7 | Very high | 89.3 | Confident | 111 Ų | 111 | 52 Ų | 52 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 176.9 | -73.8 | -174.3 | -171.1 | 176.8 | 0 | 111.2 | Y55 N60 L65 K66 L67 | Y55-K63 HydrophobicContact CD1-CB 4.41Å; Y55-K63 HydrophobicContact CD1-CD 4.43Å; Y55-K63 HydrophobicContact CD2-CB 4.33Å; Y55-K63 HydrophobicContact CE1-CD 4.35Å; Y55-K63 HydrophobicContact CG-CB 4.14Å; N60-K63 HydrophobicContact CB-CB 4.48Å; N60-K63 WeakPolarHBondContact ND2-CD 3.37Å; N60-K63 WeakPolarHBondContact ND2-CE 3.44Å; N60-K63 PolarHBondContact O-N 2.66Å; N60-K63 WeakPolarHBondContact OD1-CB 3.28Å; N60-K63 VanDerWaalsContact OD1-CG 3.27Å; N60-K63 WeakPolarHBondContact OD1-CG 2.97Å; N60-K63 PolarHBondContact OD1-N 2.91Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 2.91Å; K63-K66 PolarHBondContact O-N 3.4Å; K63-L67 WeakPolarHBondContact O-CB 2.8Å; K63-L67 PolarHBondContact O-N 2.88Å |
| 64 | A | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | G52 N60 L67 L68 | G52-A64 WeakPolarHBondContact O-CB 3.31Å; N60-A64 PolarHBondContact O-N 3.26Å; N60-A64 VanDerWaalsContact O-N 3.09Å; A64-L67 PolarHBondContact O-N 2.98Å; A64-L68 WeakPolarHBondContact O-CB 3.46Å; A64-L68 WeakPolarHBondContact O-CG 3.44Å; A64-L68 PolarHBondContact O-N 2.99Å |
| 65 | L | 91.3 | Very high | 87.7 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -51.1 | 178.4 | -178.8 | 71.8 | 0 | 0 | 0 | 112.1 | N61 K63 L67 S69 L96 C99 K100 | N61-L65 WeakPolarHBondContact O-CB 3.09Å; N61-L65 PolarHBondContact O-N 3.46Å; K63-L65 VanDerWaalsContact C-N 3.34Å; K63-L65 PolarHBondContact O-N 2.91Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.35Å; L65-S69 WeakPolarHBondContact O-CB 3.47Å; L65-S69 PolarHBondContact O-N 3.47Å; L65-S69 PolarHBondContact O-OG 3.43Å; L65-L96 HydrophobicContact CD1-CD1 3.98Å; L65-C99 HydrophobicContact CB-CB 4.06Å; L65-C99 HydrophobicContact CD1-CB 3.99Å; L65-K100 HydrophobicContact CD1-CG 3.65Å |
| 66 | K | 91.7 | Very high | 86.4 | Confident | 143 Ų | 143 | 59.1 Ų | 59.1 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.2 | -47.7 | -179.9 | -77.5 | 173.2 | -178 | 171.9 | 0 | 110.9 | E62 K63 S69 S70 | E62-K66 WeakPolarHBondContact O-CB 3.23Å; E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.46Å; E62-K66 PolarHBondContact O-N 2.71Å; K63-K66 PolarHBondContact O-N 3.4Å; K66-S69 PolarHBondContact O-OG 3.25Å; K66-S70 PolarHBondContact O-N 3.37Å |
| 67 | L | 92 | Very high | 85.2 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -53.5 | -178.6 | -170.4 | 147.8 | 0 | 0 | 0 | 111.5 | S48 L51 Y55 K63 A64 L65 S69 S70 L71 | S48-L67 WeakPolarHBondContact O-CD2 3.49Å; L51-L67 HydrophobicContact CB-CD1 4.29Å; Y55-L67 HydrophobicContact CD2-CD1 4.42Å; Y55-L67 HydrophobicContact CE2-CD1 4.01Å; K63-L67 WeakPolarHBondContact O-CB 2.8Å; K63-L67 PolarHBondContact O-N 2.88Å; A64-L67 PolarHBondContact O-N 2.98Å; L65-L67 VanDerWaalsContact C-N 3.32Å; L65-L67 PolarHBondContact O-N 3.35Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-S69 PolarHBondContact O-N 2.95Å; L67-S70 WeakPolarHBondContact O-CB 3.43Å; L67-S70 PolarHBondContact O-N 2.95Å; L67-S70 VanDerWaalsContact O-N 3.09Å; L67-S70 PolarHBondContact O-OG 3.36Å; L67-L71 HydrophobicContact CD2-CD1 3.93Å |
| 68 | L | 90.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.8 | -32.8 | -177.9 | -67.1 | 171.4 | 0 | 0 | 0 | 112.9 | V49 A64 S70 L71 L73 V95 L96 | V49-L68 HydrophobicContact CG1-CD2 4.37Å; A64-L68 WeakPolarHBondContact O-CB 3.46Å; A64-L68 WeakPolarHBondContact O-CG 3.44Å; A64-L68 PolarHBondContact O-N 2.99Å; L68-S70 PolarHBondContact O-N 2.95Å; L68-L71 HydrophobicContact CD2-CD1 4.2Å; L68-L71 PolarHBondContact O-N 2.92Å; L68-L73 HydrophobicContact CB-CD1 4.43Å; L68-L73 HydrophobicContact CD2-CD1 4.19Å; L68-V95 HydrophobicContact CD1-CB 3.93Å; L68-V95 HydrophobicContact CD1-CG1 3.53Å; L68-L96 HydrophobicContact CB-CB 4.18Å; L68-L96 HydrophobicContact CB-CD1 3.93Å; L68-L96 HydrophobicContact CB-CG 4.48Å; L68-L96 HydrophobicContact CD1-CB 4.2Å |
| 69 | S | 89.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -27.4 | 174.9 | 70.8 | 0 | 0 | 0 | 0 | 113 | L65 K66 L67 L71 | L65-S69 WeakPolarHBondContact O-CB 3.47Å; L65-S69 PolarHBondContact O-N 3.47Å; L65-S69 PolarHBondContact O-OG 3.43Å; K66-S69 PolarHBondContact O-OG 3.25Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-S69 PolarHBondContact O-N 2.95Å; S69-L71 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 89.5 | Confident | 81 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 62% | 0.622 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.6 | -21.6 | 177.7 | 76 | 0 | 0 | 0 | 0 | 113.5 | K66 L67 L68 N72 | K66-S70 PolarHBondContact O-N 3.37Å; L67-S70 WeakPolarHBondContact O-CB 3.43Å; L67-S70 PolarHBondContact O-N 2.95Å; L67-S70 VanDerWaalsContact O-N 3.09Å; L67-S70 PolarHBondContact O-OG 3.36Å; L68-S70 PolarHBondContact O-N 2.95Å; S70-N72 VanDerWaalsContact C-N 3.32Å; S70-N72 PolarHBondContact O-N 3.17Å |
| 71 | L | 84.8 | Confident | 79.3 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.1 | -172.5 | -64.4 | 173.8 | 0 | 0 | 0 | 114.6 | F45 V49 L67 L68 S69 L73 | F45-L71 HydrophobicContact CD2-CD2 4.22Å; F45-L71 HydrophobicContact CE2-CB 4.08Å; F45-L71 HydrophobicContact CE2-CD2 4.45Å; F45-L71 WeakPolarHBondContact CE2-O 3.47Å; V49-L71 HydrophobicContact CG2-CD1 3.8Å; L67-L71 HydrophobicContact CD2-CD1 3.93Å; L68-L71 HydrophobicContact CD2-CD1 4.2Å; L68-L71 PolarHBondContact O-N 2.92Å; S69-L71 VanDerWaalsContact C-N 3.34Å; L71-L73 HydrophobicContact CB-CD2 3.72Å; L71-L73 HydrophobicContact CB-CG 4.12Å; L71-L73 HydrophobicContact CD1-CD2 4.36Å; L71-L73 PolarHBondContact O-N 3.15Å; L71-L73 VanDerWaalsContact O-N 3.08Å |
| 72 | N | 84.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.4 | 46 | -178.3 | -162.9 | 19.8 | 0 | 0 | 0 | 114.3 | S70 L74 S75 | S70-N72 VanDerWaalsContact C-N 3.32Å; S70-N72 PolarHBondContact O-N 3.17Å; N72-L74 PolarHBondContact O-N 3.48Å; N72-S75 PolarHBondContact ND2-OG 3.25Å; N72-S75 VanDerWaalsContact ND2-OG 3.11Å; N72-S75 PolarHBondContact O-N 3.35Å; N72-S75 PolarHBondContact O-OG 3.05Å |
| 73 | L | 82.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -56 | -26.9 | -172.9 | -59.1 | 177.9 | 0 | 0 | 0 | 114 | F45 V49 L68 L71 S75 A76 L93 L96 | F45-L73 HydrophobicContact CE1-CD2 4.46Å; F45-L73 HydrophobicContact CE2-CD2 4.34Å; F45-L73 HydrophobicContact CZ-CD2 3.72Å; V49-L73 HydrophobicContact CG2-CD2 3.77Å; L68-L73 HydrophobicContact CB-CD1 4.43Å; L68-L73 HydrophobicContact CD2-CD1 4.19Å; L71-L73 HydrophobicContact CB-CD2 3.72Å; L71-L73 HydrophobicContact CB-CG 4.12Å; L71-L73 HydrophobicContact CD1-CD2 4.36Å; L71-L73 PolarHBondContact O-N 3.15Å; L71-L73 VanDerWaalsContact O-N 3.08Å; L73-S75 PolarHBondContact O-N 3.07Å; L73-A76 VanDerWaalsContact O-CB 3.28Å; L73-A76 WeakPolarHBondContact O-CB 3.42Å; L73-A76 PolarHBondContact O-N 3.28Å; L73-A76 VanDerWaalsContact O-N 3.15Å; L73-L93 HydrophobicContact CB-CD2 3.6Å; L73-L93 HydrophobicContact CB-CG 4.22Å; L73-L93 HydrophobicContact CD1-CD2 4.36Å; L73-L96 HydrophobicContact CD1-CD2 4.1Å |
| 74 | L | 75 | Confident | 76.9 | Confident | 99 Ų | 99 | 65 Ų | 65 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -62.4 | -23 | 176.8 | -70.9 | 171.8 | 0 | 0 | 0 | 113.5 | N72 L122 L125 | N72-L74 PolarHBondContact O-N 3.48Å; L74-L122 HydrophobicContact CD2-CD2 3.65Å; L74-L122 HydrophobicContact CG-CD2 4.1Å; L74-L125 HydrophobicContact CD2-CD2 3.9Å |
| 75 | S | 74.5 | Confident | 76.6 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -92.4 | -5.1 | 179.1 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | N72 L73 K77 | N72-S75 PolarHBondContact ND2-OG 3.25Å; N72-S75 VanDerWaalsContact ND2-OG 3.11Å; N72-S75 PolarHBondContact O-N 3.35Å; N72-S75 PolarHBondContact O-OG 3.05Å; L73-S75 PolarHBondContact O-N 3.07Å; S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 VanDerWaalsContact O-N 3.08Å |
| 76 | A | 64.8 | Low | 76.1 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | trans | -65.3 | 110.7 | -180 | 0 | 0 | 0 | 0 | 0 | 109.4 | L73 F85 V89 | L73-A76 VanDerWaalsContact O-CB 3.28Å; L73-A76 WeakPolarHBondContact O-CB 3.42Å; L73-A76 PolarHBondContact O-N 3.28Å; L73-A76 VanDerWaalsContact O-N 3.15Å; A76-F85 HydrophobicContact CB-CE1 4.45Å; A76-F85 HydrophobicContact CB-CZ 4.4Å; A76-V89 HydrophobicContact CB-CG1 3.99Å; A76-V89 HydrophobicContact CB-CG2 4.47Å | ||
| 77 | K | 65.2 | Low | 75.8 | Confident | 183 Ų | 183 | 60.1 Ų | 60.1 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | trans | -72.2 | 139.3 | 174.9 | -68.4 | -179.2 | -178.9 | 175.3 | 0 | 108.9 | S75 D79 | S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 VanDerWaalsContact O-N 3.08Å; K77-D79 PolarHBondContact O-N 2.98Å | ||
| 78 | M | 58.7 | Low | 75.5 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | trans | -66.3 | 116.5 | 167.7 | -91.2 | -155.5 | 70.2 | 0 | 0 | 109.2 | P80 N86 M129 K132 L234 | M78-P80 WeakPolarHBondContact O-CD 3.29Å; M78-N86 WeakPolarHBondContact CA-OD1 3.33Å; M78-N86 HydrophobicContact CE-CB 3.74Å; M78-N86 WeakPolarHBondContact CE-ND2 3.42Å; M78-N86 WeakPolarHBondContact CG-OD1 3.13Å; M78-M129 HydrophobicContact CG-CE 3.89Å; M78-M129 HydrophobicContact CG-CG 4.3Å; M78-M129 HydrophobicContact SD-CG 4.24Å; M78-K132 HydrophobicContact CE-CG 4.21Å; M78-K132 HydrophobicContact SD-CB 4.44Å; M78-K132 HydrophobicContact SD-CG 4.1Å; M78-L234 HydrophobicContact CB-CD2 4.15Å; M78-L234 HydrophobicContact CG-CD2 3.49Å; M78-L234 VanDerWaalsContact CG-CD2 3.49Å; M78-L234 HydrophobicContact CG-CG 4.42Å; M78-L234 HydrophobicContact SD-CD2 3.77Å | ||
| 79 | D | 61.8 | Low | 75.5 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -89.3 | 113.7 | 170.6 | -160.9 | -21.4 | 0 | 0 | 0 | 107.5 | K77 I81 T82 N86 | K77-D79 PolarHBondContact O-N 2.98Å; D79-I81 PolarHBondContact O-N 3.41Å; D79-I81 PolarHBondContact OD1-N 2.92Å; D79-T82 WeakPolarHBondContact CB-OG1 3.27Å; D79-T82 PolarHBondContact O-N 3.46Å; D79-T82 PolarHBondContact OD2-OG1 2.77Å; D79-N86 PolarHBondContact O-ND2 3.43Å | ||
| 80 | P | 54.6 | Low | 75.5 | Confident | 107 Ų | 107 | 55 Ų | 55 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -62.6 | -20.8 | -179.1 | 24.1 | -32.7 | 0 | 0 | 0 | 112.3 | M78 | M78-P80 WeakPolarHBondContact O-CD 3.29Š|
| 81 | I | 53.8 | Low | 75.5 | Confident | 149 Ų | 149 | 51.3 Ų | 51.3 | 76% | 0.764 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -81.6 | -35.5 | -177.8 | -57.1 | 173.4 | 0 | 0 | 0 | 110.9 | D79 L83 | D79-I81 PolarHBondContact O-N 3.41Å; D79-I81 PolarHBondContact OD1-N 2.92Å; I81-L83 PolarHBondContact O-N 3.11Å |
| 82 | T | 66.2 | Low | 75.9 | Confident | 43 Ų | 43 | 50 Ų | 50 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | trans | -103.9 | 72.3 | -175.2 | 10.2 | 0 | 0 | 0 | 0 | 111.5 | D79 R84 F85 N86 | D79-T82 WeakPolarHBondContact CB-OG1 3.27Å; D79-T82 PolarHBondContact O-N 3.46Å; D79-T82 PolarHBondContact OD2-OG1 2.77Å; T82-R84 PolarHBondContact O-N 3.49Å; T82-R84 VanDerWaalsContact O-N 3.15Å; T82-F85 WeakPolarHBondContact O-CB 3.23Å; T82-F85 PolarHBondContact O-N 3.06Å; T82-N86 PolarHBondContact O-ND2 3.27Å | ||
| 83 | L | 73.3 | Confident | 76.2 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -49.1 | -41.7 | 175.6 | -69.4 | 177.1 | 0 | 0 | 0 | 112.5 | I81 F85 N86 H87 H133 E136 L137 | I81-L83 PolarHBondContact O-N 3.11Å; L83-F85 PolarHBondContact O-N 3.1Å; L83-N86 PolarHBondContact O-N 2.96Å; L83-H87 PolarHBondContact O-N 3.49Å; L83-H133 VanDerWaalsContact C-CE1 3.47Å; L83-H133 PolarHBondContact O-CE1 2.67Å; L83-H133 PolarHBondContact O-ND1 3.03Å; L83-E136 HydrophobicContact CD2-CB 3.65Å; L83-L137 HydrophobicContact CD1-CB 4.39Å |
| 84 | R | 80.3 | Confident | 76.8 | Confident | 58 Ų | 58 | 45 Ų | 45 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 176.7 | -179.9 | 175.2 | 158.3 | -81.3 | -15.4 | 113.5 | L5 E9 E46 T82 N86 H87 I88 | L5-R84 VanDerWaalsContact CB-NH2 3.28Å; E9-R84 VanDerWaalsContact CD-NE 3.29Å; E9-R84 IonicContact OE1-CZ 2.78Å; E9-R84 IonicContact OE1-NE 2.73Å; E9-R84 PolarHBondContact OE1-NE 3.47Å; E9-R84 IonicContact OE1-NH2 2.65Å; E9-R84 PolarHBondContact OE1-NH2 3.17Å; E9-R84 IonicContact OE2-CZ 3.02Å; E9-R84 IonicContact OE2-NE 2.94Å; E9-R84 PolarHBondContact OE2-NE 3.35Å; E9-R84 IonicContact OE2-NH2 2.69Å; E46-R84 IonicContact OE2-CZ 3.7Å; E46-R84 VanDerWaalsContact OE2-CZ 3.28Å; E46-R84 IonicContact OE2-NH1 2.81Å; E46-R84 PolarHBondContact OE2-NH1 2.96Å; E46-R84 IonicContact OE2-NH2 3.89Å; E46-R84 PolarHBondContact OE2-NH2 3.01Å; T82-R84 PolarHBondContact O-N 3.49Å; T82-R84 VanDerWaalsContact O-N 3.15Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-N86 PolarHBondContact O-N 3.24Å; R84-H87 WeakPolarHBondContact O-CB 3.38Å; R84-H87 PolarHBondContact O-N 3.02Å; R84-I88 HydrophobicContact CG-CD1 4.18Å; R84-I88 WeakPolarHBondContact O-CG1 3.48Å; R84-I88 PolarHBondContact O-N 2.93Å |
| 85 | F | 83.3 | Confident | 77.6 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 10% | 0.101 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.8 | 175.1 | -99 | 0 | 0 | 0 | 111.5 | F45 E46 A76 T82 L83 H87 I88 V89 | F45-F85 AromaticContact CD1-CE2 3.65Å; F45-F85 HydrophobicContact CD1-CE2 3.65Å; F45-F85 HydrophobicContact CD1-CZ 4.21Å; F45-F85 AromaticContact CE1-CE2 3.61Å; F45-F85 HydrophobicContact CE1-CE2 3.61Å; F45-F85 AromaticContact CE1-CZ 3.76Å; F45-F85 HydrophobicContact CE1-CZ 3.76Å; E46-F85 HydrophobicContact CG-CD2 3.89Å; E46-F85 HydrophobicContact CG-CE2 4.38Å; A76-F85 HydrophobicContact CB-CE1 4.45Å; A76-F85 HydrophobicContact CB-CZ 4.4Å; T82-F85 WeakPolarHBondContact O-CB 3.23Å; T82-F85 PolarHBondContact O-N 3.06Å; L83-F85 PolarHBondContact O-N 3.1Å; F85-H87 VanDerWaalsContact C-N 3.3Å; F85-H87 PolarHBondContact O-N 3.33Å; F85-I88 PolarHBondContact O-N 3.08Å; F85-V89 HydrophobicContact CD1-CG2 4.15Å; F85-V89 HydrophobicContact CD2-CG2 4.35Å; F85-V89 HydrophobicContact CE1-CG2 3.77Å; F85-V89 HydrophobicContact CE2-CG2 3.99Å; F85-V89 HydrophobicContact CG-CG2 4.42Å; F85-V89 HydrophobicContact CZ-CG2 3.68Å; F85-V89 WeakPolarHBondContact O-CG2 3.35Å; F85-V89 PolarHBondContact O-N 3.33Å |
| 86 | N | 82 | Confident | 78.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | -179 | -59.4 | -44.3 | 0 | 0 | 0 | 112.4 | M78 D79 T82 L83 R84 S90 M129 H133 | M78-N86 WeakPolarHBondContact CA-OD1 3.33Å; M78-N86 HydrophobicContact CE-CB 3.74Å; M78-N86 WeakPolarHBondContact CE-ND2 3.42Å; M78-N86 WeakPolarHBondContact CG-OD1 3.13Å; D79-N86 PolarHBondContact O-ND2 3.43Å; T82-N86 PolarHBondContact O-ND2 3.27Å; L83-N86 PolarHBondContact O-N 2.96Å; R84-N86 VanDerWaalsContact C-N 3.32Å; R84-N86 PolarHBondContact O-N 3.24Å; N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.4Å; N86-S90 PolarHBondContact O-N 2.94Å; N86-S90 PolarHBondContact O-OG 3.19Å; N86-M129 HydrophobicContact CB-CE 4.37Å; N86-H133 HydrophobicContact CB-CB 4.3Å |
| 87 | H | 84.3 | Confident | 79.9 | Confident | 45 Ų | 45 | 36.1 Ų | 36.1 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -54.1 | 172.9 | -178.6 | 83.5 | 0 | 0 | 0 | 111.4 | L83 R84 F85 V89 S90 E91 P152 | L83-H87 PolarHBondContact O-N 3.49Å; R84-H87 WeakPolarHBondContact O-CB 3.38Å; R84-H87 PolarHBondContact O-N 3.02Å; F85-H87 VanDerWaalsContact C-N 3.3Å; F85-H87 PolarHBondContact O-N 3.33Å; H87-V89 VanDerWaalsContact C-N 3.34Å; H87-V89 PolarHBondContact O-N 3.47Å; H87-S90 PolarHBondContact O-N 2.92Å; H87-S90 VanDerWaalsContact O-N 3.14Å; H87-S90 PolarHBondContact O-OG 2.86Å; H87-E91 IonicContact NE2-OE1 2.6Å; H87-E91 PolarHBondContact O-N 3.39Å; H87-E91 VanDerWaalsContact O-N 3.11Å; H87-P152 WeakPolarHBondContact CE1-CG 3.41Å |
| 88 | I | 87.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 179.5 | -60.7 | 165.6 | 0 | 0 | 0 | 110.8 | E9 E46 V49 L50 R84 F85 S90 E91 G92 | E9-I88 WeakPolarHBondContact OE1-CD1 3.42Å; E9-I88 WeakPolarHBondContact OE1-CG1 3.37Å; E46-I88 HydrophobicContact CB-CD1 4.12Å; E46-I88 HydrophobicContact CG-CD1 4Å; V49-I88 HydrophobicContact CB-CG2 3.75Å; V49-I88 HydrophobicContact CG1-CG2 3.66Å; V49-I88 WeakPolarHBondContact CG1-O 3.29Å; L50-I88 HydrophobicContact CD2-CG2 4.14Å; L50-I88 HydrophobicContact CG-CG2 4.13Å; R84-I88 HydrophobicContact CG-CD1 4.18Å; R84-I88 WeakPolarHBondContact O-CG1 3.48Å; R84-I88 PolarHBondContact O-N 2.93Å; F85-I88 PolarHBondContact O-N 3.08Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.95Å; I88-E91 PolarHBondContact O-N 2.97Å; I88-G92 PolarHBondContact O-N 3.46Å |
| 89 | V | 89 | Confident | 82.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.6 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | F45 A76 F85 H87 E91 G92 L93 M129 | F45-V89 HydrophobicContact CE1-CG2 4.06Å; A76-V89 HydrophobicContact CB-CG1 3.99Å; A76-V89 HydrophobicContact CB-CG2 4.47Å; F85-V89 HydrophobicContact CD1-CG2 4.15Å; F85-V89 HydrophobicContact CD2-CG2 4.35Å; F85-V89 HydrophobicContact CE1-CG2 3.77Å; F85-V89 HydrophobicContact CE2-CG2 3.99Å; F85-V89 HydrophobicContact CG-CG2 4.42Å; F85-V89 HydrophobicContact CZ-CG2 3.68Å; F85-V89 WeakPolarHBondContact O-CG2 3.35Å; F85-V89 PolarHBondContact O-N 3.33Å; H87-V89 VanDerWaalsContact C-N 3.34Å; H87-V89 PolarHBondContact O-N 3.47Å; V89-E91 PolarHBondContact O-N 3.35Å; V89-G92 PolarHBondContact O-N 3.49Å; V89-L93 HydrophobicContact CG1-CD1 4.03Å; V89-L93 HydrophobicContact CG1-CG 4.29Å; V89-L93 WeakPolarHBondContact O-CB 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.1Å; V89-M129 HydrophobicContact CB-CE 3.8Å; V89-M129 HydrophobicContact CG1-CE 3.56Å; V89-M129 HydrophobicContact CG1-SD 3.95Å |
| 90 | S | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.7 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | N86 H87 I88 A94 A126 | N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.4Å; N86-S90 PolarHBondContact O-N 2.94Å; N86-S90 PolarHBondContact O-OG 3.19Å; H87-S90 PolarHBondContact O-N 2.92Å; H87-S90 VanDerWaalsContact O-N 3.14Å; H87-S90 PolarHBondContact O-OG 2.86Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.95Å; S90-A94 WeakPolarHBondContact O-CB 3.07Å; S90-A94 PolarHBondContact O-N 3.08Å; S90-A126 WeakPolarHBondContact O-CB 3.34Å |
| 91 | E | 90.5 | Very high | 85.7 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 173.4 | -66.1 | -165.2 | 150.4 | 0 | 0 | 111.7 | K53 H87 I88 V89 L93 A94 V95 P152 V155 | K53-E91 WeakPolarHBondContact CD-OE2 3.25Å; K53-E91 VanDerWaalsContact CE-OE2 3.29Å; K53-E91 WeakPolarHBondContact CE-OE2 3.34Å; K53-E91 VanDerWaalsContact NZ-CD 3.25Å; K53-E91 IonicContact NZ-OE1 2.68Å; K53-E91 PolarHBondContact NZ-OE1 3.39Å; K53-E91 VanDerWaalsContact NZ-OE1 3.09Å; K53-E91 IonicContact NZ-OE2 3.33Å; K53-E91 PolarHBondContact NZ-OE2 2.9Å; H87-E91 IonicContact NE2-OE1 2.6Å; H87-E91 PolarHBondContact O-N 3.39Å; H87-E91 VanDerWaalsContact O-N 3.11Å; I88-E91 PolarHBondContact O-N 2.97Å; V89-E91 PolarHBondContact O-N 3.35Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.39Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 3.49Å; E91-V95 WeakPolarHBondContact O-CG2 3.48Å; E91-V95 PolarHBondContact O-N 3.21Å; E91-P152 HydrophobicContact CG-CB 4.22Å; E91-P152 HydrophobicContact CG-CG 4.17Å; E91-P152 WeakPolarHBondContact OE1-CB 3.22Å; E91-P152 WeakPolarHBondContact OE1-CG 3.38Å; E91-V155 HydrophobicContact CG-CG2 4.08Å |
| 92 | G | 91.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I88 V89 V95 L96 | I88-G92 PolarHBondContact O-N 3.46Å; V89-G92 PolarHBondContact O-N 3.49Å; G92-V95 PolarHBondContact O-N 3.34Å; G92-L96 VanDerWaalsContact O-CB 3.26Å; G92-L96 WeakPolarHBondContact O-CB 3.45Å; G92-L96 PolarHBondContact O-N 2.94Å |
| 93 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.1 | -73.7 | 168.5 | 0 | 0 | 0 | 111.9 | L73 V89 E91 L96 G97 L122 L125 A126 M129 | L73-L93 HydrophobicContact CB-CD2 3.6Å; L73-L93 HydrophobicContact CB-CG 4.22Å; L73-L93 HydrophobicContact CD1-CD2 4.36Å; V89-L93 HydrophobicContact CG1-CD1 4.03Å; V89-L93 HydrophobicContact CG1-CG 4.29Å; V89-L93 WeakPolarHBondContact O-CB 3.25Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.1Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.39Å; L93-L96 PolarHBondContact O-N 3.26Å; L93-G97 PolarHBondContact O-N 2.93Å; L93-L122 HydrophobicContact CD2-CD2 3.87Å; L93-L125 HydrophobicContact CD1-CB 4.16Å; L93-L125 HydrophobicContact CD1-CD2 3.62Å; L93-L125 HydrophobicContact CD1-CG 3.7Å; L93-L125 HydrophobicContact CD2-CD2 4.16Å; L93-A126 HydrophobicContact CB-CB 3.87Å; L93-M129 HydrophobicContact CD1-SD 3.6Å |
| 94 | A | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S90 E91 G97 L98 A126 I154 V155 V158 | S90-A94 WeakPolarHBondContact O-CB 3.07Å; S90-A94 PolarHBondContact O-N 3.08Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 3.49Å; A94-G97 PolarHBondContact O-N 3.39Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 3.44Å; A94-A126 HydrophobicContact CB-CB 4.18Å; A94-I154 HydrophobicContact CB-CG2 4.05Å; A94-V155 HydrophobicContact CB-CG2 4.09Å; A94-V158 HydrophobicContact CB-CB 4.24Å; A94-V158 HydrophobicContact CB-CG1 4.44Å; A94-V158 HydrophobicContact CB-CG2 3.87Å |
| 95 | V | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | K53 Y56 L68 E91 G92 G97 L98 C99 I154 | K53-V95 HydrophobicContact CB-CG2 4.27Å; K53-V95 HydrophobicContact CG-CG2 4.35Å; Y56-V95 VanDerWaalsContact CB-CG1 3.44Å; Y56-V95 HydrophobicContact CD1-CG1 4.15Å; Y56-V95 HydrophobicContact CD1-CG2 4.25Å; Y56-V95 HydrophobicContact CD2-CG1 4.16Å; Y56-V95 HydrophobicContact CG-CG1 3.65Å; L68-V95 HydrophobicContact CD1-CB 3.93Å; L68-V95 HydrophobicContact CD1-CG1 3.53Å; E91-V95 WeakPolarHBondContact O-CG2 3.48Å; E91-V95 PolarHBondContact O-N 3.21Å; G92-V95 PolarHBondContact O-N 3.34Å; V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.85Å; V95-L98 PolarHBondContact O-N 2.94Å; V95-C99 WeakPolarHBondContact O-CB 3.31Å; V95-C99 PolarHBondContact O-N 3.48Å; V95-C99 PolarHBondContact O-SG 2.86Å; V95-I154 HydrophobicContact CG2-CD1 4.34Å; V95-I154 HydrophobicContact CG2-CG2 4.05Å |
| 96 | L | 93.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 177.1 | 176.3 | 60.1 | 0 | 0 | 0 | 111.3 | L65 L68 L73 G92 L93 K100 L122 | L65-L96 HydrophobicContact CD1-CD1 3.98Å; L68-L96 HydrophobicContact CB-CB 4.18Å; L68-L96 HydrophobicContact CB-CD1 3.93Å; L68-L96 HydrophobicContact CB-CG 4.48Å; L68-L96 HydrophobicContact CD1-CB 4.2Å; L73-L96 HydrophobicContact CD1-CD2 4.1Å; G92-L96 VanDerWaalsContact O-CB 3.26Å; G92-L96 WeakPolarHBondContact O-CB 3.45Å; G92-L96 PolarHBondContact O-N 2.94Å; L93-L96 PolarHBondContact O-N 3.26Å; L96-K100 WeakPolarHBondContact O-CG 3.26Å; L96-K100 PolarHBondContact O-N 3.39Å; L96-K100 VanDerWaalsContact O-N 3.08Å; L96-L122 HydrophobicContact CD2-CD1 4.44Å; L96-L122 HydrophobicContact CD2-CD2 4.06Å; L96-L122 HydrophobicContact CG-CD1 4.26Å |
| 97 | G | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 A94 V95 K100 E101 F123 | L93-G97 PolarHBondContact O-N 2.93Å; A94-G97 PolarHBondContact O-N 3.39Å; V95-G97 VanDerWaalsContact C-N 3.31Å; V95-G97 PolarHBondContact O-N 2.85Å; G97-K100 PolarHBondContact O-N 3.22Å; G97-E101 WeakPolarHBondContact O-CB 3.21Å; G97-E101 PolarHBondContact O-N 2.99Å; G97-F123 VanDerWaalsContact C-CE1 3.4Å; G97-F123 VanDerWaalsContact CA-CE1 3.45Å |
| 98 | L | 93.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.1 | -72 | 169.9 | 0 | 0 | 0 | 112.1 | Y56 A94 V95 K100 E101 E102 F123 I154 V158 K161 | Y56-L98 HydrophobicContact CE1-CD1 4.23Å; Y56-L98 HydrophobicContact CE2-CB 4.17Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 3.44Å; V95-L98 PolarHBondContact O-N 2.94Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.14Å; L98-E101 PolarHBondContact O-N 3.25Å; L98-E102 PolarHBondContact O-N 3.33Å; L98-F123 HydrophobicContact CD2-CZ 4.13Å; L98-F123 HydrophobicContact CG-CE1 4.38Å; L98-F123 HydrophobicContact CG-CZ 4.36Å; L98-I154 HydrophobicContact CD1-CG2 3.79Å; L98-V158 HydrophobicContact CD1-CG2 3.82Å; L98-V158 HydrophobicContact CD2-CG2 3.91Å; L98-V158 HydrophobicContact CG-CG2 3.66Å; L98-K161 HydrophobicContact CD2-CD 4.19Å |
| 99 | C | 92.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.7 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | Y56 L65 V95 E102 Q103 | Y56-C99 VanDerWaalsContact CD2-SG 3.56Å; L65-C99 HydrophobicContact CB-CB 4.06Å; L65-C99 HydrophobicContact CD1-CB 3.99Å; V95-C99 WeakPolarHBondContact O-CB 3.31Å; V95-C99 PolarHBondContact O-N 3.48Å; V95-C99 PolarHBondContact O-SG 2.86Å; C99-E102 PolarHBondContact O-N 3.12Å; C99-Q103 WeakPolarHBondContact O-CB 3.49Å; C99-Q103 PolarHBondContact O-N 3.39Å |
| 100 | K | 90.2 | Very high | 86.7 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 32% | 0.317 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.4 | -77.5 | -174.2 | 176.3 | -173.8 | 0 | 112.3 | L65 L96 G97 L98 E102 Q103 L104 I119 L122 | L65-K100 HydrophobicContact CD1-CG 3.65Å; L96-K100 WeakPolarHBondContact O-CG 3.26Å; L96-K100 PolarHBondContact O-N 3.39Å; L96-K100 VanDerWaalsContact O-N 3.08Å; G97-K100 PolarHBondContact O-N 3.22Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.14Å; K100-E102 VanDerWaalsContact C-N 3.34Å; K100-E102 PolarHBondContact O-N 2.96Å; K100-Q103 PolarHBondContact O-N 3.06Å; K100-L104 WeakPolarHBondContact O-CB 3.5Å; K100-L104 PolarHBondContact O-N 2.83Å; K100-I119 HydrophobicContact CB-CD1 4.32Å; K100-I119 HydrophobicContact CB-CG1 4.04Å; K100-L122 HydrophobicContact CD-CD1 3.82Å |
| 101 | E | 88.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.2 | -171.6 | -169.9 | 178.4 | 0 | 0 | 111.6 | G97 L98 L104 N105 I119 K161 | G97-E101 WeakPolarHBondContact O-CB 3.21Å; G97-E101 PolarHBondContact O-N 2.99Å; L98-E101 PolarHBondContact O-N 3.25Å; E101-L104 WeakPolarHBondContact O-CB 3.08Å; E101-L104 PolarHBondContact O-N 3.16Å; E101-N105 PolarHBondContact O-N 3.23Å; E101-N105 PolarHBondContact O-ND2 2.98Å; E101-I119 HydrophobicContact CB-CD1 4.05Å; E101-K161 IonicContact OE1-NZ 3.85Å; E101-K161 PolarHBondContact OE1-NZ 3.49Å; E101-K161 WeakPolarHBondContact OE2-CD 3.35Å; E101-K161 IonicContact OE2-NZ 3.72Å; E101-K161 PolarHBondContact OE2-NZ 2.87Å |
| 102 | E | 87.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 177.4 | -166.6 | -179.7 | 148.6 | 0 | 0 | 112.4 | N61 L98 C99 K100 L104 N105 L106 | N61-E102 PolarHBondContact ND2-OE1 3.12Å; N61-E102 PolarHBondContact ND2-OE2 3.18Å; L98-E102 PolarHBondContact O-N 3.33Å; C99-E102 PolarHBondContact O-N 3.12Å; K100-E102 VanDerWaalsContact C-N 3.34Å; K100-E102 PolarHBondContact O-N 2.96Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.35Å; E102-N105 PolarHBondContact O-N 3.49Å; E102-L106 WeakPolarHBondContact O-CG 3.5Å; E102-L106 PolarHBondContact O-N 3.04Å; E102-L106 VanDerWaalsContact O-N 3.1Å |
| 103 | Q | 87.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59 | -41 | 173.3 | -175.8 | -175.1 | -0.1 | 0 | 0 | 111.8 | C99 K100 N105 L106 K107 | C99-Q103 WeakPolarHBondContact O-CB 3.49Å; C99-Q103 PolarHBondContact O-N 3.39Å; K100-Q103 PolarHBondContact O-N 3.06Å; Q103-N105 VanDerWaalsContact C-N 3.35Å; Q103-L106 PolarHBondContact O-N 3.42Å; Q103-K107 HydrophobicContact CG-CD 4.4Å; Q103-K107 PolarHBondContact O-N 3.3Å |
| 104 | L | 85.6 | Confident | 84.9 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.8 | -158.1 | 167 | 0 | 0 | 0 | 111.1 | K100 E101 E102 L106 K107 P109 I112 E115 K116 I119 | K100-L104 WeakPolarHBondContact O-CB 3.5Å; K100-L104 PolarHBondContact O-N 2.83Å; E101-L104 WeakPolarHBondContact O-CB 3.08Å; E101-L104 PolarHBondContact O-N 3.16Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 3.35Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 3.34Å; L104-K107 CarbonylContact O-C 3.58Å; L104-P109 HydrophobicContact CG-CG 4.29Å; L104-I112 HydrophobicContact CD2-CG1 4.19Å; L104-I112 HydrophobicContact CD2-CG2 4.05Å; L104-E115 HydrophobicContact CD1-CB 3.45Å; L104-E115 VanDerWaalsContact CD1-CB 3.45Å; L104-E115 WeakPolarHBondContact CD1-OE2 3.27Å; L104-E115 HydrophobicContact CG-CB 4.36Å; L104-E115 WeakPolarHBondContact CG-OE2 3.5Å; L104-K116 HydrophobicContact CD1-CG 4.03Å; L104-I119 HydrophobicContact CD1-CD1 3.76Å |
| 105 | N | 83.3 | Confident | 84.5 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.2 | -31.6 | 175 | -69.1 | -22.4 | 0 | 0 | 0 | 112.9 | E101 E102 Q103 | E101-N105 PolarHBondContact O-N 3.23Å; E101-N105 PolarHBondContact O-ND2 2.98Å; E102-N105 PolarHBondContact O-N 3.49Å; Q103-N105 VanDerWaalsContact C-N 3.35Å |
| 106 | L | 83.8 | Confident | 84.2 | Confident | 135 Ų | 135 | 66.8 Ų | 66.8 | 71% | 0.707 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -82.6 | -41.9 | 178.7 | -70.1 | 170.4 | 0 | 0 | 0 | 113.3 | E102 Q103 L104 | E102-L106 WeakPolarHBondContact O-CG 3.5Å; E102-L106 PolarHBondContact O-N 3.04Å; E102-L106 VanDerWaalsContact O-N 3.1Å; Q103-L106 PolarHBondContact O-N 3.42Å; L104-L106 VanDerWaalsContact C-N 3.3Å; L104-L106 PolarHBondContact O-N 3.34Å |
| 107 | K | 77.7 | Confident | 83.9 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -115.9 | 82.9 | -175.1 | -64.2 | 177.8 | -177.1 | 175.1 | 0 | 107.2 | Q103 L104 P109 | Q103-K107 HydrophobicContact CG-CD 4.4Å; Q103-K107 PolarHBondContact O-N 3.3Å; L104-K107 CarbonylContact O-C 3.58Å; K107-P109 WeakPolarHBondContact O-CD 3.02Å; K107-P109 WeakPolarHBondContact O-CG 3.24Å |
| 108 | S | 73.3 | Confident | 83.7 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | trans | -56.8 | 94.9 | 178 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | P | 71.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | trans | -80.4 | 165.6 | -174.1 | 17.1 | -1 | 0 | 0 | 0 | 109.7 | L104 K107 D111 I112 E115 | L104-P109 HydrophobicContact CG-CG 4.29Å; K107-P109 WeakPolarHBondContact O-CD 3.02Å; K107-P109 WeakPolarHBondContact O-CG 3.24Å; P109-D111 PolarHBondContact O-N 2.85Å; P109-I112 WeakPolarHBondContact O-CG1 3.47Å; P109-E115 VanDerWaalsContact CG-CD 3.46Å; P109-E115 WeakPolarHBondContact CG-OE1 3.3Å; P109-E115 WeakPolarHBondContact CG-OE2 3.48Å | ||
| 110 | P | 68.8 | Low | 83.6 | Confident | 145 Ų | 145 | 74.6 Ų | 74.6 | 94% | 0.942 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.1 | -179.8 | 24.4 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 111 | D | 79.7 | Confident | 83.6 | Confident | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 49.2 | -172.2 | -140.2 | -16.7 | 0 | 0 | 0 | 112.6 | P109 S113 K114 E115 | P109-D111 PolarHBondContact O-N 2.85Å; D111-S113 PolarHBondContact O-N 2.99Å; D111-K114 PolarHBondContact O-N 2.67Å; D111-K114 VanDerWaalsContact O-N 3.17Å; D111-K114 WeakPolarHBondContact OD2-CD 3.29Å; D111-K114 WeakPolarHBondContact OD2-CE 3.36Å; D111-K114 IonicContact OD2-NZ 3.52Å; D111-K114 PolarHBondContact OD2-NZ 3.29Å; D111-E115 PolarHBondContact O-N 3.08Å |
| 112 | I | 80.6 | Confident | 83.7 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 36% | 0.359 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -47 | -38 | -178.8 | -71.1 | 161.3 | 0 | 0 | 0 | 112.6 | L104 P109 K116 | L104-I112 HydrophobicContact CD2-CG1 4.19Å; L104-I112 HydrophobicContact CD2-CG2 4.05Å; P109-I112 WeakPolarHBondContact O-CG1 3.47Å; I112-K116 HydrophobicContact CG2-CD 4Å; I112-K116 HydrophobicContact CG2-CG 4.4Å; I112-K116 WeakPolarHBondContact O-CB 3.22Å; I112-K116 WeakPolarHBondContact O-CG 3.3Å; I112-K116 PolarHBondContact O-N 3Å; I112-K116 VanDerWaalsContact O-N 3.07Å |
| 113 | S | 82.5 | Confident | 83.9 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 112 | D111 E115 K116 D117 K169 | D111-S113 PolarHBondContact O-N 2.99Å; S113-E115 VanDerWaalsContact C-N 3.35Å; S113-E115 PolarHBondContact O-N 3.14Å; S113-K116 PolarHBondContact O-N 3.5Å; S113-D117 PolarHBondContact O-N 2.97Å; S113-D117 VanDerWaalsContact O-OD2 3.13Å; S113-K169 PolarHBondContact O-NZ 3Å |
| 114 | K | 84.6 | Confident | 84.1 | Confident | 124 Ų | 124 | 67.5 Ų | 67.5 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | -178.2 | -67.7 | -173.9 | -166.5 | 151.4 | 0 | 111.9 | D111 K116 D117 N118 | D111-K114 PolarHBondContact O-N 2.67Å; D111-K114 VanDerWaalsContact O-N 3.17Å; D111-K114 WeakPolarHBondContact OD2-CD 3.29Å; D111-K114 WeakPolarHBondContact OD2-CE 3.36Å; D111-K114 IonicContact OD2-NZ 3.52Å; D111-K114 PolarHBondContact OD2-NZ 3.29Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K114-D117 PolarHBondContact O-N 3.44Å; K114-N118 PolarHBondContact O-N 2.92Å; K114-N118 PolarHBondContact O-ND2 3.47Å |
| 115 | E | 85.4 | Confident | 84.2 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.4 | -69.3 | -170.1 | -177.4 | 0 | 0 | 111.9 | L104 P109 D111 S113 D117 N118 I119 | L104-E115 HydrophobicContact CD1-CB 3.45Å; L104-E115 VanDerWaalsContact CD1-CB 3.45Å; L104-E115 WeakPolarHBondContact CD1-OE2 3.27Å; L104-E115 HydrophobicContact CG-CB 4.36Å; L104-E115 WeakPolarHBondContact CG-OE2 3.5Å; P109-E115 VanDerWaalsContact CG-CD 3.46Å; P109-E115 WeakPolarHBondContact CG-OE1 3.3Å; P109-E115 WeakPolarHBondContact CG-OE2 3.48Å; D111-E115 PolarHBondContact O-N 3.08Å; S113-E115 VanDerWaalsContact C-N 3.35Å; S113-E115 PolarHBondContact O-N 3.14Å; E115-D117 VanDerWaalsContact C-N 3.31Å; E115-D117 PolarHBondContact O-N 3.47Å; E115-N118 WeakPolarHBondContact O-CB 3.35Å; E115-N118 PolarHBondContact O-N 3.45Å; E115-I119 WeakPolarHBondContact O-CG1 3.43Å; E115-I119 PolarHBondContact O-N 3.07Å |
| 116 | K | 86.7 | Confident | 84.5 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -34 | 172.4 | -74.5 | 179.8 | 175.9 | -176.9 | 0 | 112.7 | L104 I112 S113 K114 I119 I120 I165 K169 | L104-K116 HydrophobicContact CD1-CG 4.03Å; I112-K116 HydrophobicContact CG2-CD 4Å; I112-K116 HydrophobicContact CG2-CG 4.4Å; I112-K116 WeakPolarHBondContact O-CB 3.22Å; I112-K116 WeakPolarHBondContact O-CG 3.3Å; I112-K116 PolarHBondContact O-N 3Å; I112-K116 VanDerWaalsContact O-N 3.07Å; S113-K116 PolarHBondContact O-N 3.5Å; K114-K116 VanDerWaalsContact C-N 3.34Å; K116-I119 PolarHBondContact O-N 2.87Å; K116-I120 VanDerWaalsContact O-CG1 3.3Å; K116-I120 WeakPolarHBondContact O-CG1 3.48Å; K116-I120 PolarHBondContact O-N 3.47Å; K116-I165 HydrophobicContact CB-CG2 4.12Å; K116-I165 HydrophobicContact CD-CG2 4.21Å; K116-I165 HydrophobicContact CG-CG2 4.31Å; K116-K169 HydrophobicContact CD-CG 4.15Å |
| 117 | D | 88 | Confident | 84.9 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.1 | -68.4 | -37.7 | 0 | 0 | 0 | 111.2 | S113 K114 E115 I119 I120 V121 K169 | S113-D117 PolarHBondContact O-N 2.97Å; S113-D117 VanDerWaalsContact O-OD2 3.13Å; K114-D117 PolarHBondContact O-N 3.44Å; E115-D117 VanDerWaalsContact C-N 3.31Å; E115-D117 PolarHBondContact O-N 3.47Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.89Å; D117-I120 PolarHBondContact O-N 3.21Å; D117-I120 VanDerWaalsContact O-N 3.16Å; D117-V121 WeakPolarHBondContact O-CG2 3.42Å; D117-V121 PolarHBondContact O-N 2.91Å; D117-K169 IonicContact OD1-NZ 2.71Å; D117-K169 PolarHBondContact OD1-NZ 3.42Å; D117-K169 IonicContact OD2-NZ 2.76Å; D117-K169 PolarHBondContact OD2-NZ 2.97Å |
| 118 | N | 88.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 174.2 | -68.3 | -26.5 | 0 | 0 | 0 | 112.2 | K114 E115 V121 L122 | K114-N118 PolarHBondContact O-N 2.92Å; K114-N118 PolarHBondContact O-ND2 3.47Å; E115-N118 WeakPolarHBondContact O-CB 3.35Å; E115-N118 PolarHBondContact O-N 3.45Å; N118-V121 PolarHBondContact O-N 3.22Å; N118-L122 WeakPolarHBondContact O-CG 3.35Å; N118-L122 PolarHBondContact O-N 3.49Å; N118-L122 VanDerWaalsContact O-N 3.13Å |
| 119 | I | 91.2 | Very high | 86 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.6 | -67.7 | 162.7 | 0 | 0 | 0 | 110.6 | K100 E101 L104 E115 K116 D117 V121 L122 F123 I165 | K100-I119 HydrophobicContact CB-CD1 4.32Å; K100-I119 HydrophobicContact CB-CG1 4.04Å; E101-I119 HydrophobicContact CB-CD1 4.05Å; L104-I119 HydrophobicContact CD1-CD1 3.76Å; E115-I119 WeakPolarHBondContact O-CG1 3.43Å; E115-I119 PolarHBondContact O-N 3.07Å; K116-I119 PolarHBondContact O-N 2.87Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.89Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 3.25Å; I119-L122 PolarHBondContact O-N 3.24Å; I119-F123 HydrophobicContact CG2-CD1 4.29Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE1 4.02Å; I119-F123 HydrophobicContact CG2-CE2 3.36Å; I119-F123 HydrophobicContact CG2-CG 4.18Å; I119-F123 HydrophobicContact CG2-CZ 3.53Å; I119-F123 WeakPolarHBondContact O-CB 3.4Å; I119-F123 VanDerWaalsContact O-CG 3.24Å; I119-F123 WeakPolarHBondContact O-CG 3.23Å; I119-F123 PolarHBondContact O-N 3.4Å; I119-I165 HydrophobicContact CG2-CD1 4.06Å |
| 120 | I | 91 | Very high | 86.9 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -38.9 | 176.3 | -70.6 | 162.4 | 0 | 0 | 0 | 111.2 | K116 D117 F123 N124 I162 I165 L166 | K116-I120 VanDerWaalsContact O-CG1 3.3Å; K116-I120 WeakPolarHBondContact O-CG1 3.48Å; K116-I120 PolarHBondContact O-N 3.47Å; D117-I120 PolarHBondContact O-N 3.21Å; D117-I120 VanDerWaalsContact O-N 3.16Å; I120-F123 PolarHBondContact O-N 3.05Å; I120-N124 WeakPolarHBondContact CG2-ND2 3.49Å; I120-N124 WeakPolarHBondContact O-CB 3.46Å; I120-N124 VanDerWaalsContact O-CG 3.29Å; I120-N124 PolarHBondContact O-N 2.88Å; I120-N124 PolarHBondContact O-ND2 3.33Å; I120-I162 HydrophobicContact CG2-CG2 4.42Å; I120-I165 HydrophobicContact CD1-CB 4.39Å; I120-I165 HydrophobicContact CD1-CG2 3.79Å; I120-I165 HydrophobicContact CG1-CB 4.35Å; I120-I165 HydrophobicContact CG1-CG2 4.01Å; I120-L166 HydrophobicContact CD1-CD2 3.71Å; I120-L166 HydrophobicContact CD1-CG 3.98Å |
| 121 | V | 89.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 39 Ų | 39 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | D117 N118 I119 F123 N124 L125 | D117-V121 WeakPolarHBondContact O-CG2 3.42Å; D117-V121 PolarHBondContact O-N 2.91Å; N118-V121 PolarHBondContact O-N 3.22Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 3.25Å; V121-F123 VanDerWaalsContact C-N 3.33Å; V121-F123 PolarHBondContact O-N 3.31Å; V121-N124 PolarHBondContact O-N 3.03Å; V121-L125 PolarHBondContact O-N 3.22Å |
| 122 | L | 90.8 | Very high | 88.1 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.5 | -71.1 | 167.8 | 0 | 0 | 0 | 111.7 | L74 L93 L96 K100 N118 I119 L125 A126 | L74-L122 HydrophobicContact CD2-CD2 3.65Å; L74-L122 HydrophobicContact CG-CD2 4.1Å; L93-L122 HydrophobicContact CD2-CD2 3.87Å; L96-L122 HydrophobicContact CD2-CD1 4.44Å; L96-L122 HydrophobicContact CD2-CD2 4.06Å; L96-L122 HydrophobicContact CG-CD1 4.26Å; K100-L122 HydrophobicContact CD-CD1 3.82Å; N118-L122 WeakPolarHBondContact O-CG 3.35Å; N118-L122 PolarHBondContact O-N 3.49Å; N118-L122 VanDerWaalsContact O-N 3.13Å; I119-L122 PolarHBondContact O-N 3.24Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-A126 WeakPolarHBondContact O-CB 3.36Å; L122-A126 PolarHBondContact O-N 2.93Å |
| 123 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.2 | -69.1 | -10.6 | 0 | 0 | 0 | 112.7 | G97 L98 I119 I120 V121 A126 C127 V158 K161 I162 I165 | G97-F123 VanDerWaalsContact C-CE1 3.4Å; G97-F123 VanDerWaalsContact CA-CE1 3.45Å; L98-F123 HydrophobicContact CD2-CZ 4.13Å; L98-F123 HydrophobicContact CG-CE1 4.38Å; L98-F123 HydrophobicContact CG-CZ 4.36Å; I119-F123 HydrophobicContact CG2-CD1 4.29Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE1 4.02Å; I119-F123 HydrophobicContact CG2-CE2 3.36Å; I119-F123 HydrophobicContact CG2-CG 4.18Å; I119-F123 HydrophobicContact CG2-CZ 3.53Å; I119-F123 WeakPolarHBondContact O-CB 3.4Å; I119-F123 VanDerWaalsContact O-CG 3.24Å; I119-F123 WeakPolarHBondContact O-CG 3.23Å; I119-F123 PolarHBondContact O-N 3.4Å; I120-F123 PolarHBondContact O-N 3.05Å; V121-F123 VanDerWaalsContact C-N 3.33Å; V121-F123 PolarHBondContact O-N 3.31Å; F123-A126 PolarHBondContact O-N 3.04Å; F123-C127 WeakPolarHBondContact O-CB 3.35Å; F123-C127 PolarHBondContact O-N 3.34Å; F123-V158 HydrophobicContact CB-CG1 3.47Å; F123-V158 VanDerWaalsContact CB-CG1 3.47Å; F123-V158 HydrophobicContact CD1-CB 4.21Å; F123-V158 HydrophobicContact CD1-CG1 3.18Å; F123-V158 HydrophobicContact CD1-CG2 4Å; F123-V158 HydrophobicContact CD2-CG1 3.95Å; F123-V158 HydrophobicContact CE1-CB 4.28Å; F123-V158 HydrophobicContact CE1-CG1 3.71Å; F123-V158 HydrophobicContact CE1-CG2 3.61Å; F123-V158 HydrophobicContact CE2-CG1 4.42Å; F123-V158 HydrophobicContact CG-CB 4.47Å; F123-V158 HydrophobicContact CG-CG1 3.3Å; F123-V158 HydrophobicContact CZ-CG1 4.33Å; F123-V158 HydrophobicContact CZ-CG2 4.01Å; F123-K161 HydrophobicContact CE2-CB 4.13Å; F123-K161 HydrophobicContact CE2-CD 4.42Å; F123-I162 HydrophobicContact CB-CD1 3.94Å; F123-I162 HydrophobicContact CB-CG1 3.56Å; F123-I162 HydrophobicContact CD2-CG1 4.32Å; F123-I162 HydrophobicContact CG-CG1 4.45Å; F123-I165 HydrophobicContact CD2-CD1 4.01Å; F123-I165 HydrophobicContact CE2-CD1 3.64Å |
| 124 | N | 90.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.4 | -76.7 | -54.5 | 0 | 0 | 0 | 111.4 | I120 V121 C127 H128 K178 | I120-N124 WeakPolarHBondContact CG2-ND2 3.49Å; I120-N124 WeakPolarHBondContact O-CB 3.46Å; I120-N124 VanDerWaalsContact O-CG 3.29Å; I120-N124 PolarHBondContact O-N 2.88Å; I120-N124 PolarHBondContact O-ND2 3.33Å; V121-N124 PolarHBondContact O-N 3.03Å; N124-C127 WeakPolarHBondContact O-CB 3.4Å; N124-C127 PolarHBondContact O-N 3.5Å; N124-H128 WeakPolarHBondContact O-CB 3.31Å; N124-H128 PolarHBondContact O-CD2 2.94Å; N124-H128 VanDerWaalsContact O-CG 3.23Å; N124-H128 PolarHBondContact O-N 3.44Å; N124-K178 PolarHBondContact ND2-NZ 3.46Å; N124-K178 PolarHBondContact OD1-NZ 2.7Å |
| 125 | L | 88.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 24.9 Ų | 24.9 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 178.6 | -169.8 | 66 | 0 | 0 | 0 | 111.1 | L74 L93 V121 L122 C127 H128 M129 L234 | L74-L125 HydrophobicContact CD2-CD2 3.9Å; L93-L125 HydrophobicContact CD1-CB 4.16Å; L93-L125 HydrophobicContact CD1-CD2 3.62Å; L93-L125 HydrophobicContact CD1-CG 3.7Å; L93-L125 HydrophobicContact CD2-CD2 4.16Å; V121-L125 PolarHBondContact O-N 3.22Å; L122-L125 PolarHBondContact O-N 3.47Å; L125-C127 VanDerWaalsContact C-N 3.34Å; L125-C127 PolarHBondContact O-N 3.26Å; L125-H128 PolarHBondContact O-N 3.31Å; L125-M129 HydrophobicContact CD1-CG 4.46Å; L125-M129 HydrophobicContact CG-CG 4.46Å; L125-M129 HydrophobicContact CG-SD 4.14Å; L125-M129 WeakPolarHBondContact O-CB 3.46Å; L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.4Å; L125-M129 PolarHBondContact O-N 3.21Å; L125-L234 HydrophobicContact CD1-CD2 4.31Å |
| 126 | A | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S90 L93 A94 L122 F123 C130 | S90-A126 WeakPolarHBondContact O-CB 3.34Å; L93-A126 HydrophobicContact CB-CB 3.87Å; A94-A126 HydrophobicContact CB-CB 4.18Å; L122-A126 WeakPolarHBondContact O-CB 3.36Å; L122-A126 PolarHBondContact O-N 2.93Å; F123-A126 PolarHBondContact O-N 3.04Å; A126-C130 VanDerWaalsContact O-CB 3.23Å; A126-C130 WeakPolarHBondContact O-CB 3.29Å; A126-C130 PolarHBondContact O-N 2.87Å |
| 127 | C | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.9 | -51.8 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | F123 N124 L125 I131 I159 I162 | F123-C127 WeakPolarHBondContact O-CB 3.35Å; F123-C127 PolarHBondContact O-N 3.34Å; N124-C127 WeakPolarHBondContact O-CB 3.4Å; N124-C127 PolarHBondContact O-N 3.5Å; L125-C127 VanDerWaalsContact C-N 3.34Å; L125-C127 PolarHBondContact O-N 3.26Å; C127-I131 WeakPolarHBondContact O-CB 3.48Å; C127-I131 VanDerWaalsContact O-CG1 3.29Å; C127-I131 WeakPolarHBondContact O-CG1 3.39Å; C127-I131 PolarHBondContact O-N 3.14Å; C127-I131 VanDerWaalsContact SG-CD1 3.56Å; C127-I159 HydrophobicContact CB-CD1 4.18Å; C127-I159 HydrophobicContact CB-CG1 3.76Å; C127-I162 HydrophobicContact CB-CD1 4.26Å |
| 128 | H | 88.9 | Confident | 88 | Confident | 36 Ų | 36 | 22.8 Ų | 22.8 | 17% | 0.167 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | -178.2 | -71.6 | 179.7 | 0 | 0 | 0 | 111.1 | N124 L125 C130 I131 K132 Y185 P236 | N124-H128 WeakPolarHBondContact O-CB 3.31Å; N124-H128 PolarHBondContact O-CD2 2.94Å; N124-H128 VanDerWaalsContact O-CG 3.23Å; N124-H128 PolarHBondContact O-N 3.44Å; L125-H128 PolarHBondContact O-N 3.31Å; H128-C130 PolarHBondContact O-N 2.98Å; H128-I131 PolarHBondContact O-N 3.35Å; H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 PolarHBondContact O-N 2.92Å; H128-Y185 PolarHBondContact CD2-OH 2.66Å; H128-Y185 PolarHBondContact NE2-OH 3.26Å; H128-P236 HydrophobicContact CB-CG 4.44Å |
| 129 | M | 86.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 179.9 | -70.5 | -175.6 | 71.6 | 0 | 0 | 111.9 | M78 N86 V89 L93 L125 H133 L234 | M78-M129 HydrophobicContact CG-CE 3.89Å; M78-M129 HydrophobicContact CG-CG 4.3Å; M78-M129 HydrophobicContact SD-CG 4.24Å; N86-M129 HydrophobicContact CB-CE 4.37Å; V89-M129 HydrophobicContact CB-CE 3.8Å; V89-M129 HydrophobicContact CG1-CE 3.56Å; V89-M129 HydrophobicContact CG1-SD 3.95Å; L93-M129 HydrophobicContact CD1-SD 3.6Å; L125-M129 HydrophobicContact CD1-CG 4.46Å; L125-M129 HydrophobicContact CG-CG 4.46Å; L125-M129 HydrophobicContact CG-SD 4.14Å; L125-M129 WeakPolarHBondContact O-CB 3.46Å; L125-M129 VanDerWaalsContact O-CG 3.29Å; L125-M129 WeakPolarHBondContact O-CG 3.4Å; L125-M129 PolarHBondContact O-N 3.21Å; M129-H133 WeakPolarHBondContact O-CB 3.22Å; M129-H133 PolarHBondContact O-N 3.42Å; M129-L234 HydrophobicContact CG-CD2 3.73Å; M129-L234 HydrophobicContact SD-CD2 4.47Å |
| 130 | C | 89 | Confident | 86.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | A126 H128 H133 L134 V155 | A126-C130 VanDerWaalsContact O-CB 3.23Å; A126-C130 WeakPolarHBondContact O-CB 3.29Å; A126-C130 PolarHBondContact O-N 2.87Å; H128-C130 PolarHBondContact O-N 2.98Å; C130-H133 PolarHBondContact O-N 3.2Å; C130-L134 VanDerWaalsContact O-CG 3.29Å; C130-L134 WeakPolarHBondContact O-CG 3.43Å; C130-L134 PolarHBondContact O-N 3.46Å; C130-V155 HydrophobicContact CB-CG1 3.76Å |
| 131 | I | 89.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | -178.3 | -62.8 | 175.5 | 0 | 0 | 0 | 110.2 | C127 H128 L134 Q135 I159 Y185 P236 | C127-I131 WeakPolarHBondContact O-CB 3.48Å; C127-I131 VanDerWaalsContact O-CG1 3.29Å; C127-I131 WeakPolarHBondContact O-CG1 3.39Å; C127-I131 PolarHBondContact O-N 3.14Å; C127-I131 VanDerWaalsContact SG-CD1 3.56Å; H128-I131 PolarHBondContact O-N 3.35Å; I131-L134 PolarHBondContact O-N 3.42Å; I131-Q135 HydrophobicContact CG2-CG 4.44Å; I131-Q135 WeakPolarHBondContact O-CG 3.3Å; I131-Q135 PolarHBondContact O-N 2.71Å; I131-I159 HydrophobicContact CD1-CD1 4.49Å; I131-Y185 HydrophobicContact CD1-CD2 3.73Å; I131-Y185 HydrophobicContact CD1-CE2 4.04Å; I131-Y185 HydrophobicContact CG2-CD2 4.47Å; I131-P236 HydrophobicContact CB-CB 4.17Å; I131-P236 HydrophobicContact CB-CG 3.84Å; I131-P236 HydrophobicContact CG2-CB 3.68Å; I131-P236 HydrophobicContact CG2-CG 3.92Å |
| 132 | K | 86.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177 | -178.9 | 57.8 | 165.9 | 166.7 | 0 | 111.5 | M78 H128 L134 Q135 E136 Q233 P236 Y237 | M78-K132 HydrophobicContact CE-CG 4.21Å; M78-K132 HydrophobicContact SD-CB 4.44Å; M78-K132 HydrophobicContact SD-CG 4.1Å; H128-K132 WeakPolarHBondContact O-CB 3.43Å; H128-K132 PolarHBondContact O-N 2.92Å; K132-L134 PolarHBondContact O-N 3.17Å; K132-Q135 PolarHBondContact O-N 3.06Å; K132-E136 HydrophobicContact CD-CG 4.46Å; K132-E136 WeakPolarHBondContact CE-OE1 3.33Å; K132-E136 IonicContact NZ-OE1 2.79Å; K132-E136 PolarHBondContact NZ-OE1 3.16Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 3.32Å; K132-Q233 VanDerWaalsContact CE-O 3.29Å; K132-Q233 WeakPolarHBondContact CE-O 2.94Å; K132-P236 HydrophobicContact CB-CG 4.45Å; K132-Y237 PolarHBondContact NZ-OH 3.49Å; K132-Y237 VanDerWaalsContact NZ-OH 3.09Å |
| 133 | H | 85.4 | Confident | 82.5 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -47.7 | 174.4 | 164.3 | 61.8 | 0 | 0 | 0 | 111.9 | L83 N86 M129 C130 Q135 E136 L137 | L83-H133 VanDerWaalsContact C-CE1 3.47Å; L83-H133 PolarHBondContact O-CE1 2.67Å; L83-H133 PolarHBondContact O-ND1 3.03Å; N86-H133 HydrophobicContact CB-CB 4.3Å; M129-H133 WeakPolarHBondContact O-CB 3.22Å; M129-H133 PolarHBondContact O-N 3.42Å; C130-H133 PolarHBondContact O-N 3.2Å; H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 3.45Å; H133-E136 PolarHBondContact O-N 2.94Å; H133-L137 WeakPolarHBondContact O-CB 3.38Å; H133-L137 PolarHBondContact O-N 3.1Å |
| 134 | L | 86.4 | Confident | 80.2 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.6 | -67.7 | 171.3 | 0 | 0 | 0 | 112 | C130 I131 K132 L137 D138 V149 V151 L188 A190 T191 | C130-L134 VanDerWaalsContact O-CG 3.29Å; C130-L134 WeakPolarHBondContact O-CG 3.43Å; C130-L134 PolarHBondContact O-N 3.46Å; I131-L134 PolarHBondContact O-N 3.42Å; K132-L134 PolarHBondContact O-N 3.17Å; L134-L137 PolarHBondContact O-N 2.95Å; L134-D138 WeakPolarHBondContact O-CB 3.43Å; L134-D138 PolarHBondContact O-N 3.35Å; L134-V149 HydrophobicContact CD2-CB 4.41Å; L134-V149 HydrophobicContact CD2-CG1 3.47Å; L134-V149 VanDerWaalsContact CD2-CG1 3.47Å; L134-V151 HydrophobicContact CD1-CG2 3.64Å; L134-L188 HydrophobicContact CB-CD1 3.8Å; L134-A190 HydrophobicContact CD1-CB 4.14Å; L134-A190 HydrophobicContact CD2-CB 4.23Å; L134-T191 HydrophobicContact CD1-CG2 4.29Å |
| 135 | Q | 86.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -41 | 176.3 | -73 | 177.5 | -21.9 | 0 | 0 | 112.5 | I131 K132 H133 R139 L188 Y237 | I131-Q135 HydrophobicContact CG2-CG 4.44Å; I131-Q135 WeakPolarHBondContact O-CG 3.3Å; I131-Q135 PolarHBondContact O-N 2.71Å; K132-Q135 PolarHBondContact O-N 3.06Å; H133-Q135 VanDerWaalsContact C-N 3.3Å; H133-Q135 PolarHBondContact O-N 3.45Å; Q135-R139 WeakPolarHBondContact O-CG 3.46Å; Q135-R139 PolarHBondContact O-N 3.48Å; Q135-L188 HydrophobicContact CB-CD1 4.27Å; Q135-L188 HydrophobicContact CG-CD1 3.45Å; Q135-L188 VanDerWaalsContact CG-CD1 3.45Å; Q135-L188 HydrophobicContact CG-CD2 4.37Å; Q135-L188 HydrophobicContact CG-CG 4.15Å; Q135-Y237 HydrophobicContact CB-CD2 4.22Å; Q135-Y237 PolarHBondContact NE2-O 3.31Å; Q135-Y237 VanDerWaalsContact NE2-O 3.11Å |
| 136 | E | 83.9 | Confident | 76.1 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.3 | -37.8 | 176.2 | -64.2 | -56.5 | 159.3 | 0 | 0 | 111.7 | L83 K132 H133 R139 T140 Y237 | L83-E136 HydrophobicContact CD2-CB 3.65Å; K132-E136 HydrophobicContact CD-CG 4.46Å; K132-E136 WeakPolarHBondContact CE-OE1 3.33Å; K132-E136 IonicContact NZ-OE1 2.79Å; K132-E136 PolarHBondContact NZ-OE1 3.16Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 3.32Å; H133-E136 PolarHBondContact O-N 2.94Å; E136-R139 PolarHBondContact O-N 3.17Å; E136-R139 IonicContact OE2-NH1 3.39Å; E136-T140 WeakPolarHBondContact O-CG2 3.49Å; E136-T140 PolarHBondContact O-N 2.86Å; E136-T140 VanDerWaalsContact O-N 3.11Å; E136-T140 PolarHBondContact O-OG1 3.36Å; E136-Y237 VanDerWaalsContact OE1-CE2 3.26Å; E136-Y237 WeakPolarHBondContact OE1-CE2 3.28Å; E136-Y237 PolarHBondContact OE1-OH 3.24Å; E136-Y237 VanDerWaalsContact OE1-OH 3.11Å |
| 137 | L | 80.9 | Confident | 74.1 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 176.7 | -171.3 | 149.1 | 0 | 0 | 0 | 111 | L83 H133 L134 R139 T140 Q141 V149 | L83-L137 HydrophobicContact CD1-CB 4.39Å; H133-L137 WeakPolarHBondContact O-CB 3.38Å; H133-L137 PolarHBondContact O-N 3.1Å; L134-L137 PolarHBondContact O-N 2.95Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.25Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 VanDerWaalsContact O-N 3.09Å; L137-T140 PolarHBondContact O-OG1 3.49Å; L137-Q141 HydrophobicContact CD2-CG 4.1Å; L137-Q141 VanDerWaalsContact CD2-NE2 3.33Å; L137-Q141 WeakPolarHBondContact O-CG 3.49Å; L137-Q141 PolarHBondContact O-N 2.94Å; L137-Q141 VanDerWaalsContact O-N 3.09Å; L137-V149 HydrophobicContact CD2-CG2 4.15Å |
| 138 | D | 80.3 | Confident | 72.5 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 176.1 | -169 | 67.7 | 0 | 0 | 0 | 112.6 | L134 T140 L188 | L134-D138 WeakPolarHBondContact O-CB 3.43Å; L134-D138 PolarHBondContact O-N 3.35Å; D138-T140 VanDerWaalsContact C-N 3.34Å; D138-T140 PolarHBondContact O-N 3.06Å; D138-L188 HydrophobicContact CB-CD2 3.46Å; D138-L188 VanDerWaalsContact CB-CD2 3.46Å; D138-L188 VanDerWaalsContact CG-CD2 3.49Å; D138-L188 WeakPolarHBondContact OD2-CD2 3.45Å |
| 139 | R | 78.9 | Confident | 71.7 | Confident | 164 Ų | 164 | 70.1 Ų | 70.1 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.1 | -28.9 | 175.1 | -72.2 | 177.9 | 75.4 | -169.4 | 6.7 | 113.9 | Q135 E136 L137 Y237 | Q135-R139 WeakPolarHBondContact O-CG 3.46Å; Q135-R139 PolarHBondContact O-N 3.48Å; E136-R139 PolarHBondContact O-N 3.17Å; E136-R139 IonicContact OE2-NH1 3.39Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 3.25Å; R139-Y237 PolarHBondContact NH1-OH 3.44Å; R139-Y237 VanDerWaalsContact NH1-OH 3.1Å |
| 140 | T | 74.3 | Confident | 71.5 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -88.5 | -18.5 | -178.5 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | E136 L137 D138 | E136-T140 WeakPolarHBondContact O-CG2 3.49Å; E136-T140 PolarHBondContact O-N 2.86Å; E136-T140 VanDerWaalsContact O-N 3.11Å; E136-T140 PolarHBondContact O-OG1 3.36Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 VanDerWaalsContact O-N 3.09Å; L137-T140 PolarHBondContact O-OG1 3.49Å; D138-T140 VanDerWaalsContact C-N 3.34Å; D138-T140 PolarHBondContact O-N 3.06Å |
| 141 | Q | 67 | Low | 71.3 | Confident | 55 Ų | 55 | 74 Ų | 74 | 26% | 0.257 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -77.7 | 134.8 | -179.4 | -78.2 | -168.3 | -9.3 | 0 | 0 | 111.8 | L137 | L137-Q141 HydrophobicContact CD2-CG 4.1Å; L137-Q141 VanDerWaalsContact CD2-NE2 3.33Å; L137-Q141 WeakPolarHBondContact O-CG 3.49Å; L137-Q141 PolarHBondContact O-N 2.94Å; L137-Q141 VanDerWaalsContact O-N 3.09Å |
| 142 | P | 58.8 | Low | 71.2 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 60% | 0.604 | 40% | 0.396 | S | S | * | . | trans | -65.5 | 148 | 165.6 | 27.8 | -31.6 | 0 | 0 | 0 | 109.7 | H144 T145 | P142-H144 PolarHBondContact O-N 3.11Å; P142-T145 PolarHBondContact O-N 3.08Å; P142-T145 PolarHBondContact O-OG1 3.42Å | ||
| 143 | E | 57.2 | Low | 71.2 | Confident | 188 Ų | 188 | 76.5 Ų | 76.5 | 88% | 0.879 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 0.7 | -173 | -63.4 | -172.8 | 161.3 | 0 | 0 | 116.4 | ||
| 144 | H | 45.5 | Very low | 71.4 | Confident | 167 Ų | 167 | 76.8 Ų | 76.8 | 77% | 0.773 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 4.3 | -172.1 | -61.3 | -33.9 | 0 | 0 | 0 | 115.8 | P142 N146 | P142-H144 PolarHBondContact O-N 3.11Å; H144-N146 PolarHBondContact O-N 3.19Å |
| 145 | T | 47.6 | Very low | 71.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | trans | -89 | 97.7 | 173.6 | 28.4 | 0 | 0 | 0 | 0 | 112 | P142 L147 | P142-T145 PolarHBondContact O-N 3.08Å; P142-T145 PolarHBondContact O-OG1 3.42Å; T145-L147 PolarHBondContact O-N 2.87Å | ||
| 146 | N | 44.4 | Very low | 71.8 | Confident | 166 Ų | 166 | 78 Ų | 78 | 89% | 0.888 | 42% | 0.42 | S | S | * | . | trans | -72.9 | 46.2 | 174.2 | -74.2 | -18.1 | 0 | 0 | 0 | 113.4 | H144 S148 | H144-N146 PolarHBondContact O-N 3.19Å; N146-S148 PolarHBondContact O-N 3.16Å | ||
| 147 | L | 48.5 | Very low | 72.1 | Confident | 121 Ų | 121 | 80.9 Ų | 80.9 | 63% | 0.634 | 43% | 0.432 | S | S | * | . | trans | -75.1 | 108.7 | 167.2 | -81.9 | 156.5 | 0 | 0 | 0 | 107.2 | T145 V149 | T145-L147 PolarHBondContact O-N 2.87Å; L147-V149 HydrophobicContact CB-CG2 4.22Å; L147-V149 PolarHBondContact O-N 3Å | ||
| 148 | S | 56.8 | Low | 72.7 | Confident | 119 Ų | 119 | 79.3 Ų | 79.3 | 83% | 0.832 | 42% | 0.423 | S | S | * | . | trans | -72.1 | 66.1 | 178 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | N146 S150 | N146-S148 PolarHBondContact O-N 3.16Å; S148-S150 PolarHBondContact O-N 3.45Å | ||
| 149 | V | 73.1 | Confident | 73.3 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | trans | -71.4 | 117.8 | 173.4 | -171.4 | 0 | 0 | 0 | 0 | 107 | L134 L137 L147 A190 | L134-V149 HydrophobicContact CD2-CB 4.41Å; L134-V149 HydrophobicContact CD2-CG1 3.47Å; L134-V149 VanDerWaalsContact CD2-CG1 3.47Å; L137-V149 HydrophobicContact CD2-CG2 4.15Å; L147-V149 HydrophobicContact CB-CG2 4.22Å; L147-V149 PolarHBondContact O-N 3Å; V149-A190 WeakPolarHBondContact O-CA 3.34Å; V149-A190 WeakPolarHBondContact O-CB 3.25Å | ||
| 150 | S | 80.1 | Confident | 74 | Confident | 77 Ų | 77 | 70.8 Ų | 70.8 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | trans | -111 | 162.2 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | S148 P152 | S148-S150 PolarHBondContact O-N 3.45Å; S150-P152 WeakPolarHBondContact O-CD 3.26Å | ||
| 151 | V | 85.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | trans | -62.9 | 126.4 | 168.8 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | L134 V155 E156 A190 T191 | L134-V151 HydrophobicContact CD1-CG2 3.64Å; V151-V155 HydrophobicContact CG1-CB 4.21Å; V151-V155 HydrophobicContact CG1-CG1 4.26Å; V151-E156 HydrophobicContact CG1-CB 3.97Å; V151-A190 PolarHBondContact N-O 3.49Å; V151-T191 HydrophobicContact CG2-CG2 4.02Å | ||
| 152 | P | 87.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | trans | -55.2 | 136.7 | 178.4 | -29.4 | 36.8 | 0 | 0 | 0 | 111.8 | H87 E91 S150 I154 V155 E156 | H87-P152 WeakPolarHBondContact CE1-CG 3.41Å; E91-P152 HydrophobicContact CG-CB 4.22Å; E91-P152 HydrophobicContact CG-CG 4.17Å; E91-P152 WeakPolarHBondContact OE1-CB 3.22Å; E91-P152 WeakPolarHBondContact OE1-CG 3.38Å; S150-P152 WeakPolarHBondContact O-CD 3.26Å; P152-I154 PolarHBondContact O-N 3.17Å; P152-V155 HydrophobicContact CB-CB 4.35Å; P152-V155 HydrophobicContact CB-CG2 4.08Å; P152-V155 HydrophobicContact CG-CG2 4.33Å; P152-V155 WeakPolarHBondContact O-CA 3.3Å; P152-V155 PolarHBondContact O-N 2.72Å; P152-E156 PolarHBondContact O-N 3.39Å | ||
| 153 | P | 85.8 | Confident | 77.8 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.6 | -34.8 | -175.8 | -28.7 | 34.5 | 0 | 0 | 0 | 113.9 | F14 K157 | F14-P153 HydrophobicContact CD2-CG 3.98Å; F14-P153 HydrophobicContact CE2-CG 4.34Å; F14-P153 HydrophobicContact CG-CG 4.46Å; P153-K157 WeakPolarHBondContact O-CB 3.19Å; P153-K157 PolarHBondContact O-N 2.83Å |
| 154 | I | 89.2 | Confident | 79.4 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 177 | -60.4 | 176 | 0 | 0 | 0 | 110.9 | K53 L57 A94 V95 L98 P152 V158 | K53-I154 HydrophobicContact CD-CD1 4.42Å; K53-I154 HydrophobicContact CG-CD1 4.31Å; L57-I154 HydrophobicContact CD2-CD1 4.21Å; A94-I154 HydrophobicContact CB-CG2 4.05Å; V95-I154 HydrophobicContact CG2-CD1 4.34Å; V95-I154 HydrophobicContact CG2-CG2 4.05Å; L98-I154 HydrophobicContact CD1-CG2 3.79Å; P152-I154 PolarHBondContact O-N 3.17Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 2.78Å; I154-V158 VanDerWaalsContact O-N 3.1Å |
| 155 | V | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71 | -42.7 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | E91 A94 C130 V151 P152 K157 V158 I159 | E91-V155 HydrophobicContact CG-CG2 4.08Å; A94-V155 HydrophobicContact CB-CG2 4.09Å; C130-V155 HydrophobicContact CB-CG1 3.76Å; V151-V155 HydrophobicContact CG1-CB 4.21Å; V151-V155 HydrophobicContact CG1-CG1 4.26Å; P152-V155 HydrophobicContact CB-CB 4.35Å; P152-V155 HydrophobicContact CB-CG2 4.08Å; P152-V155 HydrophobicContact CG-CG2 4.33Å; P152-V155 WeakPolarHBondContact O-CA 3.3Å; P152-V155 PolarHBondContact O-N 2.72Å; V155-K157 VanDerWaalsContact C-N 3.3Å; V155-K157 PolarHBondContact O-N 2.92Å; V155-V158 PolarHBondContact O-N 3.23Å; V155-V158 VanDerWaalsContact O-N 3.11Å; V155-I159 HydrophobicContact CG1-CD1 3.93Å; V155-I159 HydrophobicContact CG1-CG1 4.3Å; V155-I159 VanDerWaalsContact O-CG1 3.29Å; V155-I159 WeakPolarHBondContact O-CG1 3.39Å; V155-I159 PolarHBondContact O-N 2.94Å |
| 156 | E | 91.2 | Very high | 83.7 | Confident | 38 Ų | 38 | 47 Ų | 47 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 175.1 | -169.6 | -179.5 | 176.8 | 0 | 0 | 111.3 | V151 P152 V158 I159 Q160 S193 L194 | V151-E156 HydrophobicContact CG1-CB 3.97Å; P152-E156 PolarHBondContact O-N 3.39Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 3.1Å; E156-I159 PolarHBondContact O-N 3.37Å; E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.04Å; E156-Q160 VanDerWaalsContact O-N 3.13Å; E156-S193 PolarHBondContact OE1-OG 3.46Å; E156-L194 HydrophobicContact CG-CB 4.22Å; E156-L194 HydrophobicContact CG-CD1 3.88Å |
| 157 | K | 90.9 | Very high | 85.9 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 46% | 0.457 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 175.3 | -179.2 | -179.9 | -179 | -179.7 | 0 | 111.9 | P153 V155 Q160 K161 | P153-K157 WeakPolarHBondContact O-CB 3.19Å; P153-K157 PolarHBondContact O-N 2.83Å; V155-K157 VanDerWaalsContact C-N 3.3Å; V155-K157 PolarHBondContact O-N 2.92Å; K157-Q160 PolarHBondContact O-N 3.45Å; K157-K161 WeakPolarHBondContact O-CG 3.48Å; K157-K161 PolarHBondContact O-N 3.14Å; K157-K161 VanDerWaalsContact O-N 3.12Å |
| 158 | V | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -41.5 | 179.5 | 159.4 | 0 | 0 | 0 | 0 | 112 | A94 L98 F123 I154 V155 E156 Q160 K161 I162 | A94-V158 HydrophobicContact CB-CB 4.24Å; A94-V158 HydrophobicContact CB-CG1 4.44Å; A94-V158 HydrophobicContact CB-CG2 3.87Å; L98-V158 HydrophobicContact CD1-CG2 3.82Å; L98-V158 HydrophobicContact CD2-CG2 3.91Å; L98-V158 HydrophobicContact CG-CG2 3.66Å; F123-V158 HydrophobicContact CB-CG1 3.47Å; F123-V158 VanDerWaalsContact CB-CG1 3.47Å; F123-V158 HydrophobicContact CD1-CB 4.21Å; F123-V158 HydrophobicContact CD1-CG1 3.18Å; F123-V158 HydrophobicContact CD1-CG2 4Å; F123-V158 HydrophobicContact CD2-CG1 3.95Å; F123-V158 HydrophobicContact CE1-CB 4.28Å; F123-V158 HydrophobicContact CE1-CG1 3.71Å; F123-V158 HydrophobicContact CE1-CG2 3.61Å; F123-V158 HydrophobicContact CE2-CG1 4.42Å; F123-V158 HydrophobicContact CG-CB 4.47Å; F123-V158 HydrophobicContact CG-CG1 3.3Å; F123-V158 HydrophobicContact CZ-CG1 4.33Å; F123-V158 HydrophobicContact CZ-CG2 4.01Å; I154-V158 WeakPolarHBondContact O-CG2 3.49Å; I154-V158 PolarHBondContact O-N 2.78Å; I154-V158 VanDerWaalsContact O-N 3.1Å; V155-V158 PolarHBondContact O-N 3.23Å; V155-V158 VanDerWaalsContact O-N 3.11Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 3.1Å; V158-Q160 VanDerWaalsContact C-N 3.32Å; V158-Q160 PolarHBondContact O-N 3.04Å; V158-K161 WeakPolarHBondContact O-CB 3.47Å; V158-K161 PolarHBondContact O-N 3.25Å; V158-K161 VanDerWaalsContact O-N 3.13Å; V158-I162 PolarHBondContact O-N 3.25Å |
| 159 | I | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 177.8 | -63.9 | 169.1 | 0 | 0 | 0 | 110.7 | C127 I131 V155 E156 K161 I162 P163 I182 L194 L198 | C127-I159 HydrophobicContact CB-CD1 4.18Å; C127-I159 HydrophobicContact CB-CG1 3.76Å; I131-I159 HydrophobicContact CD1-CD1 4.49Å; V155-I159 HydrophobicContact CG1-CD1 3.93Å; V155-I159 HydrophobicContact CG1-CG1 4.3Å; V155-I159 VanDerWaalsContact O-CG1 3.29Å; V155-I159 WeakPolarHBondContact O-CG1 3.39Å; V155-I159 PolarHBondContact O-N 2.94Å; E156-I159 PolarHBondContact O-N 3.37Å; I159-K161 VanDerWaalsContact C-N 3.26Å; I159-K161 PolarHBondContact O-N 3.29Å; I159-I162 PolarHBondContact O-N 3.48Å; I159-P163 WeakPolarHBondContact O-CD 3.46Å; I159-I182 HydrophobicContact CG2-CD1 4.13Å; I159-I182 HydrophobicContact CG2-CG2 4.18Å; I159-L194 HydrophobicContact CB-CD1 4.03Å; I159-L194 HydrophobicContact CD1-CD2 3.63Å; I159-L194 HydrophobicContact CG2-CD1 3.83Å; I159-L194 HydrophobicContact CG2-CD2 4.14Å; I159-L198 HydrophobicContact CG2-CD1 4.14Å |
| 160 | Q | 93.6 | Very high | 89.9 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -29.2 | 176.8 | -67.8 | -178 | 44.8 | 0 | 0 | 112.9 | E156 K157 V158 P163 L194 L198 | E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.04Å; E156-Q160 VanDerWaalsContact O-N 3.13Å; K157-Q160 PolarHBondContact O-N 3.45Å; V158-Q160 VanDerWaalsContact C-N 3.32Å; V158-Q160 PolarHBondContact O-N 3.04Å; Q160-P163 WeakPolarHBondContact O-CD 3.22Å; Q160-L194 HydrophobicContact CG-CD1 4.17Å; Q160-L198 HydrophobicContact CG-CD2 4.25Å |
| 161 | K | 92.6 | Very high | 90.3 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.1 | -23.5 | 175.5 | -78.6 | -168.9 | 168.2 | -152 | 0 | 114.3 | L98 E101 F123 K157 V158 I159 E164 I165 | L98-K161 HydrophobicContact CD2-CD 4.19Å; E101-K161 IonicContact OE1-NZ 3.85Å; E101-K161 PolarHBondContact OE1-NZ 3.49Å; E101-K161 WeakPolarHBondContact OE2-CD 3.35Å; E101-K161 IonicContact OE2-NZ 3.72Å; E101-K161 PolarHBondContact OE2-NZ 2.87Å; F123-K161 HydrophobicContact CE2-CB 4.13Å; F123-K161 HydrophobicContact CE2-CD 4.42Å; K157-K161 WeakPolarHBondContact O-CG 3.48Å; K157-K161 PolarHBondContact O-N 3.14Å; K157-K161 VanDerWaalsContact O-N 3.12Å; V158-K161 WeakPolarHBondContact O-CB 3.47Å; V158-K161 PolarHBondContact O-N 3.25Å; V158-K161 VanDerWaalsContact O-N 3.13Å; I159-K161 VanDerWaalsContact C-N 3.26Å; I159-K161 PolarHBondContact O-N 3.29Å; K161-E164 WeakPolarHBondContact O-CB 3.38Å; K161-E164 PolarHBondContact O-N 3.26Å; K161-E164 VanDerWaalsContact O-N 3.17Å; K161-I165 HydrophobicContact CB-CD1 4.48Å; K161-I165 WeakPolarHBondContact O-CG1 3.39Å; K161-I165 PolarHBondContact O-N 2.91Å |
| 162 | I | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -54 | -177.1 | -65.7 | 163.7 | 0 | 0 | 0 | 111.3 | I120 F123 C127 V158 I159 E164 L166 K178 | I120-I162 HydrophobicContact CG2-CG2 4.42Å; F123-I162 HydrophobicContact CB-CD1 3.94Å; F123-I162 HydrophobicContact CB-CG1 3.56Å; F123-I162 HydrophobicContact CD2-CG1 4.32Å; F123-I162 HydrophobicContact CG-CG1 4.45Å; C127-I162 HydrophobicContact CB-CD1 4.26Å; V158-I162 PolarHBondContact O-N 3.25Å; I159-I162 PolarHBondContact O-N 3.48Å; I162-E164 VanDerWaalsContact C-N 3.35Å; I162-L166 PolarHBondContact O-N 3.39Å; I162-K178 HydrophobicContact CG2-CB 4.38Å; I162-K178 HydrophobicContact CG2-CD 4.4Å; I162-K178 HydrophobicContact CG2-CG 4.12Å |
| 163 | P | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -32.8 | 176.6 | -17.7 | 33.7 | 0 | 0 | 0 | 112.4 | I159 Q160 I165 L166 I167 A175 Y179 | I159-P163 WeakPolarHBondContact O-CD 3.46Å; Q160-P163 WeakPolarHBondContact O-CD 3.22Å; P163-I165 PolarHBondContact O-N 3.46Å; P163-L166 PolarHBondContact O-N 3.32Å; P163-I167 WeakPolarHBondContact O-CD1 3.34Å; P163-I167 WeakPolarHBondContact O-CG1 3.22Å; P163-I167 PolarHBondContact O-N 3.5Å; P163-A175 HydrophobicContact CB-CB 4.29Å; P163-Y179 HydrophobicContact CB-CD2 3.8Å; P163-Y179 HydrophobicContact CB-CE1 4.13Å; P163-Y179 HydrophobicContact CB-CE2 3.23Å; P163-Y179 HydrophobicContact CB-CG 4.43Å; P163-Y179 VanDerWaalsContact CB-CZ 3.42Å; P163-Y179 HydrophobicContact CG-CD1 4.08Å; P163-Y179 HydrophobicContact CG-CD2 4.1Å; P163-Y179 HydrophobicContact CG-CE1 3.77Å; P163-Y179 HydrophobicContact CG-CE2 3.78Å; P163-Y179 HydrophobicContact CG-CG 4.23Å |
| 164 | E | 91.3 | Very high | 91 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 178.7 | -169.7 | -173.2 | 165.2 | 0 | 0 | 112.1 | K161 I162 L166 I167 N168 | K161-E164 WeakPolarHBondContact O-CB 3.38Å; K161-E164 PolarHBondContact O-N 3.26Å; K161-E164 VanDerWaalsContact O-N 3.17Å; I162-E164 VanDerWaalsContact C-N 3.35Å; E164-L166 VanDerWaalsContact C-N 3.3Å; E164-L166 PolarHBondContact O-N 3.2Å; E164-I167 PolarHBondContact O-N 3.34Å; E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 PolarHBondContact O-N 2.95Å; E164-N168 PolarHBondContact O-ND2 2.85Å |
| 165 | I | 91.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.6 | -65.6 | 170.6 | 0 | 0 | 0 | 110.6 | K116 I119 I120 F123 K161 P163 N168 K169 | K116-I165 HydrophobicContact CB-CG2 4.12Å; K116-I165 HydrophobicContact CD-CG2 4.21Å; K116-I165 HydrophobicContact CG-CG2 4.31Å; I119-I165 HydrophobicContact CG2-CD1 4.06Å; I120-I165 HydrophobicContact CD1-CB 4.39Å; I120-I165 HydrophobicContact CD1-CG2 3.79Å; I120-I165 HydrophobicContact CG1-CB 4.35Å; I120-I165 HydrophobicContact CG1-CG2 4.01Å; F123-I165 HydrophobicContact CD2-CD1 4.01Å; F123-I165 HydrophobicContact CE2-CD1 3.64Å; K161-I165 HydrophobicContact CB-CD1 4.48Å; K161-I165 WeakPolarHBondContact O-CG1 3.39Å; K161-I165 PolarHBondContact O-N 2.91Å; P163-I165 PolarHBondContact O-N 3.46Å; I165-N168 PolarHBondContact O-N 3.49Å; I165-K169 WeakPolarHBondContact O-CG 3.48Å; I165-K169 PolarHBondContact O-N 3.1Å |
| 166 | L | 91.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.1 | -71.3 | 168.8 | 0 | 0 | 0 | 111.8 | I120 I162 P163 E164 N168 K169 G170 D171 A175 K178 | I120-L166 HydrophobicContact CD1-CD2 3.71Å; I120-L166 HydrophobicContact CD1-CG 3.98Å; I162-L166 PolarHBondContact O-N 3.39Å; P163-L166 PolarHBondContact O-N 3.32Å; E164-L166 VanDerWaalsContact C-N 3.3Å; E164-L166 PolarHBondContact O-N 3.2Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.94Å; L166-K169 WeakPolarHBondContact O-CB 3.3Å; L166-K169 PolarHBondContact O-N 3.3Å; L166-K169 VanDerWaalsContact O-N 3.14Å; L166-G170 PolarHBondContact O-N 3.31Å; L166-D171 HydrophobicContact CD2-CB 4.36Å; L166-D171 PolarHBondContact O-N 3.21Å; L166-A175 HydrophobicContact CB-CB 3.91Å; L166-K178 HydrophobicContact CD1-CB 4.33Å; L166-K178 HydrophobicContact CD1-CG 3.57Å |
| 167 | I | 89.8 | Confident | 91.2 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -45 | 174.5 | -65.7 | 157.3 | 0 | 0 | 0 | 110.3 | P163 E164 K169 G170 A175 L205 | P163-I167 WeakPolarHBondContact O-CD1 3.34Å; P163-I167 WeakPolarHBondContact O-CG1 3.22Å; P163-I167 PolarHBondContact O-N 3.5Å; E164-I167 PolarHBondContact O-N 3.34Å; I167-K169 PolarHBondContact O-N 3.33Å; I167-G170 WeakPolarHBondContact O-CA 3.4Å; I167-G170 PolarHBondContact O-N 3.31Å; I167-A175 HydrophobicContact CD1-CB 4.35Å; I167-A175 HydrophobicContact CG1-CB 3.71Å; I167-L205 HydrophobicContact CD1-CD1 3.61Å; I167-L205 HydrophobicContact CD1-CD2 4.26Å; I167-L205 HydrophobicContact CD1-CG 4.48Å; I167-L205 HydrophobicContact CG1-CD1 3.78Å |
| 168 | N | 88.2 | Confident | 91.2 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 57% | 0.572 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66 | -21.6 | 178.4 | -70 | -18.2 | 0 | 0 | 0 | 113.1 | E164 I165 L166 | E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 PolarHBondContact O-N 2.95Å; E164-N168 PolarHBondContact O-ND2 2.85Å; I165-N168 PolarHBondContact O-N 3.49Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.94Å |
| 169 | K | 87.8 | Confident | 91.3 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -82.3 | -12.9 | 169.9 | -73.2 | -178.1 | 177.2 | -152.8 | 0 | 113.4 | S113 K116 D117 I165 L166 I167 | S113-K169 PolarHBondContact O-NZ 3Å; K116-K169 HydrophobicContact CD-CG 4.15Å; D117-K169 IonicContact OD1-NZ 2.71Å; D117-K169 PolarHBondContact OD1-NZ 3.42Å; D117-K169 IonicContact OD2-NZ 2.76Å; D117-K169 PolarHBondContact OD2-NZ 2.97Å; I165-K169 WeakPolarHBondContact O-CG 3.48Å; I165-K169 PolarHBondContact O-N 3.1Å; L166-K169 WeakPolarHBondContact O-CB 3.3Å; L166-K169 PolarHBondContact O-N 3.3Å; L166-K169 VanDerWaalsContact O-N 3.14Å; I167-K169 PolarHBondContact O-N 3.33Å |
| 170 | G | 86.5 | Confident | 91.2 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 4.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L166 I167 I172 | L166-G170 PolarHBondContact O-N 3.31Å; I167-G170 WeakPolarHBondContact O-CA 3.4Å; I167-G170 PolarHBondContact O-N 3.31Å; G170-I172 VanDerWaalsContact C-N 3.31Å; G170-I172 PolarHBondContact O-N 2.91Å |
| 171 | D | 90.4 | Very high | 91 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | trans | -85.7 | 71.6 | 176.3 | -175.6 | 15.8 | 0 | 0 | 0 | 111.2 | L166 P173 G174 A175 | L166-D171 HydrophobicContact CD2-CB 4.36Å; L166-D171 PolarHBondContact O-N 3.21Å; D171-P173 WeakPolarHBondContact OD1-CD 3.42Å; D171-G174 PolarHBondContact O-N 3.3Å; D171-G174 PolarHBondContact OD1-N 2.99Å; D171-G174 WeakPolarHBondContact OD2-CA 3.37Å; D171-A175 PolarHBondContact O-N 2.9Å | ||
| 172 | I | 91.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.5 | -60.2 | 164.2 | 0 | 0 | 0 | 111.7 | G170 G174 A175 I176 V210 | G170-I172 VanDerWaalsContact C-N 3.31Å; G170-I172 PolarHBondContact O-N 2.91Å; I172-G174 VanDerWaalsContact C-N 3.34Å; I172-G174 PolarHBondContact O-N 2.93Å; I172-A175 PolarHBondContact O-N 3.09Å; I172-I176 HydrophobicContact CG2-CD1 3.87Å; I172-I176 HydrophobicContact CG2-CG1 4.35Å; I172-I176 VanDerWaalsContact O-CG1 3.31Å; I172-I176 WeakPolarHBondContact O-CG1 3.45Å; I172-I176 PolarHBondContact O-N 3.41Å; I172-V210 HydrophobicContact CG2-CG2 4.06Å |
| 173 | P | 90.4 | Very high | 90.7 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 59% | 0.591 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.9 | -41.8 | 177 | -23.6 | 35.1 | 0 | 0 | 0 | 113.1 | D171 I176 S177 | D171-P173 WeakPolarHBondContact OD1-CD 3.42Å; P173-I176 PolarHBondContact O-N 2.94Å; P173-S177 WeakPolarHBondContact O-CB 3.46Å; P173-S177 PolarHBondContact O-N 3.06Å |
| 174 | G | 89.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D171 I172 I176 S177 K178 | D171-G174 PolarHBondContact O-N 3.3Å; D171-G174 PolarHBondContact OD1-N 2.99Å; D171-G174 WeakPolarHBondContact OD2-CA 3.37Å; I172-G174 VanDerWaalsContact C-N 3.34Å; I172-G174 PolarHBondContact O-N 2.93Å; G174-I176 PolarHBondContact O-N 2.92Å; G174-S177 WeakPolarHBondContact O-CB 3.44Å; G174-S177 PolarHBondContact O-N 3.39Å; G174-K178 WeakPolarHBondContact O-CG 3.32Å; G174-K178 PolarHBondContact O-N 2.7Å |
| 175 | A | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P163 L166 I167 D171 I172 K178 Y179 L205 | P163-A175 HydrophobicContact CB-CB 4.29Å; L166-A175 HydrophobicContact CB-CB 3.91Å; I167-A175 HydrophobicContact CD1-CB 4.35Å; I167-A175 HydrophobicContact CG1-CB 3.71Å; D171-A175 PolarHBondContact O-N 2.9Å; I172-A175 PolarHBondContact O-N 3.09Å; A175-K178 PolarHBondContact O-N 3.48Å; A175-Y179 WeakPolarHBondContact O-CD2 3.5Å; A175-Y179 PolarHBondContact O-N 3.46Å; A175-L205 HydrophobicContact CB-CD2 4.12Å |
| 176 | I | 93 | Very high | 90.3 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.3 | -67.7 | 165.8 | 0 | 0 | 0 | 110.7 | I172 P173 G174 K178 Y179 R180 F202 L205 V210 | I172-I176 HydrophobicContact CG2-CD1 3.87Å; I172-I176 HydrophobicContact CG2-CG1 4.35Å; I172-I176 VanDerWaalsContact O-CG1 3.31Å; I172-I176 WeakPolarHBondContact O-CG1 3.45Å; I172-I176 PolarHBondContact O-N 3.41Å; P173-I176 PolarHBondContact O-N 2.94Å; G174-I176 PolarHBondContact O-N 2.92Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.23Å; I176-Y179 PolarHBondContact O-N 2.95Å; I176-R180 HydrophobicContact CG2-CG 4.44Å; I176-R180 VanDerWaalsContact CG2-CZ 3.48Å; I176-R180 VanDerWaalsContact O-CG 3.32Å; I176-R180 WeakPolarHBondContact O-CG 3.49Å; I176-R180 PolarHBondContact O-N 3.42Å; I176-F202 HydrophobicContact CB-CE2 4.39Å; I176-F202 HydrophobicContact CG1-CE2 4.34Å; I176-F202 HydrophobicContact CG2-CE2 4.03Å; I176-F202 HydrophobicContact CG2-CZ 4.26Å; I176-L205 HydrophobicContact CG1-CD2 3.93Å; I176-V210 HydrophobicContact CD1-CG2 3.57Å |
| 177 | S | 90.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 42 Ų | 42 | 44% | 0.441 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 111 | P173 G174 R180 T181 | P173-S177 WeakPolarHBondContact O-CB 3.46Å; P173-S177 PolarHBondContact O-N 3.06Å; G174-S177 WeakPolarHBondContact O-CB 3.44Å; G174-S177 PolarHBondContact O-N 3.39Å; S177-R180 PolarHBondContact O-N 3.35Å; S177-T181 PolarHBondContact O-N 3.45Å; S177-T181 PolarHBondContact O-OG1 3.38Å |
| 178 | K | 91.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 177 | -69.1 | -57.9 | -172.2 | 175.7 | 0 | 113.1 | N124 I162 L166 G174 A175 I176 R180 T181 I182 | N124-K178 PolarHBondContact ND2-NZ 3.46Å; N124-K178 PolarHBondContact OD1-NZ 2.7Å; I162-K178 HydrophobicContact CG2-CB 4.38Å; I162-K178 HydrophobicContact CG2-CD 4.4Å; I162-K178 HydrophobicContact CG2-CG 4.12Å; L166-K178 HydrophobicContact CD1-CB 4.33Å; L166-K178 HydrophobicContact CD1-CG 3.57Å; G174-K178 WeakPolarHBondContact O-CG 3.32Å; G174-K178 PolarHBondContact O-N 2.7Å; A175-K178 PolarHBondContact O-N 3.48Å; I176-K178 VanDerWaalsContact C-N 3.31Å; I176-K178 PolarHBondContact O-N 3.23Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 2.95Å; K178-T181 PolarHBondContact O-N 2.56Å; K178-I182 VanDerWaalsContact O-CG1 3.27Å; K178-I182 WeakPolarHBondContact O-CG1 3.42Å; K178-I182 PolarHBondContact O-N 2.7Å |
| 179 | Y | 94.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -47.4 | 173.8 | -83.5 | -63.7 | 0 | 0 | 0 | 111.7 | P163 A175 I176 T181 I182 L183 L198 R201 F202 L205 | P163-Y179 HydrophobicContact CB-CD2 3.8Å; P163-Y179 HydrophobicContact CB-CE1 4.13Å; P163-Y179 HydrophobicContact CB-CE2 3.23Å; P163-Y179 HydrophobicContact CB-CG 4.43Å; P163-Y179 VanDerWaalsContact CB-CZ 3.42Å; P163-Y179 HydrophobicContact CG-CD1 4.08Å; P163-Y179 HydrophobicContact CG-CD2 4.1Å; P163-Y179 HydrophobicContact CG-CE1 3.77Å; P163-Y179 HydrophobicContact CG-CE2 3.78Å; P163-Y179 HydrophobicContact CG-CG 4.23Å; A175-Y179 WeakPolarHBondContact O-CD2 3.5Å; A175-Y179 PolarHBondContact O-N 3.46Å; I176-Y179 PolarHBondContact O-N 2.95Å; Y179-T181 PolarHBondContact O-N 3.21Å; Y179-I182 PolarHBondContact O-N 2.95Å; Y179-L183 VanDerWaalsContact O-CB 3.29Å; Y179-L183 WeakPolarHBondContact O-CB 3.47Å; Y179-L183 VanDerWaalsContact O-CG 3.31Å; Y179-L183 WeakPolarHBondContact O-CG 3.45Å; Y179-L183 PolarHBondContact O-N 3.46Å; Y179-L198 HydrophobicContact CD1-CB 4.47Å; Y179-L198 HydrophobicContact CD1-CD2 4.25Å; Y179-L198 HydrophobicContact CE1-CB 4.45Å; Y179-L198 HydrophobicContact CE1-CD2 3.8Å; Y179-R201 HydrophobicContact CE1-CB 4.24Å; Y179-F202 HydrophobicContact CD1-CB 3.74Å; Y179-F202 HydrophobicContact CD1-CD2 4.35Å; Y179-F202 HydrophobicContact CD1-CG 4.26Å; Y179-F202 HydrophobicContact CD2-CB 4.31Å; Y179-F202 AromaticContact CD2-CD2 3.61Å; Y179-F202 HydrophobicContact CD2-CD2 3.61Å; Y179-F202 HydrophobicContact CD2-CE2 4.37Å; Y179-F202 HydrophobicContact CD2-CG 4.31Å; Y179-F202 HydrophobicContact CE1-CB 4.18Å; Y179-F202 HydrophobicContact CE2-CD2 4.46Å; Y179-F202 HydrophobicContact CG-CB 3.82Å; Y179-F202 AromaticContact CG-CD2 3.54Å; Y179-F202 HydrophobicContact CG-CD2 3.54Å; Y179-F202 HydrophobicContact CG-CE2 4.35Å; Y179-F202 AromaticContact CG-CG 3.86Å; Y179-F202 HydrophobicContact CG-CG 3.86Å; Y179-L205 HydrophobicContact CD2-CD2 3.84Å; Y179-L205 HydrophobicContact CE2-CD2 3.74Å |
| 180 | R | 91.8 | Very high | 89.4 | Confident | 37 Ų | 37 | 37 Ų | 37 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.7 | -70.4 | 172.3 | 172.8 | 168.3 | -4.7 | 112.3 | I176 S177 K178 G184 F202 H216 Y218 E252 | I176-R180 HydrophobicContact CG2-CG 4.44Å; I176-R180 VanDerWaalsContact CG2-CZ 3.48Å; I176-R180 VanDerWaalsContact O-CG 3.32Å; I176-R180 WeakPolarHBondContact O-CG 3.49Å; I176-R180 PolarHBondContact O-N 3.42Å; S177-R180 PolarHBondContact O-N 3.35Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 2.95Å; R180-G184 PolarHBondContact O-N 3.22Å; R180-F202 HydrophobicContact CG-CE1 4.35Å; R180-F202 HydrophobicContact CG-CZ 3.92Å; R180-H216 PolarHBondContact NH1-O 3.11Å; R180-H216 VanDerWaalsContact NH1-O 3.13Å; R180-H216 PolarHBondContact NH2-O 2.98Å; R180-Y218 HydrophobicContact CB-CD2 4.29Å; R180-Y218 HydrophobicContact CB-CE2 4.14Å; R180-Y218 HydrophobicContact CG-CD2 4.43Å; R180-E252 IonicContact CZ-OE1 3.9Å; R180-E252 IonicContact CZ-OE2 3.93Å; R180-E252 IonicContact NE-OE1 2.63Å; R180-E252 PolarHBondContact NE-OE1 3.41Å; R180-E252 IonicContact NE-OE2 3.09Å; R180-E252 IonicContact NH2-OE1 3.3Å; R180-E252 PolarHBondContact NH2-OE1 3.26Å; R180-E252 IonicContact NH2-OE2 2.67Å; R180-E252 PolarHBondContact NH2-OE2 3.12Å |
| 181 | T | 88.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -49.7 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | S177 K178 Y179 G184 Y185 | S177-T181 PolarHBondContact O-N 3.45Å; S177-T181 PolarHBondContact O-OG1 3.38Å; K178-T181 PolarHBondContact O-N 2.56Å; Y179-T181 PolarHBondContact O-N 3.21Å; T181-G184 PolarHBondContact O-N 3.05Å; T181-Y185 HydrophobicContact CG2-CE1 4.25Å |
| 182 | I | 90.6 | Very high | 89.4 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.4 | -41.1 | -175.2 | -61.1 | 162.9 | 0 | 0 | 0 | 111.3 | I159 K178 Y179 G184 Y185 L198 | I159-I182 HydrophobicContact CG2-CD1 4.13Å; I159-I182 HydrophobicContact CG2-CG2 4.18Å; K178-I182 VanDerWaalsContact O-CG1 3.27Å; K178-I182 WeakPolarHBondContact O-CG1 3.42Å; K178-I182 PolarHBondContact O-N 2.7Å; Y179-I182 PolarHBondContact O-N 2.95Å; I182-G184 PolarHBondContact O-N 3.2Å; I182-Y185 HydrophobicContact CB-CD2 4.48Å; I182-Y185 HydrophobicContact CB-CE2 4.25Å; I182-Y185 HydrophobicContact CG1-CE2 4.21Å; I182-Y185 HydrophobicContact CG2-CD2 4.28Å; I182-Y185 HydrophobicContact CG2-CE2 4.32Å; I182-Y185 VanDerWaalsContact O-CD2 3.23Å; I182-Y185 WeakPolarHBondContact O-CD2 3.45Å; I182-Y185 PolarHBondContact O-N 3.44Å; I182-L198 HydrophobicContact CB-CD1 4.28Å; I182-L198 HydrophobicContact CG2-CD1 3.39Å |
| 183 | L | 91 | Very high | 89.1 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -20 | 174.6 | -68.1 | 173.4 | 0 | 0 | 0 | 112.7 | Y179 Y185 R195 L198 S199 F202 | Y179-L183 VanDerWaalsContact O-CB 3.29Å; Y179-L183 WeakPolarHBondContact O-CB 3.47Å; Y179-L183 VanDerWaalsContact O-CG 3.31Å; Y179-L183 WeakPolarHBondContact O-CG 3.45Å; Y179-L183 PolarHBondContact O-N 3.46Å; L183-Y185 VanDerWaalsContact C-N 3.34Å; L183-R195 HydrophobicContact CD2-CG 4.12Å; L183-L198 HydrophobicContact CD2-CB 3.9Å; L183-L198 HydrophobicContact CG-CB 4.46Å; L183-S199 VanDerWaalsContact CD2-OG 3.32Å; L183-S199 WeakPolarHBondContact CD2-OG 3.44Å; L183-F202 HydrophobicContact CD1-CB 4.26Å; L183-F202 HydrophobicContact CD1-CD1 3.82Å; L183-F202 HydrophobicContact CD1-CG 4.33Å |
| 184 | G | 88.5 | Confident | 89.1 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R180 T181 I182 R238 Y239 | R180-G184 PolarHBondContact O-N 3.22Å; T181-G184 PolarHBondContact O-N 3.05Å; I182-G184 PolarHBondContact O-N 3.2Å; G184-R238 WeakPolarHBondContact O-CA 3.29Å; G184-Y239 PolarHBondContact O-N 2.78Å |
| 185 | Y | 89.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 152.5 | 174.1 | -58.9 | -42.1 | 0 | 0 | 0 | 111.6 | H128 I131 T181 I182 L183 E187 R195 P236 Y237 R238 Y239 | H128-Y185 PolarHBondContact CD2-OH 2.66Å; H128-Y185 PolarHBondContact NE2-OH 3.26Å; I131-Y185 HydrophobicContact CD1-CD2 3.73Å; I131-Y185 HydrophobicContact CD1-CE2 4.04Å; I131-Y185 HydrophobicContact CG2-CD2 4.47Å; T181-Y185 HydrophobicContact CG2-CE1 4.25Å; I182-Y185 HydrophobicContact CB-CD2 4.48Å; I182-Y185 HydrophobicContact CB-CE2 4.25Å; I182-Y185 HydrophobicContact CG1-CE2 4.21Å; I182-Y185 HydrophobicContact CG2-CD2 4.28Å; I182-Y185 HydrophobicContact CG2-CE2 4.32Å; I182-Y185 VanDerWaalsContact O-CD2 3.23Å; I182-Y185 WeakPolarHBondContact O-CD2 3.45Å; I182-Y185 PolarHBondContact O-N 3.44Å; L183-Y185 VanDerWaalsContact C-N 3.34Å; Y185-E187 PolarHBondContact O-N 2.95Å; Y185-R195 PolarHBondContact O-NH2 3Å; Y185-P236 HydrophobicContact CD1-CB 3.67Å; Y185-P236 HydrophobicContact CD1-CG 4.21Å; Y185-P236 HydrophobicContact CD2-CB 4.32Å; Y185-P236 HydrophobicContact CD2-CG 4.37Å; Y185-P236 HydrophobicContact CE1-CB 3.94Å; Y185-P236 HydrophobicContact CE1-CG 4.02Å; Y185-P236 HydrophobicContact CE2-CG 4.17Å; Y185-P236 HydrophobicContact CG-CB 3.91Å; Y185-P236 HydrophobicContact CG-CG 4.4Å; Y185-Y237 CarbonylContact C-O 3.3Å; Y185-Y237 WeakPolarHBondContact CA-O 3.5Å; Y185-R238 HydrophobicContact CD1-CG 3.78Å; Y185-R238 HydrophobicContact CE1-CG 4.22Å; Y185-Y239 WeakPolarHBondContact O-CE2 3.44Å |
| 186 | C | 86.5 | Confident | 89.2 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 22% | 0.216 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 136 | 175.6 | -68.3 | 0 | 0 | 0 | 0 | 111 | Y237 Y239 | C186-Y237 PolarHBondContact N-O 2.93Å; C186-Y239 HydrophobicContact CB-CE1 4.26Å |
| 187 | E | 84.5 | Confident | 89.1 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -67 | 144.2 | 175.7 | -152.4 | 163.7 | 137 | 0 | 0 | 111.9 | Y185 R192 R195 Y239 | Y185-E187 PolarHBondContact O-N 2.95Å; E187-R192 IonicContact OE1-NE 2.7Å; E187-R195 VanDerWaalsContact CG-NH1 3.31Å; E187-R195 IonicContact OE2-CZ 3.56Å; E187-R195 IonicContact OE2-NE 2.66Å; E187-R195 IonicContact OE2-NH1 3.95Å; E187-R195 PolarHBondContact OE2-NH1 2.74Å; E187-Y239 WeakPolarHBondContact CB-OH 3.39Å; E187-Y239 PolarHBondContact N-OH 3.47Å |
| 188 | L | 86.4 | Confident | 89.3 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | trans | -132.7 | 150.4 | 168.6 | -66.7 | 155.4 | 0 | 0 | 0 | 108.6 | L134 Q135 D138 A190 T191 | L134-L188 HydrophobicContact CB-CD1 3.8Å; Q135-L188 HydrophobicContact CB-CD1 4.27Å; Q135-L188 HydrophobicContact CG-CD1 3.45Å; Q135-L188 VanDerWaalsContact CG-CD1 3.45Å; Q135-L188 HydrophobicContact CG-CD2 4.37Å; Q135-L188 HydrophobicContact CG-CG 4.15Å; D138-L188 HydrophobicContact CB-CD2 3.46Å; D138-L188 VanDerWaalsContact CB-CD2 3.46Å; D138-L188 VanDerWaalsContact CG-CD2 3.49Å; D138-L188 WeakPolarHBondContact OD2-CD2 3.45Å; L188-A190 HydrophobicContact CB-CB 4.48Å; L188-A190 PolarHBondContact O-N 2.97Å; L188-A190 VanDerWaalsContact O-N 3.17Å; L188-T191 HydrophobicContact CB-CG2 4.15Å; L188-T191 HydrophobicContact CD1-CG2 4.06Å; L188-T191 PolarHBondContact N-OG1 3.17Å; L188-T191 VanDerWaalsContact N-OG1 3.08Å; L188-T191 PolarHBondContact O-N 3.34Å; L188-T191 PolarHBondContact O-OG1 3.28Å | ||
| 189 | P | 83.5 | Confident | 89.4 | Confident | 86 Ų | 86 | 28.1 Ų | 28.1 | 56% | 0.558 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -48.9 | -42.5 | 171.5 | -26.6 | 34.7 | 0 | 0 | 0 | 112.5 | T191 R192 | P189-T191 PolarHBondContact O-N 3.22Å; P189-T191 VanDerWaalsContact O-N 3.15Å; P189-R192 PolarHBondContact O-N 3.19Å |
| 190 | A | 84.9 | Confident | 89.4 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 20% | 0.198 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L134 V149 V151 L188 | L134-A190 HydrophobicContact CD1-CB 4.14Å; L134-A190 HydrophobicContact CD2-CB 4.23Å; V149-A190 WeakPolarHBondContact O-CA 3.34Å; V149-A190 WeakPolarHBondContact O-CB 3.25Å; V151-A190 PolarHBondContact N-O 3.49Å; L188-A190 HydrophobicContact CB-CB 4.48Å; L188-A190 PolarHBondContact O-N 2.97Å; L188-A190 VanDerWaalsContact O-N 3.17Å |
| 191 | T | 88.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -103.4 | 1 | -171.4 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | L134 V151 L188 P189 S193 L194 R195 | L134-T191 HydrophobicContact CD1-CG2 4.29Å; V151-T191 HydrophobicContact CG2-CG2 4.02Å; L188-T191 HydrophobicContact CB-CG2 4.15Å; L188-T191 HydrophobicContact CD1-CG2 4.06Å; L188-T191 PolarHBondContact N-OG1 3.17Å; L188-T191 VanDerWaalsContact N-OG1 3.08Å; L188-T191 PolarHBondContact O-N 3.34Å; L188-T191 PolarHBondContact O-OG1 3.28Å; P189-T191 PolarHBondContact O-N 3.22Å; P189-T191 VanDerWaalsContact O-N 3.15Å; T191-S193 PolarHBondContact O-N 3.25Å; T191-L194 PolarHBondContact O-N 3.4Å; T191-R195 WeakPolarHBondContact O-CB 3.42Å; T191-R195 PolarHBondContact O-N 3.09Å |
| 192 | R | 88.4 | Confident | 89.8 | Confident | 92 Ų | 92 | 32 Ų | 32 | 35% | 0.347 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.7 | -47.5 | -175.9 | -75.6 | -177.4 | 177.3 | 171.5 | 3.9 | 113.3 | E187 P189 L194 R195 R196 I263 | E187-R192 IonicContact OE1-NE 2.7Å; P189-R192 PolarHBondContact O-N 3.19Å; R192-L194 PolarHBondContact O-N 2.87Å; R192-R195 PolarHBondContact O-N 3.48Å; R192-R196 PolarHBondContact O-N 3.2Å; R192-I263 HydrophobicContact CB-CG2 3.98Å |
| 193 | S | 85.8 | Confident | 90 | Very high | 47 Ų | 47 | 31.5 Ų | 31.5 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.5 | -49.5 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | E156 T191 R195 R196 A197 | E156-S193 PolarHBondContact OE1-OG 3.46Å; T191-S193 PolarHBondContact O-N 3.25Å; S193-R195 PolarHBondContact O-N 2.99Å; S193-R196 PolarHBondContact O-N 3.03Å; S193-A197 PolarHBondContact O-N 3.08Å |
| 194 | L | 90.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 177.6 | 174.6 | 65.8 | 0 | 0 | 0 | 111.1 | E156 I159 Q160 T191 R192 R196 A197 L198 | E156-L194 HydrophobicContact CG-CB 4.22Å; E156-L194 HydrophobicContact CG-CD1 3.88Å; I159-L194 HydrophobicContact CB-CD1 4.03Å; I159-L194 HydrophobicContact CD1-CD2 3.63Å; I159-L194 HydrophobicContact CG2-CD1 3.83Å; I159-L194 HydrophobicContact CG2-CD2 4.14Å; Q160-L194 HydrophobicContact CG-CD1 4.17Å; T191-L194 PolarHBondContact O-N 3.4Å; R192-L194 PolarHBondContact O-N 2.87Å; L194-R196 PolarHBondContact O-N 3.47Å; L194-A197 PolarHBondContact O-N 3.11Å; L194-L198 HydrophobicContact CD1-CD1 3.79Å; L194-L198 HydrophobicContact CD1-CG 3.92Å; L194-L198 HydrophobicContact CD2-CD1 4.48Å; L194-L198 HydrophobicContact CG-CD1 3.85Å; L194-L198 HydrophobicContact CG-CG 4.32Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.39Å |
| 195 | R | 92.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 31.3 Ų | 31.3 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | -179.8 | -179.1 | 168.1 | -67 | -158 | -6.3 | 112.3 | L183 Y185 E187 T191 R192 S193 S199 I259 I263 | L183-R195 HydrophobicContact CD2-CG 4.12Å; Y185-R195 PolarHBondContact O-NH2 3Å; E187-R195 VanDerWaalsContact CG-NH1 3.31Å; E187-R195 IonicContact OE2-CZ 3.56Å; E187-R195 IonicContact OE2-NE 2.66Å; E187-R195 IonicContact OE2-NH1 3.95Å; E187-R195 PolarHBondContact OE2-NH1 2.74Å; T191-R195 WeakPolarHBondContact O-CB 3.42Å; T191-R195 PolarHBondContact O-N 3.09Å; R192-R195 PolarHBondContact O-N 3.48Å; S193-R195 PolarHBondContact O-N 2.99Å; R195-S199 VanDerWaalsContact O-CB 3.28Å; R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.21Å; R195-S199 PolarHBondContact O-OG 3.25Å; R195-I259 HydrophobicContact CG-CG2 4.12Å; R195-I263 HydrophobicContact CB-CD1 3.92Å; R195-I263 HydrophobicContact CG-CD1 3.62Å |
| 196 | R | 91.6 | Very high | 90.6 | Very high | 36 Ų | 36 | 31.2 Ų | 31.2 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -52.6 | 174.1 | -178.4 | -167.3 | 66.4 | -162 | -5.7 | 110.6 | R192 S193 L194 L198 S199 L200 S260 I263 A264 D267 N287 | R192-R196 PolarHBondContact O-N 3.2Å; S193-R196 PolarHBondContact O-N 3.03Å; L194-R196 PolarHBondContact O-N 3.47Å; R196-L198 PolarHBondContact O-N 3.29Å; R196-S199 PolarHBondContact O-N 2.96Å; R196-L200 PolarHBondContact O-N 3.4Å; R196-L200 VanDerWaalsContact O-N 3.08Å; R196-S260 WeakPolarHBondContact CG-OG 3.12Å; R196-S260 PolarHBondContact O-OG 3Å; R196-I263 HydrophobicContact CB-CB 4.22Å; R196-I263 HydrophobicContact CB-CG2 3.91Å; R196-A264 HydrophobicContact CG-CB 4.45Å; R196-D267 IonicContact NH1-OD2 3.67Å; R196-D267 PolarHBondContact NH1-OD2 3.41Å; R196-N287 PolarHBondContact NH2-ND2 3.02Å |
| 197 | A | 90.7 | Very high | 90.8 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S193 L194 L200 R201 | S193-A197 PolarHBondContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 3.11Å; A197-L200 PolarHBondContact O-N 3.37Å; A197-R201 WeakPolarHBondContact O-CB 3.44Å; A197-R201 VanDerWaalsContact O-CG 3.3Å; A197-R201 WeakPolarHBondContact O-CG 3.49Å; A197-R201 PolarHBondContact O-N 3.45Å |
| 198 | L | 94.7 | Very high | 91 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 179 | -70.1 | 177.3 | 0 | 0 | 0 | 112.5 | I159 Q160 Y179 I182 L183 L194 R196 R201 F202 | I159-L198 HydrophobicContact CG2-CD1 4.14Å; Q160-L198 HydrophobicContact CG-CD2 4.25Å; Y179-L198 HydrophobicContact CD1-CB 4.47Å; Y179-L198 HydrophobicContact CD1-CD2 4.25Å; Y179-L198 HydrophobicContact CE1-CB 4.45Å; Y179-L198 HydrophobicContact CE1-CD2 3.8Å; I182-L198 HydrophobicContact CB-CD1 4.28Å; I182-L198 HydrophobicContact CG2-CD1 3.39Å; L183-L198 HydrophobicContact CD2-CB 3.9Å; L183-L198 HydrophobicContact CG-CB 4.46Å; L194-L198 HydrophobicContact CD1-CD1 3.79Å; L194-L198 HydrophobicContact CD1-CG 3.92Å; L194-L198 HydrophobicContact CD2-CD1 4.48Å; L194-L198 HydrophobicContact CG-CD1 3.85Å; L194-L198 HydrophobicContact CG-CG 4.32Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.39Å; R196-L198 PolarHBondContact O-N 3.29Å; L198-R201 PolarHBondContact O-N 3.26Å; L198-F202 WeakPolarHBondContact O-CB 3.36Å; L198-F202 PolarHBondContact O-N 3.45Å |
| 199 | S | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | -179.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | L183 R195 R196 S203 S256 | L183-S199 VanDerWaalsContact CD2-OG 3.32Å; L183-S199 WeakPolarHBondContact CD2-OG 3.44Å; R195-S199 VanDerWaalsContact O-CB 3.28Å; R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.21Å; R195-S199 PolarHBondContact O-OG 3.25Å; R196-S199 PolarHBondContact O-N 2.96Å; S199-S203 PolarHBondContact O-N 2.94Å; S199-S203 VanDerWaalsContact O-N 3.1Å; S199-S256 VanDerWaalsContact CB-O 3.3Å; S199-S256 WeakPolarHBondContact CB-O 3.45Å |
| 200 | L | 94.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -53.2 | 173.5 | 177.5 | 59.9 | 0 | 0 | 0 | 111.2 | R196 A197 F202 S203 E204 L257 V291 L294 | R196-L200 PolarHBondContact O-N 3.4Å; R196-L200 VanDerWaalsContact O-N 3.08Å; A197-L200 PolarHBondContact O-N 3.37Å; L200-F202 VanDerWaalsContact C-N 3.28Å; L200-F202 PolarHBondContact O-N 3.34Å; L200-S203 WeakPolarHBondContact O-CB 3.21Å; L200-S203 PolarHBondContact O-N 3.42Å; L200-S203 VanDerWaalsContact O-N 3.13Å; L200-E204 PolarHBondContact O-N 3.5Å; L200-L257 HydrophobicContact CD1-CD2 3.6Å; L200-V291 HydrophobicContact CD1-CG2 4.24Å; L200-V291 HydrophobicContact CD2-CG2 4.4Å; L200-L294 HydrophobicContact CD1-CD2 4.16Å |
| 201 | R | 93.6 | Very high | 91.5 | Very high | 126 Ų | 126 | 38 Ų | 38 | 48% | 0.475 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 179.5 | -69.1 | -57.4 | -169.8 | -168.9 | -0.7 | 112.7 | Y179 A197 L198 E204 L205 | Y179-R201 HydrophobicContact CE1-CB 4.24Å; A197-R201 WeakPolarHBondContact O-CB 3.44Å; A197-R201 VanDerWaalsContact O-CG 3.3Å; A197-R201 WeakPolarHBondContact O-CG 3.49Å; A197-R201 PolarHBondContact O-N 3.45Å; L198-R201 PolarHBondContact O-N 3.26Å; R201-E204 WeakPolarHBondContact CD-OE2 3.4Å; R201-E204 IonicContact CZ-OE2 3.81Å; R201-E204 IonicContact NE-OE2 2.89Å; R201-E204 IonicContact NH1-OE1 3.83Å; R201-E204 IonicContact NH1-OE2 3.92Å; R201-E204 PolarHBondContact NH1-OE2 2.88Å; R201-E204 PolarHBondContact O-N 3.19Å; R201-L205 PolarHBondContact O-N 3.32Å |
| 202 | F | 95.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.9 | -177.9 | -138.2 | 0 | 0 | 0 | 111.4 | I176 Y179 R180 L183 L198 L200 E204 L205 L206 E252 S256 | I176-F202 HydrophobicContact CB-CE2 4.39Å; I176-F202 HydrophobicContact CG1-CE2 4.34Å; I176-F202 HydrophobicContact CG2-CE2 4.03Å; I176-F202 HydrophobicContact CG2-CZ 4.26Å; Y179-F202 HydrophobicContact CD1-CB 3.74Å; Y179-F202 HydrophobicContact CD1-CD2 4.35Å; Y179-F202 HydrophobicContact CD1-CG 4.26Å; Y179-F202 HydrophobicContact CD2-CB 4.31Å; Y179-F202 AromaticContact CD2-CD2 3.61Å; Y179-F202 HydrophobicContact CD2-CD2 3.61Å; Y179-F202 HydrophobicContact CD2-CE2 4.37Å; Y179-F202 HydrophobicContact CD2-CG 4.31Å; Y179-F202 HydrophobicContact CE1-CB 4.18Å; Y179-F202 HydrophobicContact CE2-CD2 4.46Å; Y179-F202 HydrophobicContact CG-CB 3.82Å; Y179-F202 AromaticContact CG-CD2 3.54Å; Y179-F202 HydrophobicContact CG-CD2 3.54Å; Y179-F202 HydrophobicContact CG-CE2 4.35Å; Y179-F202 AromaticContact CG-CG 3.86Å; Y179-F202 HydrophobicContact CG-CG 3.86Å; R180-F202 HydrophobicContact CG-CE1 4.35Å; R180-F202 HydrophobicContact CG-CZ 3.92Å; L183-F202 HydrophobicContact CD1-CB 4.26Å; L183-F202 HydrophobicContact CD1-CD1 3.82Å; L183-F202 HydrophobicContact CD1-CG 4.33Å; L198-F202 WeakPolarHBondContact O-CB 3.36Å; L198-F202 PolarHBondContact O-N 3.45Å; L200-F202 VanDerWaalsContact C-N 3.28Å; L200-F202 PolarHBondContact O-N 3.34Å; F202-E204 PolarHBondContact O-N 2.91Å; F202-L205 WeakPolarHBondContact O-CB 3.46Å; F202-L205 PolarHBondContact O-N 3.43Å; F202-L206 HydrophobicContact CD1-CD1 4.32Å; F202-L206 HydrophobicContact CD2-CD1 4.4Å; F202-L206 HydrophobicContact CD2-CG 4.17Å; F202-L206 HydrophobicContact CE1-CD1 3.93Å; F202-L206 HydrophobicContact CE2-CD1 4.02Å; F202-L206 HydrophobicContact CE2-CD2 3.9Å; F202-L206 HydrophobicContact CE2-CG 3.83Å; F202-L206 HydrophobicContact CZ-CD1 3.78Å; F202-L206 HydrophobicContact CZ-CD2 4.11Å; F202-L206 HydrophobicContact CZ-CG 4.08Å; F202-L206 WeakPolarHBondContact O-CG 3.3Å; F202-L206 PolarHBondContact O-N 3.14Å; F202-E252 HydrophobicContact CE1-CG 4.03Å; F202-E252 WeakPolarHBondContact CE1-OE1 3.27Å; F202-E252 HydrophobicContact CZ-CG 4.34Å; F202-E252 VanDerWaalsContact CZ-OE1 3.28Å; F202-E252 WeakPolarHBondContact CZ-OE1 3.46Å; F202-S256 WeakPolarHBondContact CD1-OG 3.19Å |
| 203 | S | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 173.9 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | S199 L200 L205 L206 L207 A253 L257 | S199-S203 PolarHBondContact O-N 2.94Å; S199-S203 VanDerWaalsContact O-N 3.1Å; L200-S203 WeakPolarHBondContact O-CB 3.21Å; L200-S203 PolarHBondContact O-N 3.42Å; L200-S203 VanDerWaalsContact O-N 3.13Å; S203-L205 VanDerWaalsContact C-N 3.32Å; S203-L205 PolarHBondContact O-N 3.02Å; S203-L206 PolarHBondContact O-N 2.92Å; S203-L207 VanDerWaalsContact O-CG 3.3Å; S203-L207 WeakPolarHBondContact O-CG 3.5Å; S203-L207 PolarHBondContact O-N 3.42Å; S203-A253 WeakPolarHBondContact OG-CB 3.38Å; S203-A253 PolarHBondContact OG-O 3.41Å; S203-L257 VanDerWaalsContact OG-CD1 3.3Å; S203-L257 WeakPolarHBondContact OG-CD1 3.12Å; S203-L257 VanDerWaalsContact OG-CG 3.29Å; S203-L257 WeakPolarHBondContact OG-CG 3.4Å |
| 204 | E | 94 | Very high | 91 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.6 | -44.3 | 175 | -68.7 | 179.6 | 160.5 | 0 | 0 | 112.5 | L200 R201 F202 L207 R208 L294 | L200-E204 PolarHBondContact O-N 3.5Å; R201-E204 WeakPolarHBondContact CD-OE2 3.4Å; R201-E204 IonicContact CZ-OE2 3.81Å; R201-E204 IonicContact NE-OE2 2.89Å; R201-E204 IonicContact NH1-OE1 3.83Å; R201-E204 IonicContact NH1-OE2 3.92Å; R201-E204 PolarHBondContact NH1-OE2 2.88Å; R201-E204 PolarHBondContact O-N 3.19Å; F202-E204 PolarHBondContact O-N 2.91Å; E204-L207 PolarHBondContact O-N 2.89Å; E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.87Å; E204-L294 HydrophobicContact CG-CD2 3.9Å |
| 205 | L | 93.6 | Very high | 91 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 177.3 | -180 | 69.7 | 0 | 0 | 0 | 111.1 | I167 A175 I176 Y179 R201 F202 S203 L207 R208 S209 | I167-L205 HydrophobicContact CD1-CD1 3.61Å; I167-L205 HydrophobicContact CD1-CD2 4.26Å; I167-L205 HydrophobicContact CD1-CG 4.48Å; I167-L205 HydrophobicContact CG1-CD1 3.78Å; A175-L205 HydrophobicContact CB-CD2 4.12Å; I176-L205 HydrophobicContact CG1-CD2 3.93Å; Y179-L205 HydrophobicContact CD2-CD2 3.84Å; Y179-L205 HydrophobicContact CE2-CD2 3.74Å; R201-L205 PolarHBondContact O-N 3.32Å; F202-L205 WeakPolarHBondContact O-CB 3.46Å; F202-L205 PolarHBondContact O-N 3.43Å; S203-L205 VanDerWaalsContact C-N 3.32Å; S203-L205 PolarHBondContact O-N 3.02Å; L205-L207 PolarHBondContact O-N 2.92Å; L205-R208 PolarHBondContact O-N 3.43Å; L205-S209 WeakPolarHBondContact CD1-OG 3.39Å; L205-S209 WeakPolarHBondContact O-CB 3.33Å; L205-S209 PolarHBondContact O-N 3.11Å; L205-S209 PolarHBondContact O-OG 3.22Å |
| 206 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 179.6 | -71.5 | 175.9 | 0 | 0 | 0 | 111.4 | F202 S203 V210 R249 E252 A253 | F202-L206 HydrophobicContact CD1-CD1 4.32Å; F202-L206 HydrophobicContact CD2-CD1 4.4Å; F202-L206 HydrophobicContact CD2-CG 4.17Å; F202-L206 HydrophobicContact CE1-CD1 3.93Å; F202-L206 HydrophobicContact CE2-CD1 4.02Å; F202-L206 HydrophobicContact CE2-CD2 3.9Å; F202-L206 HydrophobicContact CE2-CG 3.83Å; F202-L206 HydrophobicContact CZ-CD1 3.78Å; F202-L206 HydrophobicContact CZ-CD2 4.11Å; F202-L206 HydrophobicContact CZ-CG 4.08Å; F202-L206 WeakPolarHBondContact O-CG 3.3Å; F202-L206 PolarHBondContact O-N 3.14Å; S203-L206 PolarHBondContact O-N 2.92Å; L206-V210 HydrophobicContact CD2-CG2 4.22Å; L206-R249 HydrophobicContact CB-CG 4.42Å; L206-R249 WeakPolarHBondContact O-CD 3.38Å; L206-E252 HydrophobicContact CD1-CB 3.98Å; L206-E252 HydrophobicContact CD1-CG 3.81Å; L206-A253 HydrophobicContact CB-CB 4.29Å; L206-A253 HydrophobicContact CD1-CB 4.22Å |
| 207 | L | 90.2 | Very high | 90.3 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.6 | -38.5 | -178.3 | -63.8 | -179.9 | 0 | 0 | 0 | 113.8 | S203 E204 L205 A253 L294 L298 | S203-L207 VanDerWaalsContact O-CG 3.3Å; S203-L207 WeakPolarHBondContact O-CG 3.5Å; S203-L207 PolarHBondContact O-N 3.42Å; E204-L207 PolarHBondContact O-N 2.89Å; L205-L207 PolarHBondContact O-N 2.92Å; L207-A253 HydrophobicContact CD2-CB 3.91Å; L207-A253 HydrophobicContact CG-CB 4.23Å; L207-L294 HydrophobicContact CD1-CD1 3.69Å; L207-L294 HydrophobicContact CD1-CD2 4.13Å; L207-L294 HydrophobicContact CD1-CG 3.94Å; L207-L298 HydrophobicContact CD1-CD1 3.76Å; L207-L298 HydrophobicContact CD1-CD2 4.08Å; L207-L298 HydrophobicContact CD1-CG 3.83Å; L207-L298 HydrophobicContact CD2-CD1 4.19Å; L207-L298 HydrophobicContact CD2-CD2 3.35Å; L207-L298 HydrophobicContact CD2-CG 4.07Å; L207-L298 HydrophobicContact CG-CD1 4.41Å; L207-L298 HydrophobicContact CG-CD2 4.32Å |
| 208 | R | 90.2 | Very high | 89.9 | Confident | 206 Ų | 206 | 60.8 Ų | 60.8 | 78% | 0.777 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -83.6 | -42.4 | -175.2 | -70.5 | -179.7 | 175.8 | 168.6 | 1.7 | 113.2 | E204 L205 | E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.87Å; L205-R208 PolarHBondContact O-N 3.43Å |
| 209 | S | 88 | Confident | 89 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -109.5 | -18.6 | -163.6 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | L205 | L205-S209 WeakPolarHBondContact CD1-OG 3.39Å; L205-S209 WeakPolarHBondContact O-CB 3.33Å; L205-S209 PolarHBondContact O-N 3.11Å; L205-S209 PolarHBondContact O-OG 3.22Å |
| 210 | V | 88.3 | Confident | 87.8 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | trans | -108.6 | 129.7 | -174.6 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | I172 I176 L206 Y215 R249 | I172-V210 HydrophobicContact CG2-CG2 4.06Å; I176-V210 HydrophobicContact CD1-CG2 3.57Å; L206-V210 HydrophobicContact CD2-CG2 4.22Å; V210-Y215 HydrophobicContact CG1-CD2 4.32Å; V210-R249 WeakPolarHBondContact O-CD 3.28Å; V210-R249 PolarHBondContact O-NH1 3.08Å | ||
| 211 | C | 88.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | trans | -99.5 | 169.7 | 170.3 | 76.9 | 0 | 0 | 0 | 0 | 111.5 | K213 T214 Y215 | C211-K213 PolarHBondContact O-N 3.39Å; C211-K213 VanDerWaalsContact O-N 3.13Å; C211-T214 PolarHBondContact N-OG1 2.89Å; C211-T214 PolarHBondContact O-N 3.21Å; C211-T214 VanDerWaalsContact O-N 3.13Å; C211-T214 PolarHBondContact O-OG1 3.19Å; C211-T214 PolarHBondContact SG-OG1 2.92Å; C211-T214 VanDerWaalsContact SG-OG1 3.37Å; C211-Y215 PolarHBondContact O-N 2.93Å | ||
| 212 | T | 83.9 | Confident | 84.6 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.9 | -177.9 | -43.5 | 0 | 0 | 0 | 0 | 113 | ||
| 213 | K | 83.6 | Confident | 82.8 | Confident | 199 Ų | 199 | 70.4 Ų | 70.4 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -28.8 | 179.7 | -63.1 | -176.7 | 179.5 | -179.4 | 0 | 113.4 | C211 | C211-K213 PolarHBondContact O-N 3.39Å; C211-K213 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 85 | Confident | 80.6 | Confident | 74 Ų | 74 | 78.3 Ų | 78.3 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.4 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | C211 H216 | C211-T214 PolarHBondContact N-OG1 2.89Å; C211-T214 PolarHBondContact O-N 3.21Å; C211-T214 VanDerWaalsContact O-N 3.13Å; C211-T214 PolarHBondContact O-OG1 3.19Å; C211-T214 PolarHBondContact SG-OG1 2.92Å; C211-T214 VanDerWaalsContact SG-OG1 3.37Å; T214-H216 PolarHBondContact O-CE1 3.42Å; T214-H216 VanDerWaalsContact O-CE1 3.27Å; T214-H216 PolarHBondContact O-ND1 3.24Å |
| 215 | Y | 88.8 | Confident | 78 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | trans | -72.9 | 127.6 | 175.8 | 178.3 | -99.2 | 0 | 0 | 0 | 110.7 | V210 C211 N248 R249 E252 | V210-Y215 HydrophobicContact CG1-CD2 4.32Å; C211-Y215 PolarHBondContact O-N 2.93Å; Y215-N248 VanDerWaalsContact CZ-C 3.48Å; Y215-R249 HydrophobicContact CD1-CB 4.47Å; Y215-R249 HydrophobicContact CD2-CB 3.59Å; Y215-R249 HydrophobicContact CD2-CG 4.17Å; Y215-R249 HydrophobicContact CE2-CB 4.08Å; Y215-R249 HydrophobicContact CG-CB 3.8Å; Y215-E252 HydrophobicContact CE2-CB 4.48Å; Y215-E252 WeakPolarHBondContact CE2-OE2 3.42Å; Y215-E252 PolarHBondContact OH-OE2 2.88Å | ||
| 216 | H | 86 | Confident | 75.4 | Confident | 133 Ų | 133 | 86 Ų | 86 | 62% | 0.616 | 44% | 0.441 | S | S | * | . | trans | -118 | 123.6 | 176 | -61.6 | 80.5 | 0 | 0 | 0 | 109 | R180 T214 | R180-H216 PolarHBondContact NH1-O 3.11Å; R180-H216 VanDerWaalsContact NH1-O 3.13Å; R180-H216 PolarHBondContact NH2-O 2.98Å; T214-H216 PolarHBondContact O-CE1 3.42Å; T214-H216 VanDerWaalsContact O-CE1 3.27Å; T214-H216 PolarHBondContact O-ND1 3.24Å | ||
| 217 | K | 85.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 90.8 Ų | 90.8 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | trans | -58.9 | 141.4 | 174.6 | -174.9 | 170.1 | -176.9 | 173.9 | 0 | 109.6 | N219 I245 D247 | K217-N219 PolarHBondContact O-N 3.39Å; K217-I245 HydrophobicContact CD-CG2 4.39Å; K217-I245 VanDerWaalsContact CE-CG2 3.46Å; K217-I245 HydrophobicContact CG-CG2 3.96Å; K217-D247 IonicContact NZ-OD1 3.28Å; K217-D247 PolarHBondContact NZ-OD1 2.9Å | ||
| 218 | Y | 81.8 | Confident | 70.7 | Confident | 60 Ų | 60 | 92.6 Ų | 92.6 | 24% | 0.235 | 48% | 0.479 | C | S | . | . | trans | -63.2 | 130.1 | 177.1 | -175.1 | -114.4 | 0 | 0 | 0 | 110.5 | R180 T220 D223 | R180-Y218 HydrophobicContact CB-CD2 4.29Å; R180-Y218 HydrophobicContact CB-CE2 4.14Å; R180-Y218 HydrophobicContact CG-CD2 4.43Å; Y218-T220 HydrophobicContact CD1-CG2 4.36Å; Y218-T220 HydrophobicContact CE1-CG2 4.19Å; Y218-D223 PolarHBondContact OH-OD1 2.85Å; Y218-D223 PolarHBondContact OH-OD2 3.04Å | ||
| 219 | N | 76.1 | Confident | 68.6 | Low | 85 Ų | 85 | 89.6 Ų | 89.6 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -108.8 | 114.3 | 178.1 | -175.5 | 3.8 | 0 | 0 | 0 | 109.5 | K217 S221 M222 | K217-N219 PolarHBondContact O-N 3.39Å; N219-S221 VanDerWaalsContact CG-OG 3.23Å; N219-S221 PolarHBondContact ND2-OG 3.35Å; N219-S221 PolarHBondContact O-N 2.93Å; N219-S221 PolarHBondContact OD1-N 3.2Å; N219-S221 PolarHBondContact OD1-OG 3.45Å; N219-M222 HydrophobicContact CB-CG 4.45Å; N219-M222 PolarHBondContact O-N 2.98Å | ||
| 220 | T | 69.3 | Low | 66.7 | Low | 47 Ų | 47 | 95.7 Ų | 95.7 | 29% | 0.288 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -65.9 | -16.5 | 178.9 | 47.4 | 0 | 0 | 0 | 0 | 113.4 | Y218 M222 D223 T241 I245 | Y218-T220 HydrophobicContact CD1-CG2 4.36Å; Y218-T220 HydrophobicContact CE1-CG2 4.19Å; T220-M222 PolarHBondContact O-N 3.01Å; T220-D223 PolarHBondContact O-N 3.01Å; T220-D223 VanDerWaalsContact O-N 3.17Å; T220-T241 HydrophobicContact CG2-CG2 4.37Å; T220-I245 HydrophobicContact CG2-CD1 3.75Å |
| 221 | S | 64.2 | Low | 65 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -63.6 | -28.1 | 176.8 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | N219 D223 Q224 | N219-S221 VanDerWaalsContact CG-OG 3.23Å; N219-S221 PolarHBondContact ND2-OG 3.35Å; N219-S221 PolarHBondContact O-N 2.93Å; N219-S221 PolarHBondContact OD1-N 3.2Å; N219-S221 PolarHBondContact OD1-OG 3.45Å; S221-D223 PolarHBondContact O-N 3.35Å; S221-Q224 PolarHBondContact O-N 3.24Å; S221-Q224 VanDerWaalsContact O-N 3.09Å |
| 222 | M | 56.3 | Low | 63.6 | Low | 120 Ų | 120 | 99 Ų | 99 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -67.3 | -15.7 | 178.1 | -59.6 | -62.9 | -59 | 0 | 0 | 113 | N219 T220 | N219-M222 HydrophobicContact CB-CG 4.45Å; N219-M222 PolarHBondContact O-N 2.98Å; T220-M222 PolarHBondContact O-N 3.01Å |
| 223 | D | 57 | Low | 62.7 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 28% | 0.283 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -83 | -14.3 | 174.9 | -70.2 | -42.2 | 0 | 0 | 0 | 112.5 | Y218 T220 S221 R238 | Y218-D223 PolarHBondContact OH-OD1 2.85Å; Y218-D223 PolarHBondContact OH-OD2 3.04Å; T220-D223 PolarHBondContact O-N 3.01Å; T220-D223 VanDerWaalsContact O-N 3.17Å; S221-D223 PolarHBondContact O-N 3.35Å; D223-R238 IonicContact OD1-CZ 2.7Å; D223-R238 IonicContact OD1-NH1 2.7Å; D223-R238 PolarHBondContact OD1-NH1 3.08Å |
| 224 | Q | 49.8 | Very low | 62.2 | Low | 166 Ų | 166 | 92.3 Ų | 92.3 | 78% | 0.776 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -88.1 | -3.4 | -179.6 | -66.6 | -165.3 | -11.3 | 0 | 0 | 113.9 | S221 S226 | S221-Q224 PolarHBondContact O-N 3.24Å; S221-Q224 VanDerWaalsContact O-N 3.09Å; Q224-S226 PolarHBondContact O-N 2.89Å |
| 225 | D | 39.7 | Very low | 61.9 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -63.3 | 110.7 | -175.3 | -76.7 | -21.5 | 0 | 0 | 0 | 111.2 | L227 | D225-L227 PolarHBondContact O-N 3.43Š|
| 226 | S | 38.8 | Very low | 61.8 | Low | 112 Ų | 112 | 88.9 Ų | 88.9 | 78% | 0.783 | 46% | 0.464 | S | S | * | . | trans | -3.7 | 74 | 163.6 | 61 | 0 | 0 | 0 | 0 | 116 | Q224 T228 | Q224-S226 PolarHBondContact O-N 2.89Å; S226-T228 PolarHBondContact O-N 3.32Å | ||
| 227 | L | 39.7 | Very low | 61.9 | Low | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | trans | -69 | 121.5 | 168 | -71.6 | 166.7 | 0 | 0 | 0 | 107.7 | D225 A232 I235 | D225-L227 PolarHBondContact O-N 3.43Å; L227-A232 HydrophobicContact CB-CB 4.25Å; L227-I235 HydrophobicContact CD1-CD1 3.73Å; L227-I235 HydrophobicContact CD2-CD1 3.26Å; L227-I235 HydrophobicContact CG-CD1 4.13Å | ||
| 228 | T | 44.8 | Very low | 61.9 | Low | 84 Ų | 84 | 86.7 Ų | 86.7 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | trans | -60.8 | 141.2 | 165.8 | 68.4 | 0 | 0 | 0 | 0 | 108.2 | S226 K230 D231 A232 | S226-T228 PolarHBondContact O-N 3.32Å; T228-K230 PolarHBondContact O-N 3.04Å; T228-D231 PolarHBondContact O-N 2.98Å; T228-D231 PolarHBondContact OG1-OD2 3.43Å; T228-A232 PolarHBondContact O-N 3.22Å | ||
| 229 | D | 46.7 | Very low | 61.8 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 77% | 0.765 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -48.6 | -26.1 | -178.8 | -99.4 | -20.9 | 0 | 0 | 0 | 113.5 | ||
| 230 | K | 47.2 | Very low | 61.8 | Low | 172 Ų | 172 | 87.7 Ų | 87.7 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74 | -42.6 | -179.9 | -66.6 | -174.6 | 178.5 | 177.5 | 0 | 113.4 | T228 | T228-K230 PolarHBondContact O-N 3.04Å |
| 231 | D | 52.1 | Low | 61.8 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.8 | -28.3 | 179.6 | -64.5 | -37.7 | 0 | 0 | 0 | 111.6 | T228 Q233 L234 I235 | T228-D231 PolarHBondContact O-N 2.98Å; T228-D231 PolarHBondContact OG1-OD2 3.43Å; D231-Q233 PolarHBondContact O-N 3.37Å; D231-L234 PolarHBondContact O-N 2.92Å; D231-I235 WeakPolarHBondContact O-CG1 2.9Å |
| 232 | A | 58.6 | Low | 62.2 | Low | 41 Ų | 41 | 94 Ų | 94 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -30.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L227 T228 L234 | L227-A232 HydrophobicContact CB-CB 4.25Å; T228-A232 PolarHBondContact O-N 3.22Å; A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 2.95Å |
| 233 | Q | 66.6 | Low | 63.1 | Low | 134 Ų | 134 | 94.9 Ų | 94.9 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29 | -179.7 | -69.6 | -176.6 | -3.6 | 0 | 0 | 113.5 | K132 D231 | K132-Q233 VanDerWaalsContact CE-O 3.29Å; K132-Q233 WeakPolarHBondContact CE-O 2.94Å; D231-Q233 PolarHBondContact O-N 3.37Å |
| 234 | L | 71.7 | Confident | 64.4 | Low | 35 Ų | 35 | 98.7 Ų | 98.7 | 18% | 0.183 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.5 | -176.4 | -80.6 | 150.5 | 0 | 0 | 0 | 113.2 | M78 L125 M129 D231 A232 P236 | M78-L234 HydrophobicContact CB-CD2 4.15Å; M78-L234 HydrophobicContact CG-CD2 3.49Å; M78-L234 VanDerWaalsContact CG-CD2 3.49Å; M78-L234 HydrophobicContact CG-CG 4.42Å; M78-L234 HydrophobicContact SD-CD2 3.77Å; L125-L234 HydrophobicContact CD1-CD2 4.31Å; M129-L234 HydrophobicContact CG-CD2 3.73Å; M129-L234 HydrophobicContact SD-CD2 4.47Å; D231-L234 PolarHBondContact O-N 2.92Å; A232-L234 VanDerWaalsContact C-N 3.34Å; A232-L234 PolarHBondContact O-N 2.95Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å |
| 235 | I | 80.5 | Confident | 66 | Low | 29 Ų | 29 | 92.8 Ų | 92.8 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -76.3 | 127.8 | -172.8 | -65.8 | 165.3 | 0 | 0 | 0 | 109.7 | L227 D231 | L227-I235 HydrophobicContact CD1-CD1 3.73Å; L227-I235 HydrophobicContact CD2-CD1 3.26Å; L227-I235 HydrophobicContact CG-CD1 4.13Å; D231-I235 WeakPolarHBondContact O-CG1 2.9Å |
| 236 | P | 86.4 | Confident | 68.4 | Low | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.013 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 146 | 175 | -22.2 | 31.9 | 0 | 0 | 0 | 112.3 | H128 I131 K132 Y185 L234 R238 | H128-P236 HydrophobicContact CB-CG 4.44Å; I131-P236 HydrophobicContact CB-CB 4.17Å; I131-P236 HydrophobicContact CB-CG 3.84Å; I131-P236 HydrophobicContact CG2-CB 3.68Å; I131-P236 HydrophobicContact CG2-CG 3.92Å; K132-P236 HydrophobicContact CB-CG 4.45Å; Y185-P236 HydrophobicContact CD1-CB 3.67Å; Y185-P236 HydrophobicContact CD1-CG 4.21Å; Y185-P236 HydrophobicContact CD2-CB 4.32Å; Y185-P236 HydrophobicContact CD2-CG 4.37Å; Y185-P236 HydrophobicContact CE1-CB 3.94Å; Y185-P236 HydrophobicContact CE1-CG 4.02Å; Y185-P236 HydrophobicContact CE2-CG 4.17Å; Y185-P236 HydrophobicContact CG-CB 3.91Å; Y185-P236 HydrophobicContact CG-CG 4.4Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å; P236-R238 PolarHBondContact O-N 3.42Å |
| 237 | Y | 87 | Confident | 70.6 | Confident | 101 Ų | 101 | 88 Ų | 88 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 137.6 | 175.4 | -63.1 | -59.4 | 0 | 0 | 0 | 110.8 | K132 Q135 E136 R139 Y185 C186 | K132-Y237 PolarHBondContact NZ-OH 3.49Å; K132-Y237 VanDerWaalsContact NZ-OH 3.09Å; Q135-Y237 HydrophobicContact CB-CD2 4.22Å; Q135-Y237 PolarHBondContact NE2-O 3.31Å; Q135-Y237 VanDerWaalsContact NE2-O 3.11Å; E136-Y237 VanDerWaalsContact OE1-CE2 3.26Å; E136-Y237 WeakPolarHBondContact OE1-CE2 3.28Å; E136-Y237 PolarHBondContact OE1-OH 3.24Å; E136-Y237 VanDerWaalsContact OE1-OH 3.11Å; R139-Y237 PolarHBondContact NH1-OH 3.44Å; R139-Y237 VanDerWaalsContact NH1-OH 3.1Å; Y185-Y237 CarbonylContact C-O 3.3Å; Y185-Y237 WeakPolarHBondContact CA-O 3.5Å; C186-Y237 PolarHBondContact N-O 2.93Å |
| 238 | R | 85.1 | Confident | 73 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 33% | 0.332 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 155.5 | 177.7 | -65.1 | -178.2 | -167.3 | -175.8 | 7.2 | 110.6 | G184 Y185 D223 P236 | G184-R238 WeakPolarHBondContact O-CA 3.29Å; Y185-R238 HydrophobicContact CD1-CG 3.78Å; Y185-R238 HydrophobicContact CE1-CG 4.22Å; D223-R238 IonicContact OD1-CZ 2.7Å; D223-R238 IonicContact OD1-NH1 2.7Å; D223-R238 PolarHBondContact OD1-NH1 3.08Å; P236-R238 PolarHBondContact O-N 3.42Å |
| 239 | Y | 80.7 | Confident | 75.2 | Confident | 75 Ų | 75 | 84.5 Ų | 84.5 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | trans | -65.7 | 152.6 | 171 | -70.1 | -61.1 | 0 | 0 | 0 | 112.1 | G184 Y185 C186 E187 R243 | G184-Y239 PolarHBondContact O-N 2.78Å; Y185-Y239 WeakPolarHBondContact O-CE2 3.44Å; C186-Y239 HydrophobicContact CB-CE1 4.26Å; E187-Y239 WeakPolarHBondContact CB-OH 3.39Å; E187-Y239 PolarHBondContact N-OH 3.47Å; Y239-R243 VanDerWaalsContact CB-CZ 3.46Å; Y239-R243 VanDerWaalsContact CD1-CZ 3.41Å | ||
| 240 | P | 75.9 | Confident | 77.3 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | trans | -64.7 | 152.1 | 177.7 | 25.8 | -34 | 0 | 0 | 0 | 112.6 | N242 | P240-N242 VanDerWaalsContact C-N 3.33Å; P240-N242 PolarHBondContact O-N 3.05Å | ||
| 241 | T | 70.3 | Confident | 79.3 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -73.5 | -11.3 | -169.6 | 49.8 | 0 | 0 | 0 | 0 | 115.7 | T220 R243 | T220-T241 HydrophobicContact CG2-CG2 4.37Å; T241-R243 PolarHBondContact O-N 3.26Å |
| 242 | N | 71.5 | Confident | 81.3 | Confident | 160 Ų | 160 | 70 Ų | 70 | 86% | 0.856 | 34% | 0.34 | S | S | * | . | trans | -78.2 | 36.7 | -177.1 | -69.7 | -4.3 | 0 | 0 | 0 | 114.1 | P240 | P240-N242 VanDerWaalsContact C-N 3.33Å; P240-N242 PolarHBondContact O-N 3.05Å | ||
| 243 | R | 75.2 | Confident | 83 | Confident | 138 Ų | 138 | 68 Ų | 68 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -109.4 | 166.6 | -174.4 | -70.4 | -173.3 | 175.7 | -166.3 | 1.5 | 112.5 | Y239 T241 I245 | Y239-R243 VanDerWaalsContact CB-CZ 3.46Å; Y239-R243 VanDerWaalsContact CD1-CZ 3.41Å; T241-R243 PolarHBondContact O-N 3.26Å; R243-I245 PolarHBondContact O-N 3.5Å |
| 244 | Y | 83.6 | Confident | 84.3 | Confident | 132 Ų | 132 | 62.9 Ų | 62.9 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | trans | -58.8 | 129.1 | 175.9 | -171.2 | -109 | 0 | 0 | 0 | 111.6 | P246 E251 | Y244-P246 HydrophobicContact CE1-CG 4.46Å; Y244-E251 HydrophobicContact CE1-CG 4.44Å; Y244-E251 PolarHBondContact OH-OE1 3.03Å | ||
| 245 | I | 84.8 | Confident | 85.3 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 22% | 0.221 | 31% | 0.311 | C | S | . | . | trans | -117.4 | 114.6 | 175.1 | -55.4 | 174.5 | 0 | 0 | 0 | 107.6 | K217 T220 R243 D247 | K217-I245 HydrophobicContact CD-CG2 4.39Å; K217-I245 VanDerWaalsContact CE-CG2 3.46Å; K217-I245 HydrophobicContact CG-CG2 3.96Å; T220-I245 HydrophobicContact CG2-CD1 3.75Å; R243-I245 PolarHBondContact O-N 3.5Å; I245-D247 PolarHBondContact O-N 3.38Å | ||
| 246 | P | 88.4 | Confident | 86 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 8% | 0.078 | 31% | 0.306 | C | S | . | . | trans | -49.4 | 136.7 | 175.4 | -30.8 | 37.6 | 0 | 0 | 0 | 112.6 | Y244 E251 E252 F255 | Y244-P246 HydrophobicContact CE1-CG 4.46Å; P246-E251 HydrophobicContact CB-CB 4.27Å; P246-E251 HydrophobicContact CB-CG 3.96Å; P246-E252 HydrophobicContact CB-CB 3.68Å; P246-E252 HydrophobicContact CB-CG 4.27Å; P246-E252 HydrophobicContact CG-CB 3.99Å; P246-E252 HydrophobicContact CG-CG 4.13Å; P246-F255 HydrophobicContact CG-CB 4.38Å | ||
| 247 | D | 85.7 | Confident | 86.3 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.8 | -25.3 | -178.2 | -77.1 | -31 | 0 | 0 | 0 | 112.3 | K217 I245 E251 | K217-D247 IonicContact NZ-OD1 3.28Å; K217-D247 PolarHBondContact NZ-OD1 2.9Å; I245-D247 PolarHBondContact O-N 3.38Å; D247-E251 PolarHBondContact N-OE2 3.37Å |
| 248 | N | 89.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -144.6 | 164 | -173.8 | 67.6 | 70.3 | 0 | 0 | 0 | 113.2 | Y215 I250 E251 E252 | Y215-N248 VanDerWaalsContact CZ-C 3.48Å; N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.48Å; N248-I250 PolarHBondContact OD1-N 3.17Å; N248-E251 PolarHBondContact O-N 3.43Å; N248-E251 WeakPolarHBondContact OD1-CB 3.48Å; N248-E251 PolarHBondContact OD1-N 2.9Å; N248-E252 PolarHBondContact O-N 2.98Å |
| 249 | R | 91 | Very high | 86.9 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -49.9 | -44.9 | 178.6 | -178.8 | -174.7 | 62.7 | 154.9 | -2.9 | 113.8 | L206 V210 Y215 A253 | L206-R249 HydrophobicContact CB-CG 4.42Å; L206-R249 WeakPolarHBondContact O-CD 3.38Å; V210-R249 WeakPolarHBondContact O-CD 3.28Å; V210-R249 PolarHBondContact O-NH1 3.08Å; Y215-R249 HydrophobicContact CD1-CB 4.47Å; Y215-R249 HydrophobicContact CD2-CB 3.59Å; Y215-R249 HydrophobicContact CD2-CG 4.17Å; Y215-R249 HydrophobicContact CE2-CB 4.08Å; Y215-R249 HydrophobicContact CG-CB 3.8Å; R249-A253 WeakPolarHBondContact O-CB 3.49Å; R249-A253 PolarHBondContact O-N 3.35Å |
| 250 | I | 90.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.1 | -41.6 | -174.1 | -64.9 | 174.8 | 0 | 0 | 0 | 109.7 | N248 A253 I254 L298 V302 | N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.48Å; N248-I250 PolarHBondContact OD1-N 3.17Å; I250-A253 PolarHBondContact O-N 3.06Å; I250-I254 HydrophobicContact CG2-CD1 3.75Å; I250-I254 HydrophobicContact CG2-CG1 4.37Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.33Å; I250-I254 PolarHBondContact O-N 3.48Å; I250-L298 HydrophobicContact CG2-CD2 3.98Å; I250-V302 HydrophobicContact CG2-CG2 3.51Å |
| 251 | E | 90.8 | Very high | 88.2 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.6 | -177.2 | 168.9 | -138 | 0 | 0 | 112.5 | Y244 P246 D247 N248 A253 I254 F255 | Y244-E251 HydrophobicContact CE1-CG 4.44Å; Y244-E251 PolarHBondContact OH-OE1 3.03Å; P246-E251 HydrophobicContact CB-CB 4.27Å; P246-E251 HydrophobicContact CB-CG 3.96Å; D247-E251 PolarHBondContact N-OE2 3.37Å; N248-E251 PolarHBondContact O-N 3.43Å; N248-E251 WeakPolarHBondContact OD1-CB 3.48Å; N248-E251 PolarHBondContact OD1-N 2.9Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.25Å; E251-I254 PolarHBondContact O-N 3.35Å; E251-F255 VanDerWaalsContact O-CB 3.24Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.41Å |
| 252 | E | 93.9 | Very high | 89.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 176 | -167.7 | 170.8 | -175.7 | 0 | 0 | 111.4 | R180 F202 L206 Y215 P246 N248 F255 S256 | R180-E252 IonicContact CZ-OE1 3.9Å; R180-E252 IonicContact CZ-OE2 3.93Å; R180-E252 IonicContact NE-OE1 2.63Å; R180-E252 PolarHBondContact NE-OE1 3.41Å; R180-E252 IonicContact NE-OE2 3.09Å; R180-E252 IonicContact NH2-OE1 3.3Å; R180-E252 PolarHBondContact NH2-OE1 3.26Å; R180-E252 IonicContact NH2-OE2 2.67Å; R180-E252 PolarHBondContact NH2-OE2 3.12Å; F202-E252 HydrophobicContact CE1-CG 4.03Å; F202-E252 WeakPolarHBondContact CE1-OE1 3.27Å; F202-E252 HydrophobicContact CZ-CG 4.34Å; F202-E252 VanDerWaalsContact CZ-OE1 3.28Å; F202-E252 WeakPolarHBondContact CZ-OE1 3.46Å; L206-E252 HydrophobicContact CD1-CB 3.98Å; L206-E252 HydrophobicContact CD1-CG 3.81Å; Y215-E252 HydrophobicContact CE2-CB 4.48Å; Y215-E252 WeakPolarHBondContact CE2-OE2 3.42Å; Y215-E252 PolarHBondContact OH-OE2 2.88Å; P246-E252 HydrophobicContact CB-CB 3.68Å; P246-E252 HydrophobicContact CB-CG 4.27Å; P246-E252 HydrophobicContact CG-CB 3.99Å; P246-E252 HydrophobicContact CG-CG 4.13Å; N248-E252 PolarHBondContact O-N 2.98Å; E252-F255 PolarHBondContact O-N 2.91Å; E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.75Å; E252-S256 PolarHBondContact O-OG 2.89Å |
| 253 | A | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S203 L206 L207 R249 I250 E251 L257 L298 | S203-A253 WeakPolarHBondContact OG-CB 3.38Å; S203-A253 PolarHBondContact OG-O 3.41Å; L206-A253 HydrophobicContact CB-CB 4.29Å; L206-A253 HydrophobicContact CD1-CB 4.22Å; L207-A253 HydrophobicContact CD2-CB 3.91Å; L207-A253 HydrophobicContact CG-CB 4.23Å; R249-A253 WeakPolarHBondContact O-CB 3.49Å; R249-A253 PolarHBondContact O-N 3.35Å; I250-A253 PolarHBondContact O-N 3.06Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.25Å; A253-L257 WeakPolarHBondContact O-CG 3.34Å; A253-L257 PolarHBondContact O-N 2.88Å; A253-L298 HydrophobicContact CB-CD1 3.91Å |
| 254 | I | 93.6 | Very high | 90.3 | Very high | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 174.7 | -69.5 | 166 | 0 | 0 | 0 | 109.9 | I250 E251 S256 L257 M258 L298 L299 V302 | I250-I254 HydrophobicContact CG2-CD1 3.75Å; I250-I254 HydrophobicContact CG2-CG1 4.37Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.33Å; I250-I254 PolarHBondContact O-N 3.48Å; E251-I254 PolarHBondContact O-N 3.35Å; I254-S256 VanDerWaalsContact C-N 3.34Å; I254-S256 PolarHBondContact O-N 3.3Å; I254-L257 CarbonylContact O-C 3.44Å; I254-L257 PolarHBondContact O-N 3.29Å; I254-L257 VanDerWaalsContact O-N 3.1Å; I254-M258 HydrophobicContact CG2-CG 4.25Å; I254-M258 WeakPolarHBondContact O-CG 3.36Å; I254-M258 PolarHBondContact O-N 3.14Å; I254-L298 HydrophobicContact CG1-CB 4.04Å; I254-L298 HydrophobicContact CG1-CD1 4.06Å; I254-L298 HydrophobicContact CG1-CG 4.5Å; I254-L299 HydrophobicContact CD1-CD2 3.82Å; I254-L299 HydrophobicContact CG1-CD2 4.32Å; I254-L299 HydrophobicContact CG2-CD2 4.43Å; I254-V302 HydrophobicContact CD1-CG2 4.49Å |
| 255 | F | 92.7 | Very high | 90.2 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 40% | 0.404 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.7 | -45.2 | -179.8 | -173.8 | -100.9 | 0 | 0 | 0 | 111.6 | P246 E251 E252 L257 M258 I259 | P246-F255 HydrophobicContact CG-CB 4.38Å; E251-F255 VanDerWaalsContact O-CB 3.24Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.41Å; E252-F255 PolarHBondContact O-N 2.91Å; F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.24Å; F255-M258 PolarHBondContact O-N 3.21Å; F255-M258 VanDerWaalsContact O-N 3.16Å; F255-I259 HydrophobicContact CD1-CD1 4Å; F255-I259 HydrophobicContact CE1-CD1 3.7Å; F255-I259 HydrophobicContact CE1-CG1 4.43Å; F255-I259 HydrophobicContact CZ-CD1 4.41Å; F255-I259 PolarHBondContact O-N 3Å; F255-I259 VanDerWaalsContact O-N 3.08Å |
| 256 | S | 94.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | S199 F202 E252 I254 I259 S260 | S199-S256 VanDerWaalsContact CB-O 3.3Å; S199-S256 WeakPolarHBondContact CB-O 3.45Å; F202-S256 WeakPolarHBondContact CD1-OG 3.19Å; E252-S256 WeakPolarHBondContact O-CB 3.48Å; E252-S256 PolarHBondContact O-N 2.75Å; E252-S256 PolarHBondContact O-OG 2.89Å; I254-S256 VanDerWaalsContact C-N 3.34Å; I254-S256 PolarHBondContact O-N 3.3Å; S256-I259 PolarHBondContact O-N 3.42Å; S256-S260 PolarHBondContact O-N 3.49Å |
| 257 | L | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.2 | -33.7 | 175.6 | -72.6 | 167.1 | 0 | 0 | 0 | 113.4 | L200 S203 A253 I254 F255 I259 S260 E261 V291 L294 L295 L298 | L200-L257 HydrophobicContact CD1-CD2 3.6Å; S203-L257 VanDerWaalsContact OG-CD1 3.3Å; S203-L257 WeakPolarHBondContact OG-CD1 3.12Å; S203-L257 VanDerWaalsContact OG-CG 3.29Å; S203-L257 WeakPolarHBondContact OG-CG 3.4Å; A253-L257 WeakPolarHBondContact O-CG 3.34Å; A253-L257 PolarHBondContact O-N 2.88Å; I254-L257 CarbonylContact O-C 3.44Å; I254-L257 PolarHBondContact O-N 3.29Å; I254-L257 VanDerWaalsContact O-N 3.1Å; F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.24Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 2.63Å; L257-S260 CarbonylContact O-C 3.58Å; L257-S260 WeakPolarHBondContact O-CB 3.36Å; L257-S260 PolarHBondContact O-N 2.68Å; L257-E261 VanDerWaalsContact O-CB 3.25Å; L257-E261 WeakPolarHBondContact O-CB 3.34Å; L257-E261 PolarHBondContact O-N 3.45Å; L257-V291 HydrophobicContact CD2-CG1 4.19Å; L257-L294 HydrophobicContact CD1-CB 3.93Å; L257-L294 HydrophobicContact CD1-CD2 3.91Å; L257-L294 HydrophobicContact CD1-CG 3.77Å; L257-L294 HydrophobicContact CD2-CB 4.19Å; L257-L294 HydrophobicContact CD2-CD2 3.84Å; L257-L294 HydrophobicContact CD2-CG 4.37Å; L257-L294 HydrophobicContact CG-CD2 4.38Å; L257-L295 HydrophobicContact CB-CD2 3.52Å; L257-L295 HydrophobicContact CB-CG 3.86Å; L257-L295 HydrophobicContact CD1-CD2 4.04Å; L257-L295 HydrophobicContact CD1-CG 4.21Å; L257-L295 HydrophobicContact CG-CD2 4.44Å; L257-L298 HydrophobicContact CD1-CD1 3.44Å; L257-L298 VanDerWaalsContact CD1-CD1 3.44Å |
| 258 | M | 92.8 | Very high | 88.4 | Confident | 41 Ų | 41 | 35 Ų | 35 | 20% | 0.202 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -35.3 | 174.7 | -68.6 | -55 | -54.2 | 0 | 0 | 111.7 | I254 F255 E261 H262 L295 F307 | I254-M258 HydrophobicContact CG2-CG 4.25Å; I254-M258 WeakPolarHBondContact O-CG 3.36Å; I254-M258 PolarHBondContact O-N 3.14Å; F255-M258 PolarHBondContact O-N 3.21Å; F255-M258 VanDerWaalsContact O-N 3.16Å; M258-E261 PolarHBondContact O-N 3.07Å; M258-H262 WeakPolarHBondContact O-CB 3.27Å; M258-H262 PolarHBondContact O-N 3.38Å; M258-L295 HydrophobicContact SD-CD1 4.31Å; M258-L295 HydrophobicContact SD-CD2 4.1Å; M258-F307 HydrophobicContact CE-CZ 4.07Å; M258-F307 HydrophobicContact SD-CE1 4.06Å; M258-F307 HydrophobicContact SD-CZ 3.84Å |
| 259 | I | 92 | Very high | 87.2 | Confident | 48 Ų | 48 | 34.2 Ų | 34.2 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 171 | -64.1 | 167.9 | 0 | 0 | 0 | 109.8 | R195 F255 S256 L257 E261 H262 I263 | R195-I259 HydrophobicContact CG-CG2 4.12Å; F255-I259 HydrophobicContact CD1-CD1 4Å; F255-I259 HydrophobicContact CE1-CD1 3.7Å; F255-I259 HydrophobicContact CE1-CG1 4.43Å; F255-I259 HydrophobicContact CZ-CD1 4.41Å; F255-I259 PolarHBondContact O-N 3Å; F255-I259 VanDerWaalsContact O-N 3.08Å; S256-I259 PolarHBondContact O-N 3.42Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 2.63Å; I259-E261 VanDerWaalsContact C-N 3.3Å; I259-E261 PolarHBondContact O-N 3.29Å; I259-H262 PolarHBondContact O-N 3.16Å; I259-I263 HydrophobicContact CG2-CD1 4.03Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.25Å; I259-I263 VanDerWaalsContact O-N 3.16Å |
| 260 | S | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.9 | -168.3 | 0 | 0 | 0 | 0 | 112.5 | R196 S256 L257 A264 V291 | R196-S260 WeakPolarHBondContact CG-OG 3.12Å; R196-S260 PolarHBondContact O-OG 3Å; S256-S260 PolarHBondContact O-N 3.49Å; L257-S260 CarbonylContact O-C 3.58Å; L257-S260 WeakPolarHBondContact O-CB 3.36Å; L257-S260 PolarHBondContact O-N 2.68Å; S260-A264 WeakPolarHBondContact O-CB 3.17Å; S260-A264 PolarHBondContact O-N 3.24Å; S260-V291 VanDerWaalsContact OG-CG2 3.23Å; S260-V291 WeakPolarHBondContact OG-CG2 3.34Å |
| 261 | E | 91.3 | Very high | 84.5 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -46.8 | 179.3 | -175.5 | -92.4 | 167.3 | 0 | 0 | 110.7 | L257 M258 I259 I263 A264 S265 V291 Y292 L295 | L257-E261 VanDerWaalsContact O-CB 3.25Å; L257-E261 WeakPolarHBondContact O-CB 3.34Å; L257-E261 PolarHBondContact O-N 3.45Å; M258-E261 PolarHBondContact O-N 3.07Å; I259-E261 VanDerWaalsContact C-N 3.3Å; I259-E261 PolarHBondContact O-N 3.29Å; E261-I263 VanDerWaalsContact C-N 3.35Å; E261-I263 PolarHBondContact O-N 3.45Å; E261-A264 PolarHBondContact O-N 2.87Å; E261-S265 VanDerWaalsContact O-CB 3.23Å; E261-S265 WeakPolarHBondContact O-CB 3.38Å; E261-S265 PolarHBondContact O-N 2.95Å; E261-S265 PolarHBondContact O-OG 3.39Å; E261-V291 HydrophobicContact CB-CG1 3.76Å; E261-Y292 HydrophobicContact CG-CE1 3.67Å; E261-Y292 HydrophobicContact CG-CE2 4.33Å; E261-Y292 WeakPolarHBondContact CG-OH 3.31Å; E261-Y292 PolarHBondContact OE1-OH 3.4Å; E261-L295 HydrophobicContact CB-CD1 4.14Å; E261-L295 HydrophobicContact CG-CD1 4.12Å |
| 262 | H | 89 | Confident | 83.2 | Confident | 100 Ų | 100 | 46.2 Ų | 46.2 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 178.9 | -175.7 | 64 | 0 | 0 | 0 | 111.4 | M258 I259 S265 Q266 | M258-H262 WeakPolarHBondContact O-CB 3.27Å; M258-H262 PolarHBondContact O-N 3.38Å; I259-H262 PolarHBondContact O-N 3.16Å; H262-S265 PolarHBondContact O-OG 3.29Å; H262-Q266 PolarHBondContact CE1-NE2 3.01Å; H262-Q266 PolarHBondContact NE2-NE2 3.01Å; H262-Q266 WeakPolarHBondContact O-CG 3.31Å; H262-Q266 PolarHBondContact O-N 3.25Å |
| 263 | I | 87.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -48.7 | 179 | -60.8 | 168.5 | 0 | 0 | 0 | 110.3 | R192 R195 R196 I259 E261 S265 Q266 D267 | R192-I263 HydrophobicContact CB-CG2 3.98Å; R195-I263 HydrophobicContact CB-CD1 3.92Å; R195-I263 HydrophobicContact CG-CD1 3.62Å; R196-I263 HydrophobicContact CB-CB 4.22Å; R196-I263 HydrophobicContact CB-CG2 3.91Å; I259-I263 HydrophobicContact CG2-CD1 4.03Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.25Å; I259-I263 VanDerWaalsContact O-N 3.16Å; E261-I263 VanDerWaalsContact C-N 3.35Å; E261-I263 PolarHBondContact O-N 3.45Å; I263-S265 VanDerWaalsContact C-N 3.27Å; I263-S265 PolarHBondContact O-N 3.11Å; I263-Q266 PolarHBondContact O-N 3.17Å; I263-Q266 VanDerWaalsContact O-N 3.17Å; I263-D267 PolarHBondContact O-N 2.88Å; I263-D267 VanDerWaalsContact O-N 3.17Å |
| 264 | A | 84 | Confident | 79.5 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | R196 S260 E261 Q266 D267 V268 A288 | R196-A264 HydrophobicContact CG-CB 4.45Å; S260-A264 WeakPolarHBondContact O-CB 3.17Å; S260-A264 PolarHBondContact O-N 3.24Å; E261-A264 PolarHBondContact O-N 2.87Å; A264-Q266 VanDerWaalsContact C-N 3.31Å; A264-Q266 PolarHBondContact O-N 2.97Å; A264-D267 PolarHBondContact O-N 2.93Å; A264-V268 WeakPolarHBondContact O-CG2 3.48Å; A264-V268 PolarHBondContact O-N 3.22Å; A264-A288 HydrophobicContact CB-CB 4.29Å |
| 265 | S | 80.3 | Confident | 77.5 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -27.9 | -179.2 | 73.2 | 0 | 0 | 0 | 0 | 114 | E261 H262 I263 | E261-S265 VanDerWaalsContact O-CB 3.23Å; E261-S265 WeakPolarHBondContact O-CB 3.38Å; E261-S265 PolarHBondContact O-N 2.95Å; E261-S265 PolarHBondContact O-OG 3.39Å; H262-S265 PolarHBondContact O-OG 3.29Å; I263-S265 VanDerWaalsContact C-N 3.27Å; I263-S265 PolarHBondContact O-N 3.11Å |
| 266 | Q | 79.4 | Confident | 75.7 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -80.4 | -33.6 | 175.9 | -70.9 | 178.8 | 2.7 | 0 | 0 | 112.2 | H262 I263 A264 V268 | H262-Q266 PolarHBondContact CE1-NE2 3.01Å; H262-Q266 PolarHBondContact NE2-NE2 3.01Å; H262-Q266 WeakPolarHBondContact O-CG 3.31Å; H262-Q266 PolarHBondContact O-N 3.25Å; I263-Q266 PolarHBondContact O-N 3.17Å; I263-Q266 VanDerWaalsContact O-N 3.17Å; A264-Q266 VanDerWaalsContact C-N 3.31Å; A264-Q266 PolarHBondContact O-N 2.97Å; Q266-V268 PolarHBondContact O-N 3.31Å |
| 267 | D | 73.1 | Confident | 73.9 | Confident | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.8 | -12.8 | -179.6 | -68.8 | -16 | 0 | 0 | 0 | 112.9 | R196 I263 A264 I269 | R196-D267 IonicContact NH1-OD2 3.67Å; R196-D267 PolarHBondContact NH1-OD2 3.41Å; I263-D267 PolarHBondContact O-N 2.88Å; I263-D267 VanDerWaalsContact O-N 3.17Å; A264-D267 PolarHBondContact O-N 2.93Å; D267-I269 PolarHBondContact O-N 2.74Å |
| 268 | V | 69 | Low | 72.7 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | trans | -73.3 | 120.9 | -175.8 | -159.9 | 0 | 0 | 0 | 0 | 111.1 | A264 Q266 L270 A288 F318 | A264-V268 WeakPolarHBondContact O-CG2 3.48Å; A264-V268 PolarHBondContact O-N 3.22Å; Q266-V268 PolarHBondContact O-N 3.31Å; V268-L270 PolarHBondContact O-N 3.18Å; V268-L270 VanDerWaalsContact O-N 3.13Å; V268-A288 HydrophobicContact CG2-CB 4.33Å; V268-F318 HydrophobicContact CB-CB 3.73Å; V268-F318 HydrophobicContact CB-CD1 4Å; V268-F318 HydrophobicContact CB-CD2 4.29Å; V268-F318 HydrophobicContact CB-CG 3.74Å; V268-F318 HydrophobicContact CG1-CB 3.33Å; V268-F318 HydrophobicContact CG1-CD1 4.39Å; V268-F318 HydrophobicContact CG1-CD2 3.89Å; V268-F318 HydrophobicContact CG1-CG 3.62Å; V268-F318 HydrophobicContact CG2-CB 4.25Å; V268-F318 HydrophobicContact CG2-CD1 3.73Å; V268-F318 HydrophobicContact CG2-CD2 3.91Å; V268-F318 HydrophobicContact CG2-CE1 4.03Å; V268-F318 HydrophobicContact CG2-CE2 4.2Å; V268-F318 HydrophobicContact CG2-CG 3.68Å; V268-F318 HydrophobicContact CG2-CZ 4.26Å | ||
| 269 | I | 65.2 | Low | 71.7 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | trans | -74.1 | 104.7 | -179.2 | -44.5 | 179.1 | 0 | 0 | 0 | 108.8 | D267 N271 L276 | D267-I269 PolarHBondContact O-N 2.74Å; I269-N271 WeakPolarHBondContact CG2-O 3.31Å; I269-L276 HydrophobicContact CD1-CD1 3.6Å; I269-L276 HydrophobicContact CG2-CD1 3.75Å | ||
| 270 | L | 64.5 | Low | 70.6 | Confident | 112 Ų | 112 | 74 Ų | 74 | 59% | 0.586 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -72.1 | -46.2 | -177.7 | -63.8 | 177.8 | 0 | 0 | 0 | 112.2 | V268 R272 K317 F318 | V268-L270 PolarHBondContact O-N 3.18Å; V268-L270 VanDerWaalsContact O-N 3.13Å; L270-R272 PolarHBondContact O-N 2.87Å; L270-K317 VanDerWaalsContact CD2-O 3.25Å; L270-K317 WeakPolarHBondContact CD2-O 3.49Å; L270-F318 HydrophobicContact CD2-CB 3.91Å |
| 271 | N | 60.1 | Low | 69.6 | Low | 136 Ų | 136 | 75.6 Ų | 75.6 | 73% | 0.727 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -77.6 | 121.3 | 172.3 | -71.3 | -15.3 | 0 | 0 | 0 | 107 | I269 P273 | I269-N271 WeakPolarHBondContact CG2-O 3.31Å; N271-P273 WeakPolarHBondContact O-CD 3.4Å |
| 272 | R | 64.6 | Low | 69 | Low | 129 Ų | 129 | 78.9 Ų | 78.9 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | trans | -96.3 | 70.1 | 172 | -59.2 | 179.3 | -173.5 | 167.4 | 3.6 | 108.7 | L270 I281 Y320 | L270-R272 PolarHBondContact O-N 2.87Å; R272-I281 HydrophobicContact CB-CD1 4.42Å; R272-I281 HydrophobicContact CG-CD1 4.47Å; R272-Y320 PolarHBondContact NH2-O 3.17Å | ||
| 273 | P | 54.1 | Low | 68.5 | Low | 57 Ų | 57 | 82.7 Ų | 82.7 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | trans | -61.1 | 146.7 | 175.8 | 29.2 | -35 | 0 | 0 | 0 | 109 | N271 E275 L276 | N271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-E275 PolarHBondContact O-N 3.38Å; P273-L276 HydrophobicContact CG-CD1 4.01Å; P273-L276 HydrophobicContact CG-CG 4.18Å; P273-L276 PolarHBondContact O-N 3.34Å | ||
| 274 | S | 56.2 | Low | 68 | Low | 126 Ų | 126 | 83.6 Ų | 83.6 | 88% | 0.881 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -11.6 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 275 | E | 52 | Low | 68 | Low | 178 Ų | 178 | 84.7 Ų | 84.7 | 83% | 0.832 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.9 | -175.1 | -63.4 | 175.1 | 177.9 | 0 | 0 | 114.1 | P273 | P273-E275 PolarHBondContact O-N 3.38Š|
| 276 | L | 53.7 | Low | 68.1 | Low | 58 Ų | 58 | 87.1 Ų | 87.1 | 30% | 0.304 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -82.7 | 138 | 178.3 | -77.7 | 169.7 | 0 | 0 | 0 | 111.2 | I269 P273 E278 I281 | I269-L276 HydrophobicContact CD1-CD1 3.6Å; I269-L276 HydrophobicContact CG2-CD1 3.75Å; P273-L276 HydrophobicContact CG-CD1 4.01Å; P273-L276 HydrophobicContact CG-CG 4.18Å; P273-L276 PolarHBondContact O-N 3.34Å; L276-E278 PolarHBondContact O-N 3.42Å; L276-E278 VanDerWaalsContact O-N 3.12Å; L276-I281 HydrophobicContact CB-CD1 4.02Å; L276-I281 HydrophobicContact CB-CG1 4.39Å; L276-I281 HydrophobicContact CD1-CD1 4.42Å; L276-I281 HydrophobicContact CD1-CG1 4.5Å |
| 277 | S | 57.6 | Low | 68.2 | Low | 49 Ų | 49 | 85 Ų | 85 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | trans | -60.2 | 118.6 | 171.3 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | P279 Q280 | S277-P279 WeakPolarHBondContact O-CD 3.38Å; S277-Q280 PolarHBondContact O-N 2.85Å | ||
| 278 | E | 67.8 | Low | 68.8 | Low | 156 Ų | 156 | 82.3 Ų | 82.3 | 73% | 0.729 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -39.1 | -39.9 | 171.7 | -158.7 | 167.7 | -165.5 | 0 | 0 | 114.1 | L276 Q280 I281 V282 | L276-E278 PolarHBondContact O-N 3.42Å; L276-E278 VanDerWaalsContact O-N 3.12Å; E278-Q280 PolarHBondContact O-N 2.93Å; E278-I281 PolarHBondContact O-N 3.33Å; E278-V282 VanDerWaalsContact O-CG2 3.3Å; E278-V282 WeakPolarHBondContact O-CG2 3.44Å; E278-V282 PolarHBondContact O-N 3.08Å; E278-V282 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 71.2 | Confident | 69.7 | Low | 90 Ų | 90 | 81.9 Ų | 81.9 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.9 | -34.1 | 176.7 | 22.1 | -36.6 | 0 | 0 | 0 | 115.5 | S277 V282 R283 | S277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-V282 PolarHBondContact O-N 2.97Å; P279-R283 WeakPolarHBondContact O-CB 3.41Å; P279-R283 PolarHBondContact O-N 3.39Å |
| 280 | Q | 70.5 | Confident | 70.8 | Confident | 96 Ų | 96 | 81.2 Ų | 81.2 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.7 | -39 | -177.9 | -169.9 | 176.3 | 9.9 | 0 | 0 | 111.6 | S277 E278 R283 S284 | S277-Q280 PolarHBondContact O-N 2.85Å; E278-Q280 PolarHBondContact O-N 2.93Å; Q280-R283 PolarHBondContact O-N 3.22Å; Q280-S284 PolarHBondContact O-N 2.77Å; Q280-S284 PolarHBondContact O-OG 3.26Å |
| 281 | I | 71.7 | Confident | 72.1 | Confident | 33 Ų | 33 | 76 Ų | 76 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.9 | -61.6 | 173.5 | 0 | 0 | 0 | 109.9 | R272 L276 E278 R283 S284 F285 | R272-I281 HydrophobicContact CB-CD1 4.42Å; R272-I281 HydrophobicContact CG-CD1 4.47Å; L276-I281 HydrophobicContact CB-CD1 4.02Å; L276-I281 HydrophobicContact CB-CG1 4.39Å; L276-I281 HydrophobicContact CD1-CD1 4.42Å; L276-I281 HydrophobicContact CD1-CG1 4.5Å; E278-I281 PolarHBondContact O-N 3.33Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.3Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 PolarHBondContact O-OG 3.43Å; I281-F285 WeakPolarHBondContact O-CB 3.47Å; I281-F285 PolarHBondContact O-N 2.79Å |
| 282 | V | 78.1 | Confident | 73.7 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | E278 P279 F285 N286 | E278-V282 VanDerWaalsContact O-CG2 3.3Å; E278-V282 WeakPolarHBondContact O-CG2 3.44Å; E278-V282 PolarHBondContact O-N 3.08Å; E278-V282 VanDerWaalsContact O-N 3.13Å; P279-V282 PolarHBondContact O-N 2.97Å; V282-F285 PolarHBondContact O-N 3.27Å; V282-N286 WeakPolarHBondContact CG1-ND2 3.46Å; V282-N286 WeakPolarHBondContact O-CB 3.41Å; V282-N286 PolarHBondContact O-N 3.49Å; V282-N286 PolarHBondContact O-ND2 3.49Å |
| 283 | R | 78.5 | Confident | 75 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 178.8 | -173.1 | 177 | -178.9 | -174.2 | -1.9 | 112.6 | P279 Q280 I281 N286 N287 | P279-R283 WeakPolarHBondContact O-CB 3.41Å; P279-R283 PolarHBondContact O-N 3.39Å; Q280-R283 PolarHBondContact O-N 3.22Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.3Å; R283-N286 PolarHBondContact O-N 3.26Å; R283-N287 PolarHBondContact O-N 3.26Å; R283-N287 VanDerWaalsContact O-N 3.1Å; R283-N287 PolarHBondContact O-ND2 3.37Å |
| 284 | S | 77.7 | Confident | 76.9 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 179 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | Q280 I281 N287 A288 | Q280-S284 PolarHBondContact O-N 2.77Å; Q280-S284 PolarHBondContact O-OG 3.26Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 PolarHBondContact O-OG 3.43Å; S284-N287 PolarHBondContact O-N 2.98Å; S284-A288 PolarHBondContact O-N 3.02Å; S284-A288 VanDerWaalsContact O-N 3.13Å |
| 285 | F | 82.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 174 | 176.9 | -99.8 | 0 | 0 | 0 | 112.5 | I281 V282 N287 A288 A289 Q322 I325 | I281-F285 WeakPolarHBondContact O-CB 3.47Å; I281-F285 PolarHBondContact O-N 2.79Å; V282-F285 PolarHBondContact O-N 3.27Å; F285-N287 VanDerWaalsContact C-N 3.25Å; F285-N287 PolarHBondContact O-N 3.19Å; F285-A288 PolarHBondContact O-N 3.04Å; F285-A288 VanDerWaalsContact O-N 3.08Å; F285-A289 HydrophobicContact CE1-CB 4.35Å; F285-A289 HydrophobicContact CZ-CB 4.44Å; F285-A289 WeakPolarHBondContact O-CB 3.27Å; F285-A289 PolarHBondContact O-N 2.66Å; F285-Q322 HydrophobicContact CD2-CG 4.31Å; F285-Q322 HydrophobicContact CE1-CG 4.27Å; F285-Q322 HydrophobicContact CE2-CB 4Å; F285-Q322 HydrophobicContact CE2-CG 3.48Å; F285-Q322 VanDerWaalsContact CE2-CG 3.48Å; F285-Q322 HydrophobicContact CZ-CB 3.74Å; F285-Q322 VanDerWaalsContact CZ-CD 3.41Å; F285-Q322 HydrophobicContact CZ-CG 3.46Å; F285-Q322 VanDerWaalsContact CZ-CG 3.46Å; F285-I325 HydrophobicContact CE2-CD1 3.53Å; F285-I325 HydrophobicContact CZ-CD1 3.7Å |
| 286 | N | 83.6 | Confident | 80.7 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | -179.3 | -73 | -16.5 | 0 | 0 | 0 | 112 | V282 R283 A290 | V282-N286 WeakPolarHBondContact CG1-ND2 3.46Å; V282-N286 WeakPolarHBondContact O-CB 3.41Å; V282-N286 PolarHBondContact O-N 3.49Å; V282-N286 PolarHBondContact O-ND2 3.49Å; R283-N286 PolarHBondContact O-N 3.26Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.25Å |
| 287 | N | 81.2 | Confident | 82.5 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.6 | -70.3 | -23.6 | 0 | 0 | 0 | 111.9 | R196 R283 S284 F285 V291 | R196-N287 PolarHBondContact NH2-ND2 3.02Å; R283-N287 PolarHBondContact O-N 3.26Å; R283-N287 VanDerWaalsContact O-N 3.1Å; R283-N287 PolarHBondContact O-ND2 3.37Å; S284-N287 PolarHBondContact O-N 2.98Å; F285-N287 VanDerWaalsContact C-N 3.25Å; F285-N287 PolarHBondContact O-N 3.19Å; N287-V291 WeakPolarHBondContact O-CG2 3.4Å; N287-V291 PolarHBondContact O-N 3.39Å |
| 288 | A | 85.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A264 V268 S284 F285 A290 V291 Y292 F318 | A264-A288 HydrophobicContact CB-CB 4.29Å; V268-A288 HydrophobicContact CG2-CB 4.33Å; S284-A288 PolarHBondContact O-N 3.02Å; S284-A288 VanDerWaalsContact O-N 3.13Å; F285-A288 PolarHBondContact O-N 3.04Å; F285-A288 VanDerWaalsContact O-N 3.08Å; A288-A290 VanDerWaalsContact C-N 3.33Å; A288-A290 PolarHBondContact O-N 3.18Å; A288-V291 WeakPolarHBondContact O-CB 3.37Å; A288-V291 PolarHBondContact O-N 3.02Å; A288-V291 VanDerWaalsContact O-N 3.07Å; A288-Y292 WeakPolarHBondContact O-CD2 3.32Å; A288-Y292 PolarHBondContact O-N 3.32Å; A288-F318 HydrophobicContact CB-CE2 3.87Å; A288-F318 HydrophobicContact CB-CZ 4.16Å |
| 289 | A | 87.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F285 V291 Y292 D293 | F285-A289 HydrophobicContact CE1-CB 4.35Å; F285-A289 HydrophobicContact CZ-CB 4.44Å; F285-A289 WeakPolarHBondContact O-CB 3.27Å; F285-A289 PolarHBondContact O-N 2.66Å; A289-V291 VanDerWaalsContact C-N 3.26Å; A289-V291 PolarHBondContact O-N 3.37Å; A289-Y292 PolarHBondContact O-N 3Å; A289-Y292 VanDerWaalsContact O-N 3.14Å; A289-D293 VanDerWaalsContact O-CG 3.26Å; A289-D293 PolarHBondContact O-N 2.99Å |
| 290 | A | 89 | Confident | 86.3 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -34.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N286 A288 L294 | N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.25Å; A288-A290 VanDerWaalsContact C-N 3.33Å; A288-A290 PolarHBondContact O-N 3.18Å; A290-L294 PolarHBondContact O-N 2.83Å |
| 291 | V | 91.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -45.9 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L200 L257 S260 E261 N287 A288 A289 L294 L295 | L200-V291 HydrophobicContact CD1-CG2 4.24Å; L200-V291 HydrophobicContact CD2-CG2 4.4Å; L257-V291 HydrophobicContact CD2-CG1 4.19Å; S260-V291 VanDerWaalsContact OG-CG2 3.23Å; S260-V291 WeakPolarHBondContact OG-CG2 3.34Å; E261-V291 HydrophobicContact CB-CG1 3.76Å; N287-V291 WeakPolarHBondContact O-CG2 3.4Å; N287-V291 PolarHBondContact O-N 3.39Å; A288-V291 WeakPolarHBondContact O-CB 3.37Å; A288-V291 PolarHBondContact O-N 3.02Å; A288-V291 VanDerWaalsContact O-N 3.07Å; A289-V291 VanDerWaalsContact C-N 3.26Å; A289-V291 PolarHBondContact O-N 3.37Å; V291-L294 PolarHBondContact O-N 3.39Å; V291-L295 HydrophobicContact CG1-CD1 4.11Å; V291-L295 WeakPolarHBondContact O-CB 3.38Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.24Å |
| 292 | Y | 92.8 | Very high | 88 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | 178.2 | -70.7 | -74.2 | 0 | 0 | 0 | 112.5 | E261 A288 A289 L294 L295 A296 C311 L312 A315 F318 | E261-Y292 HydrophobicContact CG-CE1 3.67Å; E261-Y292 HydrophobicContact CG-CE2 4.33Å; E261-Y292 WeakPolarHBondContact CG-OH 3.31Å; E261-Y292 PolarHBondContact OE1-OH 3.4Å; A288-Y292 WeakPolarHBondContact O-CD2 3.32Å; A288-Y292 PolarHBondContact O-N 3.32Å; A289-Y292 PolarHBondContact O-N 3Å; A289-Y292 VanDerWaalsContact O-N 3.14Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 2.88Å; Y292-L295 HydrophobicContact CD1-CD1 4.34Å; Y292-L295 PolarHBondContact O-N 3.14Å; Y292-A296 WeakPolarHBondContact O-CB 3.46Å; Y292-A296 PolarHBondContact O-N 3.17Å; Y292-C311 HydrophobicContact CE1-CB 4.38Å; Y292-C311 VanDerWaalsContact CE1-O 3.26Å; Y292-C311 WeakPolarHBondContact CE1-O 3.43Å; Y292-L312 HydrophobicContact CD1-CD2 4.09Å; Y292-L312 HydrophobicContact CG-CD2 4.27Å; Y292-A315 HydrophobicContact CD1-CB 4.14Å; Y292-A315 HydrophobicContact CD2-CB 3.95Å; Y292-A315 HydrophobicContact CE1-CB 3.81Å; Y292-A315 HydrophobicContact CE2-CB 3.67Å; Y292-A315 HydrophobicContact CG-CB 4.21Å; Y292-F318 HydrophobicContact CE2-CE2 4.36Å; Y292-F318 AromaticContact CE2-CZ 3.62Å; Y292-F318 HydrophobicContact CE2-CZ 3.62Å |
| 293 | D | 93.4 | Very high | 88.5 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 174.3 | -72.5 | -11.6 | 0 | 0 | 0 | 111.1 | A289 A296 I297 H324 Q328 | A289-D293 VanDerWaalsContact O-CG 3.26Å; A289-D293 PolarHBondContact O-N 2.99Å; D293-A296 WeakPolarHBondContact O-CB 3.49Å; D293-A296 PolarHBondContact O-N 3.01Å; D293-I297 WeakPolarHBondContact O-CG1 3.39Å; D293-I297 PolarHBondContact O-N 3.31Å; D293-H324 IonicContact OD1-CD2 3.76Å; D293-H324 IonicContact OD1-CE1 3.86Å; D293-H324 IonicContact OD1-NE2 3.96Å; D293-H324 PolarHBondContact OD1-NE2 3.49Å; D293-H324 IonicContact OD2-NE2 3.29Å; D293-H324 PolarHBondContact OD2-NE2 2.92Å; D293-Q328 PolarHBondContact OD1-NE2 2.93Å; D293-Q328 PolarHBondContact OD1-OE1 2.94Å |
| 294 | L | 93 | Very high | 89.1 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -35.3 | 179.9 | -160.3 | 61.3 | 0 | 0 | 0 | 112.1 | L200 E204 L207 L257 A290 V291 Y292 A296 I297 L298 | L200-L294 HydrophobicContact CD1-CD2 4.16Å; E204-L294 HydrophobicContact CG-CD2 3.9Å; L207-L294 HydrophobicContact CD1-CD1 3.69Å; L207-L294 HydrophobicContact CD1-CD2 4.13Å; L207-L294 HydrophobicContact CD1-CG 3.94Å; L257-L294 HydrophobicContact CD1-CB 3.93Å; L257-L294 HydrophobicContact CD1-CD2 3.91Å; L257-L294 HydrophobicContact CD1-CG 3.77Å; L257-L294 HydrophobicContact CD2-CB 4.19Å; L257-L294 HydrophobicContact CD2-CD2 3.84Å; L257-L294 HydrophobicContact CD2-CG 4.37Å; L257-L294 HydrophobicContact CG-CD2 4.38Å; A290-L294 PolarHBondContact O-N 2.83Å; V291-L294 PolarHBondContact O-N 3.39Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 2.88Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-I297 HydrophobicContact CD1-CD1 4.34Å; L294-I297 PolarHBondContact O-N 3.4Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 PolarHBondContact O-N 2.76Å |
| 295 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 170.3 | -78.2 | 172.5 | 0 | 0 | 0 | 111.4 | L257 M258 E261 V291 Y292 L298 L299 | L257-L295 HydrophobicContact CB-CD2 3.52Å; L257-L295 HydrophobicContact CB-CG 3.86Å; L257-L295 HydrophobicContact CD1-CD2 4.04Å; L257-L295 HydrophobicContact CD1-CG 4.21Å; L257-L295 HydrophobicContact CG-CD2 4.44Å; M258-L295 HydrophobicContact SD-CD1 4.31Å; M258-L295 HydrophobicContact SD-CD2 4.1Å; E261-L295 HydrophobicContact CB-CD1 4.14Å; E261-L295 HydrophobicContact CG-CD1 4.12Å; V291-L295 HydrophobicContact CG1-CD1 4.11Å; V291-L295 WeakPolarHBondContact O-CB 3.38Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.24Å; Y292-L295 HydrophobicContact CD1-CD1 4.34Å; Y292-L295 PolarHBondContact O-N 3.14Å; L295-L298 PolarHBondContact O-N 2.83Å; L295-L299 VanDerWaalsContact O-CB 3.27Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.87Å |
| 296 | A | 94.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y292 D293 L294 L298 T300 L308 | Y292-A296 WeakPolarHBondContact O-CB 3.46Å; Y292-A296 PolarHBondContact O-N 3.17Å; D293-A296 WeakPolarHBondContact O-CB 3.49Å; D293-A296 PolarHBondContact O-N 3.01Å; L294-A296 VanDerWaalsContact C-N 3.34Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.67Å; A296-T300 VanDerWaalsContact O-CB 3.27Å; A296-T300 WeakPolarHBondContact O-CB 3.5Å; A296-T300 WeakPolarHBondContact O-CG2 3.32Å; A296-T300 PolarHBondContact O-N 3.26Å; A296-T300 PolarHBondContact O-OG1 3.42Å; A296-L308 HydrophobicContact CB-CD1 3.98Å; A296-L308 HydrophobicContact CB-CD2 4.23Å |
| 297 | I | 92.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 176.6 | -66.4 | 166.1 | 0 | 0 | 0 | 111.4 | D293 L294 T300 K301 | D293-I297 WeakPolarHBondContact O-CG1 3.39Å; D293-I297 PolarHBondContact O-N 3.31Å; L294-I297 HydrophobicContact CD1-CD1 4.34Å; L294-I297 PolarHBondContact O-N 3.4Å; I297-T300 PolarHBondContact O-OG1 2.95Å; I297-K301 WeakPolarHBondContact O-CB 3.29Å; I297-K301 PolarHBondContact O-N 3.3Å |
| 298 | L | 91.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -48 | -178.5 | -88 | 170.2 | 0 | 0 | 0 | 113.3 | L207 I250 A253 I254 L257 L294 L295 A296 K301 V302 | L207-L298 HydrophobicContact CD1-CD1 3.76Å; L207-L298 HydrophobicContact CD1-CD2 4.08Å; L207-L298 HydrophobicContact CD1-CG 3.83Å; L207-L298 HydrophobicContact CD2-CD1 4.19Å; L207-L298 HydrophobicContact CD2-CD2 3.35Å; L207-L298 HydrophobicContact CD2-CG 4.07Å; L207-L298 HydrophobicContact CG-CD1 4.41Å; L207-L298 HydrophobicContact CG-CD2 4.32Å; I250-L298 HydrophobicContact CG2-CD2 3.98Å; A253-L298 HydrophobicContact CB-CD1 3.91Å; I254-L298 HydrophobicContact CG1-CB 4.04Å; I254-L298 HydrophobicContact CG1-CD1 4.06Å; I254-L298 HydrophobicContact CG1-CG 4.5Å; L257-L298 HydrophobicContact CD1-CD1 3.44Å; L257-L298 VanDerWaalsContact CD1-CD1 3.44Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 PolarHBondContact O-N 2.76Å; L295-L298 PolarHBondContact O-N 2.83Å; A296-L298 VanDerWaalsContact C-N 3.31Å; A296-L298 PolarHBondContact O-N 2.67Å; L298-K301 WeakPolarHBondContact O-CB 3.35Å; L298-K301 PolarHBondContact O-N 3.03Å; L298-V302 WeakPolarHBondContact O-CG2 3.33Å; L298-V302 PolarHBondContact O-N 3Å |
| 299 | L | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.7 | -30.7 | -175 | -66.8 | 175.8 | 0 | 0 | 0 | 112.1 | I254 L295 V302 K303 H304 F307 L308 | I254-L299 HydrophobicContact CD1-CD2 3.82Å; I254-L299 HydrophobicContact CG1-CD2 4.32Å; I254-L299 HydrophobicContact CG2-CD2 4.43Å; L295-L299 VanDerWaalsContact O-CB 3.27Å; L295-L299 WeakPolarHBondContact O-CB 3.28Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 2.87Å; L299-V302 CarbonylContact O-C 3.55Å; L299-V302 PolarHBondContact O-N 3.38Å; L299-K303 PolarHBondContact O-N 2.91Å; L299-H304 HydrophobicContact CD2-CB 4.17Å; L299-H304 PolarHBondContact O-N 3.34Å; L299-F307 HydrophobicContact CD1-CD1 3.58Å; L299-F307 HydrophobicContact CD1-CE1 4.03Å; L299-F307 HydrophobicContact CD2-CD1 3.66Å; L299-F307 HydrophobicContact CD2-CE1 4.19Å; L299-F307 HydrophobicContact CG-CD1 4.29Å; L299-L308 HydrophobicContact CB-CB 3.96Å; L299-L308 HydrophobicContact CB-CD1 4.45Å; L299-L308 HydrophobicContact CD1-CB 3.9Å; L299-L308 HydrophobicContact CD1-CD1 4.04Å |
| 300 | T | 91.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 37% | 0.368 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 170.3 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | A296 I297 V302 K303 F305 L308 | A296-T300 VanDerWaalsContact O-CB 3.27Å; A296-T300 WeakPolarHBondContact O-CB 3.5Å; A296-T300 WeakPolarHBondContact O-CG2 3.32Å; A296-T300 PolarHBondContact O-N 3.26Å; A296-T300 PolarHBondContact O-OG1 3.42Å; I297-T300 PolarHBondContact O-OG1 2.95Å; T300-V302 VanDerWaalsContact C-N 3.27Å; T300-V302 PolarHBondContact O-N 2.92Å; T300-K303 PolarHBondContact O-N 3.38Å; T300-F305 HydrophobicContact CG2-CD1 4.4Å; T300-F305 HydrophobicContact CG2-CE1 4Å; T300-L308 HydrophobicContact CG2-CD2 3.92Å |
| 301 | K | 87.3 | Confident | 92.3 | Very high | 139 Ų | 139 | 54.4 Ų | 54.4 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -33.4 | 176 | -172.3 | 174.7 | -176.4 | 169.3 | 0 | 113.2 | I297 L298 K303 | I297-K301 WeakPolarHBondContact O-CB 3.29Å; I297-K301 PolarHBondContact O-N 3.3Å; L298-K301 WeakPolarHBondContact O-CB 3.35Å; L298-K301 PolarHBondContact O-N 3.03Å; K301-K303 VanDerWaalsContact C-N 3.35Å |
| 302 | V | 89.4 | Confident | 92.4 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.8 | 175.8 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | I250 I254 L298 L299 T300 H304 | I250-V302 HydrophobicContact CG2-CG2 3.51Å; I254-V302 HydrophobicContact CD1-CG2 4.49Å; L298-V302 WeakPolarHBondContact O-CG2 3.33Å; L298-V302 PolarHBondContact O-N 3Å; L299-V302 CarbonylContact O-C 3.55Å; L299-V302 PolarHBondContact O-N 3.38Å; T300-V302 VanDerWaalsContact C-N 3.27Å; T300-V302 PolarHBondContact O-N 2.92Å; V302-H304 PolarHBondContact O-CD2 2.94Å; V302-H304 VanDerWaalsContact O-CD2 3.23Å; V302-H304 PolarHBondContact O-N 3.04Å |
| 303 | K | 88.5 | Confident | 92.3 | Very high | 159 Ų | 159 | 58.2 Ų | 58.2 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 28.8 | -176.1 | -55 | -176.4 | 176.6 | -172.7 | 0 | 113.8 | L299 T300 K301 F305 | L299-K303 PolarHBondContact O-N 2.91Å; T300-K303 PolarHBondContact O-N 3.38Å; K301-K303 VanDerWaalsContact C-N 3.35Å; K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 HydrophobicContact CB-CE2 3.92Å; K303-F305 HydrophobicContact CB-CZ 4.3Å; K303-F305 HydrophobicContact CG-CE2 4.38Å; K303-F305 HydrophobicContact CG-CZ 4.43Å; K303-F305 PolarHBondContact O-N 2.69Å |
| 304 | H | 91.9 | Very high | 92 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | trans | -90.8 | 52.7 | 179.2 | -79.2 | -160.7 | 0 | 0 | 0 | 111.7 | L299 V302 K306 F307 L308 | L299-H304 HydrophobicContact CD2-CB 4.17Å; L299-H304 PolarHBondContact O-N 3.34Å; V302-H304 PolarHBondContact O-CD2 2.94Å; V302-H304 VanDerWaalsContact O-CD2 3.23Å; V302-H304 PolarHBondContact O-N 3.04Å; H304-K306 VanDerWaalsContact C-N 3.33Å; H304-K306 PolarHBondContact O-N 3.43Å; H304-F307 HydrophobicContact CB-CB 4.42Å; H304-F307 PolarHBondContact O-N 2.96Å; H304-F307 VanDerWaalsContact O-N 3.07Å; H304-L308 PolarHBondContact O-N 2.83Å | ||
| 305 | F | 93.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -35.2 | -172.6 | -53.9 | -66.1 | 0 | 0 | 0 | 113.9 | T300 K303 F307 L308 S309 S335 | T300-F305 HydrophobicContact CG2-CD1 4.4Å; T300-F305 HydrophobicContact CG2-CE1 4Å; K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 HydrophobicContact CB-CE2 3.92Å; K303-F305 HydrophobicContact CB-CZ 4.3Å; K303-F305 HydrophobicContact CG-CE2 4.38Å; K303-F305 HydrophobicContact CG-CZ 4.43Å; K303-F305 PolarHBondContact O-N 2.69Å; F305-F307 VanDerWaalsContact C-N 3.29Å; F305-F307 PolarHBondContact O-N 3.49Å; F305-L308 PolarHBondContact O-N 3.32Å; F305-S309 PolarHBondContact O-N 3Å; F305-S309 PolarHBondContact O-OG 2.84Å; F305-S335 VanDerWaalsContact CD1-CB 3.4Å; F305-S335 VanDerWaalsContact CD2-O 3.29Å; F305-S335 WeakPolarHBondContact CD2-O 3.33Å |
| 306 | K | 93.6 | Very high | 91.4 | Very high | 145 Ų | 145 | 61.3 Ų | 61.3 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.8 | -31.4 | 175.7 | -70.5 | -172.9 | 179.2 | -175.2 | 0 | 113.2 | H304 S309 K310 | H304-K306 VanDerWaalsContact C-N 3.33Å; H304-K306 PolarHBondContact O-N 3.43Å; K306-S309 PolarHBondContact O-OG 3.37Å; K306-S309 VanDerWaalsContact O-OG 3.07Å; K306-K310 WeakPolarHBondContact O-CG 3.29Å; K306-K310 PolarHBondContact O-N 2.88Å |
| 307 | F | 93.2 | Very high | 90.9 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 37% | 0.373 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.6 | -41 | 176 | -177.3 | -118.4 | 0 | 0 | 0 | 110.3 | M258 L299 H304 F305 S309 K310 C311 | M258-F307 HydrophobicContact CE-CZ 4.07Å; M258-F307 HydrophobicContact SD-CE1 4.06Å; M258-F307 HydrophobicContact SD-CZ 3.84Å; L299-F307 HydrophobicContact CD1-CD1 3.58Å; L299-F307 HydrophobicContact CD1-CE1 4.03Å; L299-F307 HydrophobicContact CD2-CD1 3.66Å; L299-F307 HydrophobicContact CD2-CE1 4.19Å; L299-F307 HydrophobicContact CG-CD1 4.29Å; H304-F307 HydrophobicContact CB-CB 4.42Å; H304-F307 PolarHBondContact O-N 2.96Å; H304-F307 VanDerWaalsContact O-N 3.07Å; F305-F307 VanDerWaalsContact C-N 3.29Å; F305-F307 PolarHBondContact O-N 3.49Å; F307-S309 VanDerWaalsContact C-N 3.34Å; F307-S309 PolarHBondContact O-N 3.2Å; F307-K310 WeakPolarHBondContact O-CB 3.33Å; F307-K310 PolarHBondContact O-N 3.37Å; F307-C311 PolarHBondContact O-N 3.21Å; F307-C311 PolarHBondContact O-SG 2.92Å |
| 308 | L | 94.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 173.9 | 178.1 | 57.6 | 0 | 0 | 0 | 112.2 | A296 L299 T300 H304 F305 K310 C311 L312 | A296-L308 HydrophobicContact CB-CD1 3.98Å; A296-L308 HydrophobicContact CB-CD2 4.23Å; L299-L308 HydrophobicContact CB-CB 3.96Å; L299-L308 HydrophobicContact CB-CD1 4.45Å; L299-L308 HydrophobicContact CD1-CB 3.9Å; L299-L308 HydrophobicContact CD1-CD1 4.04Å; T300-L308 HydrophobicContact CG2-CD2 3.92Å; H304-L308 PolarHBondContact O-N 2.83Å; F305-L308 PolarHBondContact O-N 3.32Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 3.07Å; L308-C311 WeakPolarHBondContact O-CB 3.35Å; L308-C311 PolarHBondContact O-N 3.23Å; L308-C311 VanDerWaalsContact O-N 3.14Å; L308-L312 HydrophobicContact CD1-CD1 3.78Å; L308-L312 HydrophobicContact CD1-CG 4.09Å; L308-L312 HydrophobicContact CG-CD1 3.85Å; L308-L312 PolarHBondContact O-N 3.28Å |
| 309 | S | 95.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -40 | 178.3 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | F305 K306 F307 C311 L312 E313 F329 S332 | F305-S309 PolarHBondContact O-N 3Å; F305-S309 PolarHBondContact O-OG 2.84Å; K306-S309 PolarHBondContact O-OG 3.37Å; K306-S309 VanDerWaalsContact O-OG 3.07Å; F307-S309 VanDerWaalsContact C-N 3.34Å; F307-S309 PolarHBondContact O-N 3.2Å; S309-C311 PolarHBondContact O-N 3.09Å; S309-L312 PolarHBondContact O-N 2.6Å; S309-E313 VanDerWaalsContact O-CB 3.29Å; S309-E313 WeakPolarHBondContact O-CB 3.49Å; S309-E313 PolarHBondContact O-N 3.44Å; S309-F329 VanDerWaalsContact O-CE2 3.3Å; S309-F329 WeakPolarHBondContact O-CE2 3.35Å; S309-S332 WeakPolarHBondContact CA-OG 3.46Å; S309-S332 WeakPolarHBondContact CB-OG 3.37Å |
| 310 | K | 93.1 | Very high | 88.9 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 173.1 | -72.3 | 179.2 | 179.7 | -172.6 | 0 | 113.1 | K306 F307 L308 K314 | K306-K310 WeakPolarHBondContact O-CG 3.29Å; K306-K310 PolarHBondContact O-N 2.88Å; F307-K310 WeakPolarHBondContact O-CB 3.33Å; F307-K310 PolarHBondContact O-N 3.37Å; L308-K310 VanDerWaalsContact C-N 3.32Å; L308-K310 PolarHBondContact O-N 3.07Å; K310-K314 PolarHBondContact O-N 3.37Å |
| 311 | C | 90.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -49 | 175.5 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | Y292 F307 L308 S309 E313 K314 A315 | Y292-C311 HydrophobicContact CE1-CB 4.38Å; Y292-C311 VanDerWaalsContact CE1-O 3.26Å; Y292-C311 WeakPolarHBondContact CE1-O 3.43Å; F307-C311 PolarHBondContact O-N 3.21Å; F307-C311 PolarHBondContact O-SG 2.92Å; L308-C311 WeakPolarHBondContact O-CB 3.35Å; L308-C311 PolarHBondContact O-N 3.23Å; L308-C311 VanDerWaalsContact O-N 3.14Å; S309-C311 PolarHBondContact O-N 3.09Å; C311-E313 VanDerWaalsContact C-N 3.32Å; C311-E313 PolarHBondContact O-N 3.08Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 2.91Å; C311-A315 PolarHBondContact O-N 2.6Å |
| 312 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -32.2 | -179.8 | -71.9 | 167.3 | 0 | 0 | 0 | 112.8 | Y292 L308 S309 K314 A315 L316 I325 Q328 F329 | Y292-L312 HydrophobicContact CD1-CD2 4.09Å; Y292-L312 HydrophobicContact CG-CD2 4.27Å; L308-L312 HydrophobicContact CD1-CD1 3.78Å; L308-L312 HydrophobicContact CD1-CG 4.09Å; L308-L312 HydrophobicContact CG-CD1 3.85Å; L308-L312 PolarHBondContact O-N 3.28Å; S309-L312 PolarHBondContact O-N 2.6Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.06Å; L312-A315 WeakPolarHBondContact O-CA 3.13Å; L312-A315 VanDerWaalsContact O-CB 3.24Å; L312-A315 WeakPolarHBondContact O-CB 3.49Å; L312-A315 PolarHBondContact O-N 3.4Å; L312-L316 PolarHBondContact O-N 3.42Å; L312-I325 HydrophobicContact CD2-CG2 4.46Å; L312-Q328 HydrophobicContact CD1-CB 4.02Å; L312-Q328 HydrophobicContact CD2-CB 4.25Å; L312-F329 HydrophobicContact CB-CB 4.02Å; L312-F329 HydrophobicContact CB-CD2 3.75Å; L312-F329 HydrophobicContact CB-CG 4.28Å |
| 313 | E | 91.8 | Very high | 88.8 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 173.3 | -174 | 169.3 | -150 | 0 | 0 | 111.9 | S309 C311 A315 L316 F329 R341 | S309-E313 VanDerWaalsContact O-CB 3.29Å; S309-E313 WeakPolarHBondContact O-CB 3.49Å; S309-E313 PolarHBondContact O-N 3.44Å; C311-E313 VanDerWaalsContact C-N 3.32Å; C311-E313 PolarHBondContact O-N 3.08Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.4Å; E313-L316 WeakPolarHBondContact O-CB 3.45Å; E313-L316 PolarHBondContact O-N 3.21Å; E313-F329 HydrophobicContact CB-CE2 3.82Å; E313-F329 HydrophobicContact CB-CZ 4.03Å; E313-F329 HydrophobicContact CG-CZ 4.28Å; E313-R341 IonicContact OE1-NH2 3.92Å; E313-R341 PolarHBondContact OE1-NH2 3.08Å; E313-R341 IonicContact OE2-NH2 3.99Å |
| 314 | K | 87 | Confident | 89 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 172.7 | -65.1 | 175.9 | -176.9 | -180 | 0 | 111.9 | K310 C311 L312 L316 K317 | K310-K314 PolarHBondContact O-N 3.37Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 2.91Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 3.06Å; K314-L316 PolarHBondContact O-N 2.99Å; K314-K317 WeakPolarHBondContact O-CG 3.45Å; K314-K317 PolarHBondContact O-N 3.07Å |
| 315 | A | 88 | Confident | 89 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -23 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y292 C311 L312 E313 K317 F318 S319 I325 | Y292-A315 HydrophobicContact CD1-CB 4.14Å; Y292-A315 HydrophobicContact CD2-CB 3.95Å; Y292-A315 HydrophobicContact CE1-CB 3.81Å; Y292-A315 HydrophobicContact CE2-CB 3.67Å; Y292-A315 HydrophobicContact CG-CB 4.21Å; C311-A315 PolarHBondContact O-N 2.6Å; L312-A315 WeakPolarHBondContact O-CA 3.13Å; L312-A315 VanDerWaalsContact O-CB 3.24Å; L312-A315 WeakPolarHBondContact O-CB 3.49Å; L312-A315 PolarHBondContact O-N 3.4Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 3.4Å; A315-K317 PolarHBondContact O-N 3.32Å; A315-F318 VanDerWaalsContact CA-CZ 3.46Å; A315-F318 HydrophobicContact CB-CE1 4.46Å; A315-F318 HydrophobicContact CB-CE2 4.27Å; A315-F318 HydrophobicContact CB-CZ 3.8Å; A315-F318 PolarHBondContact O-N 3.35Å; A315-S319 VanDerWaalsContact C-OG 3.31Å; A315-S319 VanDerWaalsContact O-CB 3.32Å; A315-S319 WeakPolarHBondContact O-CB 3.46Å; A315-S319 PolarHBondContact O-N 2.97Å; A315-S319 PolarHBondContact O-OG 3.37Å; A315-I325 HydrophobicContact CB-CG2 3.8Å |
| 316 | L | 87.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.3 | 177.8 | -60.1 | -174.9 | 0 | 0 | 0 | 113.7 | L312 E313 K314 F318 S319 I325 W326 F329 | L312-L316 PolarHBondContact O-N 3.42Å; E313-L316 WeakPolarHBondContact O-CB 3.45Å; E313-L316 PolarHBondContact O-N 3.21Å; K314-L316 PolarHBondContact O-N 2.99Å; L316-F318 PolarHBondContact O-N 2.82Å; L316-S319 WeakPolarHBondContact CA-OG 3.35Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; L316-W326 HydrophobicContact CD1-CH2 3.93Å; L316-W326 HydrophobicContact CD1-CZ2 4.19Å; L316-W326 HydrophobicContact CD1-CZ3 4.16Å; L316-W326 HydrophobicContact CD2-CD2 3.87Å; L316-W326 HydrophobicContact CD2-CE3 4.28Å; L316-W326 HydrophobicContact CD2-CG 4.27Å; L316-W326 HydrophobicContact CD2-CH2 4.38Å; L316-W326 HydrophobicContact CD2-CZ2 3.98Å; L316-F329 HydrophobicContact CD1-CD1 3.8Å; L316-F329 HydrophobicContact CD1-CE1 3.65Å; L316-F329 HydrophobicContact CD1-CZ 4.27Å; L316-F329 HydrophobicContact CD2-CD1 4.47Å |
| 317 | K | 83 | Confident | 89.2 | Confident | 165 Ų | 165 | 54.8 Ų | 54.8 | 72% | 0.717 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.4 | 178.8 | -67.4 | -177.8 | 179.5 | -175.9 | 0 | 113.2 | L270 K314 A315 | L270-K317 VanDerWaalsContact CD2-O 3.25Å; L270-K317 WeakPolarHBondContact CD2-O 3.49Å; K314-K317 WeakPolarHBondContact O-CG 3.45Å; K314-K317 PolarHBondContact O-N 3.07Å; A315-K317 PolarHBondContact O-N 3.32Å |
| 318 | F | 79.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -4.9 | -176.9 | 54.3 | -99.3 | 0 | 0 | 0 | 114.3 | V268 L270 A288 Y292 A315 L316 Y320 | V268-F318 HydrophobicContact CB-CB 3.73Å; V268-F318 HydrophobicContact CB-CD1 4Å; V268-F318 HydrophobicContact CB-CD2 4.29Å; V268-F318 HydrophobicContact CB-CG 3.74Å; V268-F318 HydrophobicContact CG1-CB 3.33Å; V268-F318 HydrophobicContact CG1-CD1 4.39Å; V268-F318 HydrophobicContact CG1-CD2 3.89Å; V268-F318 HydrophobicContact CG1-CG 3.62Å; V268-F318 HydrophobicContact CG2-CB 4.25Å; V268-F318 HydrophobicContact CG2-CD1 3.73Å; V268-F318 HydrophobicContact CG2-CD2 3.91Å; V268-F318 HydrophobicContact CG2-CE1 4.03Å; V268-F318 HydrophobicContact CG2-CE2 4.2Å; V268-F318 HydrophobicContact CG2-CG 3.68Å; V268-F318 HydrophobicContact CG2-CZ 4.26Å; L270-F318 HydrophobicContact CD2-CB 3.91Å; A288-F318 HydrophobicContact CB-CE2 3.87Å; A288-F318 HydrophobicContact CB-CZ 4.16Å; Y292-F318 HydrophobicContact CE2-CE2 4.36Å; Y292-F318 AromaticContact CE2-CZ 3.62Å; Y292-F318 HydrophobicContact CE2-CZ 3.62Å; A315-F318 VanDerWaalsContact CA-CZ 3.46Å; A315-F318 HydrophobicContact CB-CE1 4.46Å; A315-F318 HydrophobicContact CB-CE2 4.27Å; A315-F318 HydrophobicContact CB-CZ 3.8Å; A315-F318 PolarHBondContact O-N 3.35Å; L316-F318 PolarHBondContact O-N 2.82Å; F318-Y320 VanDerWaalsContact C-N 3.29Å; F318-Y320 PolarHBondContact O-N 3.02Å |
| 319 | S | 77.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -94.7 | 37.9 | -179.3 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | A315 L316 H321 Q322 | A315-S319 VanDerWaalsContact C-OG 3.31Å; A315-S319 VanDerWaalsContact O-CB 3.32Å; A315-S319 WeakPolarHBondContact O-CB 3.46Å; A315-S319 PolarHBondContact O-N 2.97Å; A315-S319 PolarHBondContact O-OG 3.37Å; L316-S319 WeakPolarHBondContact CA-OG 3.35Å; S319-H321 PolarHBondContact O-N 3.38Å; S319-Q322 WeakPolarHBondContact O-CB 3.41Å; S319-Q322 PolarHBondContact O-N 3.09Å; S319-Q322 VanDerWaalsContact O-N 3.07Å | ||
| 320 | Y | 77.7 | Confident | 89.4 | Confident | 151 Ų | 151 | 52.4 Ų | 52.4 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.5 | 175.2 | -172.9 | -96 | 0 | 0 | 0 | 110.6 | R272 F318 Q322 | R272-Y320 PolarHBondContact NH2-O 3.17Å; F318-Y320 VanDerWaalsContact C-N 3.29Å; F318-Y320 PolarHBondContact O-N 3.02Å; Y320-Q322 PolarHBondContact O-N 2.76Å |
| 321 | H | 83.6 | Confident | 89.5 | Confident | 97 Ų | 97 | 48.6 Ų | 48.6 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 16.1 | -176.7 | -149.2 | -40.9 | 0 | 0 | 0 | 115.1 | S319 F323 I352 | S319-H321 PolarHBondContact O-N 3.38Å; H321-F323 PolarHBondContact O-N 3.12Å; H321-I352 PolarHBondContact CE1-O 3.46Å; H321-I352 WeakPolarHBondContact ND1-CG2 3.34Å |
| 322 | Q | 88.8 | Confident | 89.7 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 29% | 0.29 | 22% | 0.216 | S | C | . | . | trans | -97.7 | 96.9 | -177.9 | -64.4 | -69.8 | -10 | 0 | 0 | 111.3 | F285 S319 Y320 H324 I325 W326 | F285-Q322 HydrophobicContact CD2-CG 4.31Å; F285-Q322 HydrophobicContact CE1-CG 4.27Å; F285-Q322 HydrophobicContact CE2-CB 4Å; F285-Q322 HydrophobicContact CE2-CG 3.48Å; F285-Q322 VanDerWaalsContact CE2-CG 3.48Å; F285-Q322 HydrophobicContact CZ-CB 3.74Å; F285-Q322 VanDerWaalsContact CZ-CD 3.41Å; F285-Q322 HydrophobicContact CZ-CG 3.46Å; F285-Q322 VanDerWaalsContact CZ-CG 3.46Å; S319-Q322 WeakPolarHBondContact O-CB 3.41Å; S319-Q322 PolarHBondContact O-N 3.09Å; S319-Q322 VanDerWaalsContact O-N 3.07Å; Y320-Q322 PolarHBondContact O-N 2.76Å; Q322-H324 VanDerWaalsContact C-N 3.29Å; Q322-H324 PolarHBondContact O-N 2.89Å; Q322-I325 PolarHBondContact O-N 2.93Å; Q322-W326 PolarHBondContact O-N 2.55Å | ||
| 323 | F | 92.2 | Very high | 89.9 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 13% | 0.132 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.1 | -46.1 | -175.2 | 179.6 | -87.2 | 0 | 0 | 0 | 113.3 | H321 I325 W326 Y327 C349 I352 D353 K356 V359 | H321-F323 PolarHBondContact O-N 3.12Å; F323-I325 PolarHBondContact O-N 3.23Å; F323-W326 PolarHBondContact O-N 3.5Å; F323-Y327 HydrophobicContact CE1-CD1 4.23Å; F323-Y327 HydrophobicContact CE1-CD2 4.3Å; F323-Y327 AromaticContact CE1-CG 3.81Å; F323-Y327 HydrophobicContact CE1-CG 3.81Å; F323-Y327 HydrophobicContact CZ-CD2 4.02Å; F323-Y327 HydrophobicContact CZ-CG 4.01Å; F323-Y327 WeakPolarHBondContact O-CB 3.43Å; F323-Y327 PolarHBondContact O-N 3.23Å; F323-C349 HydrophobicContact CD2-CB 4.2Å; F323-C349 HydrophobicContact CE2-CB 3.75Å; F323-C349 HydrophobicContact CZ-CB 4.46Å; F323-I352 HydrophobicContact CB-CG2 3.82Å; F323-I352 HydrophobicContact CD2-CG2 4.33Å; F323-D353 HydrophobicContact CD2-CB 3.82Å; F323-D353 HydrophobicContact CE2-CB 4.32Å; F323-K356 HydrophobicContact CD1-CD 4.15Å; F323-K356 HydrophobicContact CD2-CD 4.24Å; F323-K356 HydrophobicContact CE1-CD 3.48Å; F323-K356 VanDerWaalsContact CE1-CD 3.48Å; F323-K356 VanDerWaalsContact CE1-NZ 3.31Å; F323-K356 HydrophobicContact CE2-CD 3.57Å; F323-K356 VanDerWaalsContact CG-NZ 3.28Å; F323-K356 HydrophobicContact CZ-CD 3.16Å; F323-K356 HydrophobicContact CZ-CG 4.45Å; F323-V359 HydrophobicContact CE2-CG2 3.91Å; F323-V359 HydrophobicContact CZ-CG2 3.62Å |
| 324 | H | 93.1 | Very high | 90 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.2 | -46.9 | -171.9 | -179.7 | 65.5 | 0 | 0 | 0 | 113.2 | D293 Q322 Y327 Q328 | D293-H324 IonicContact OD1-CD2 3.76Å; D293-H324 IonicContact OD1-CE1 3.86Å; D293-H324 IonicContact OD1-NE2 3.96Å; D293-H324 PolarHBondContact OD1-NE2 3.49Å; D293-H324 IonicContact OD2-NE2 3.29Å; D293-H324 PolarHBondContact OD2-NE2 2.92Å; Q322-H324 VanDerWaalsContact C-N 3.29Å; Q322-H324 PolarHBondContact O-N 2.89Å; H324-Y327 PolarHBondContact O-N 3.35Å; H324-Q328 PolarHBondContact CE1-NE2 3.08Å; H324-Q328 PolarHBondContact NE2-NE2 2.88Å; H324-Q328 VanDerWaalsContact NE2-NE2 3.13Å; H324-Q328 WeakPolarHBondContact O-CG 3.26Å; H324-Q328 PolarHBondContact O-N 3.35Å |
| 325 | I | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.1 | -40.9 | -179.1 | -67.1 | 170.6 | 0 | 0 | 0 | 110.8 | F285 L312 A315 L316 Q322 F323 Y327 Q328 F329 | F285-I325 HydrophobicContact CE2-CD1 3.53Å; F285-I325 HydrophobicContact CZ-CD1 3.7Å; L312-I325 HydrophobicContact CD2-CG2 4.46Å; A315-I325 HydrophobicContact CB-CG2 3.8Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; Q322-I325 PolarHBondContact O-N 2.93Å; F323-I325 PolarHBondContact O-N 3.23Å; I325-Y327 VanDerWaalsContact C-N 3.3Å; I325-Y327 PolarHBondContact O-N 2.93Å; I325-Q328 PolarHBondContact O-N 2.95Å; I325-F329 VanDerWaalsContact O-CB 3.32Å; I325-F329 WeakPolarHBondContact O-CB 3.44Å; I325-F329 PolarHBondContact O-N 3.28Å |
| 326 | W | 95.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 43 Ų | 43 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 174.6 | -84.7 | 96 | 0 | 0 | 0 | 112 | L316 Q322 F323 F329 A330 A345 E348 C349 I352 | L316-W326 HydrophobicContact CD1-CH2 3.93Å; L316-W326 HydrophobicContact CD1-CZ2 4.19Å; L316-W326 HydrophobicContact CD1-CZ3 4.16Å; L316-W326 HydrophobicContact CD2-CD2 3.87Å; L316-W326 HydrophobicContact CD2-CE3 4.28Å; L316-W326 HydrophobicContact CD2-CG 4.27Å; L316-W326 HydrophobicContact CD2-CH2 4.38Å; L316-W326 HydrophobicContact CD2-CZ2 3.98Å; Q322-W326 PolarHBondContact O-N 2.55Å; F323-W326 PolarHBondContact O-N 3.5Å; W326-F329 HydrophobicContact CE3-CD1 4.45Å; W326-F329 WeakPolarHBondContact O-CB 3.44Å; W326-F329 PolarHBondContact O-N 3.43Å; W326-A330 WeakPolarHBondContact O-CB 3.5Å; W326-A330 PolarHBondContact O-N 2.87Å; W326-A345 HydrophobicContact CE3-CB 4.35Å; W326-A345 HydrophobicContact CZ3-CB 4.47Å; W326-E348 HydrophobicContact CD2-CB 4.08Å; W326-E348 HydrophobicContact CE3-CB 3.63Å; W326-E348 HydrophobicContact CE3-CG 4.24Å; W326-E348 HydrophobicContact CH2-CB 4.12Å; W326-E348 HydrophobicContact CH2-CG 3.87Å; W326-E348 HydrophobicContact CZ3-CB 3.65Å; W326-E348 HydrophobicContact CZ3-CG 3.73Å; W326-C349 VanDerWaalsContact C-SG 3.52Å; W326-I352 HydrophobicContact CB-CD1 4.47Å; W326-I352 HydrophobicContact CG-CD1 4Å |
| 327 | Y | 96 | Very high | 90.6 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -44.9 | 179.5 | -172.9 | -117.5 | 0 | 0 | 0 | 111.7 | F323 H324 I325 F329 A330 L331 L346 C349 V359 F362 | F323-Y327 HydrophobicContact CE1-CD1 4.23Å; F323-Y327 HydrophobicContact CE1-CD2 4.3Å; F323-Y327 AromaticContact CE1-CG 3.81Å; F323-Y327 HydrophobicContact CE1-CG 3.81Å; F323-Y327 HydrophobicContact CZ-CD2 4.02Å; F323-Y327 HydrophobicContact CZ-CG 4.01Å; F323-Y327 WeakPolarHBondContact O-CB 3.43Å; F323-Y327 PolarHBondContact O-N 3.23Å; H324-Y327 PolarHBondContact O-N 3.35Å; I325-Y327 VanDerWaalsContact C-N 3.3Å; I325-Y327 PolarHBondContact O-N 2.93Å; Y327-F329 VanDerWaalsContact C-N 3.29Å; Y327-F329 PolarHBondContact O-N 2.96Å; Y327-A330 PolarHBondContact O-N 3.38Å; Y327-L331 HydrophobicContact CD1-CD1 4.02Å; Y327-L331 HydrophobicContact CE1-CD1 3.61Å; Y327-L331 HydrophobicContact CE1-CG 4.33Å; Y327-L331 HydrophobicContact CE2-CD2 4.47Å; Y327-L331 HydrophobicContact CE2-CG 4.41Å; Y327-L331 WeakPolarHBondContact O-CG 3.3Å; Y327-L331 PolarHBondContact O-N 3.36Å; Y327-L346 HydrophobicContact CD2-CD2 4.28Å; Y327-L346 HydrophobicContact CE2-CD2 4.29Å; Y327-C349 PolarHBondContact N-SG 2.9Å; Y327-V359 HydrophobicContact CD2-CG2 4.26Å; Y327-V359 HydrophobicContact CE2-CG2 4.12Å; Y327-F362 WeakPolarHBondContact OH-CE2 3.5Å |
| 328 | Q | 95.2 | Very high | 91.1 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 172.3 | -73 | -174.9 | -5.1 | 0 | 0 | 112.3 | D293 L312 H324 I325 L331 S332 | D293-Q328 PolarHBondContact OD1-NE2 2.93Å; D293-Q328 PolarHBondContact OD1-OE1 2.94Å; L312-Q328 HydrophobicContact CD1-CB 4.02Å; L312-Q328 HydrophobicContact CD2-CB 4.25Å; H324-Q328 PolarHBondContact CE1-NE2 3.08Å; H324-Q328 PolarHBondContact NE2-NE2 2.88Å; H324-Q328 VanDerWaalsContact NE2-NE2 3.13Å; H324-Q328 WeakPolarHBondContact O-CG 3.26Å; H324-Q328 PolarHBondContact O-N 3.35Å; I325-Q328 PolarHBondContact O-N 2.95Å; Q328-L331 PolarHBondContact O-N 3.03Å; Q328-S332 WeakPolarHBondContact O-CB 3.22Å; Q328-S332 PolarHBondContact O-N 3Å |
| 329 | F | 96.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 177.1 | 179.5 | -127.9 | 0 | 0 | 0 | 110.9 | S309 L312 E313 L316 I325 W326 Y327 L331 S332 L333 A345 | S309-F329 VanDerWaalsContact O-CE2 3.3Å; S309-F329 WeakPolarHBondContact O-CE2 3.35Å; L312-F329 HydrophobicContact CB-CB 4.02Å; L312-F329 HydrophobicContact CB-CD2 3.75Å; L312-F329 HydrophobicContact CB-CG 4.28Å; E313-F329 HydrophobicContact CB-CE2 3.82Å; E313-F329 HydrophobicContact CB-CZ 4.03Å; E313-F329 HydrophobicContact CG-CZ 4.28Å; L316-F329 HydrophobicContact CD1-CD1 3.8Å; L316-F329 HydrophobicContact CD1-CE1 3.65Å; L316-F329 HydrophobicContact CD1-CZ 4.27Å; L316-F329 HydrophobicContact CD2-CD1 4.47Å; I325-F329 VanDerWaalsContact O-CB 3.32Å; I325-F329 WeakPolarHBondContact O-CB 3.44Å; I325-F329 PolarHBondContact O-N 3.28Å; W326-F329 HydrophobicContact CE3-CD1 4.45Å; W326-F329 WeakPolarHBondContact O-CB 3.44Å; W326-F329 PolarHBondContact O-N 3.43Å; Y327-F329 VanDerWaalsContact C-N 3.29Å; Y327-F329 PolarHBondContact O-N 2.96Å; F329-L331 PolarHBondContact O-N 2.89Å; F329-S332 PolarHBondContact O-N 2.97Å; F329-S332 PolarHBondContact O-OG 3.45Å; F329-L333 HydrophobicContact CD1-CD1 3.99Å; F329-L333 HydrophobicContact CD2-CD1 4.2Å; F329-L333 HydrophobicContact CD2-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.61Å; F329-L333 HydrophobicContact CE2-CD1 3.83Å; F329-L333 HydrophobicContact CE2-CD2 4.11Å; F329-L333 HydrophobicContact CE2-CG 3.9Å; F329-L333 HydrophobicContact CG-CD1 4.29Å; F329-L333 HydrophobicContact CZ-CD1 3.55Å; F329-L333 HydrophobicContact CZ-CD2 4.27Å; F329-L333 HydrophobicContact CZ-CG 4.11Å; F329-L333 WeakPolarHBondContact O-CG 3.33Å; F329-L333 PolarHBondContact O-N 3.43Å; F329-A345 HydrophobicContact CD1-CB 4.03Å; F329-A345 HydrophobicContact CE1-CB 4.39Å |
| 330 | A | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -50.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | W326 Y327 S332 L333 I334 A345 L346 | W326-A330 WeakPolarHBondContact O-CB 3.5Å; W326-A330 PolarHBondContact O-N 2.87Å; Y327-A330 PolarHBondContact O-N 3.38Å; A330-S332 VanDerWaalsContact C-N 3.3Å; A330-S332 PolarHBondContact O-N 3.45Å; A330-L333 WeakPolarHBondContact O-CB 3.38Å; A330-L333 PolarHBondContact O-N 3.25Å; A330-L333 VanDerWaalsContact O-N 3.15Å; A330-I334 WeakPolarHBondContact O-CD1 3.39Å; A330-I334 VanDerWaalsContact O-CG1 3.25Å; A330-I334 WeakPolarHBondContact O-CG1 3.35Å; A330-I334 PolarHBondContact O-N 2.97Å; A330-A345 HydrophobicContact CB-CB 3.73Å; A330-L346 HydrophobicContact CB-CD2 3.63Å; A330-L346 HydrophobicContact CB-CG 3.88Å |
| 331 | L | 95.8 | Very high | 93.5 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.7 | -38.4 | 177.7 | -67.4 | 178.2 | 0 | 0 | 0 | 112.5 | Y327 Q328 F329 I334 S335 F362 | Y327-L331 HydrophobicContact CD1-CD1 4.02Å; Y327-L331 HydrophobicContact CE1-CD1 3.61Å; Y327-L331 HydrophobicContact CE1-CG 4.33Å; Y327-L331 HydrophobicContact CE2-CD2 4.47Å; Y327-L331 HydrophobicContact CE2-CG 4.41Å; Y327-L331 WeakPolarHBondContact O-CG 3.3Å; Y327-L331 PolarHBondContact O-N 3.36Å; Q328-L331 PolarHBondContact O-N 3.03Å; F329-L331 PolarHBondContact O-N 2.89Å; L331-I334 PolarHBondContact O-N 3.12Å; L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 3.08Å; L331-S335 PolarHBondContact O-OG 3.45Å; L331-F362 HydrophobicContact CD2-CE2 4.43Å; L331-F362 HydrophobicContact CD2-CZ 4.35Å |
| 332 | S | 95.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 176.5 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | S309 Q328 F329 A330 S336 | S309-S332 WeakPolarHBondContact CA-OG 3.46Å; S309-S332 WeakPolarHBondContact CB-OG 3.37Å; Q328-S332 WeakPolarHBondContact O-CB 3.22Å; Q328-S332 PolarHBondContact O-N 3Å; F329-S332 PolarHBondContact O-N 2.97Å; F329-S332 PolarHBondContact O-OG 3.45Å; A330-S332 VanDerWaalsContact C-N 3.3Å; A330-S332 PolarHBondContact O-N 3.45Å; S332-S336 WeakPolarHBondContact O-CB 3.49Å; S332-S336 PolarHBondContact O-N 3.3Å; S332-S336 PolarHBondContact O-OG 2.79Å |
| 333 | L | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.7 | -73.8 | 169.5 | 0 | 0 | 0 | 111 | F329 A330 S336 K337 Q338 R341 A345 | F329-L333 HydrophobicContact CD1-CD1 3.99Å; F329-L333 HydrophobicContact CD2-CD1 4.2Å; F329-L333 HydrophobicContact CD2-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.61Å; F329-L333 HydrophobicContact CE2-CD1 3.83Å; F329-L333 HydrophobicContact CE2-CD2 4.11Å; F329-L333 HydrophobicContact CE2-CG 3.9Å; F329-L333 HydrophobicContact CG-CD1 4.29Å; F329-L333 HydrophobicContact CZ-CD1 3.55Å; F329-L333 HydrophobicContact CZ-CD2 4.27Å; F329-L333 HydrophobicContact CZ-CG 4.11Å; F329-L333 WeakPolarHBondContact O-CG 3.33Å; F329-L333 PolarHBondContact O-N 3.43Å; A330-L333 WeakPolarHBondContact O-CB 3.38Å; A330-L333 PolarHBondContact O-N 3.25Å; A330-L333 VanDerWaalsContact O-N 3.15Å; L333-S336 WeakPolarHBondContact CA-OG 3.5Å; L333-S336 CarbonylContact O-C 3.56Å; L333-S336 WeakPolarHBondContact O-CA 3.47Å; L333-S336 PolarHBondContact O-N 2.85Å; L333-S336 VanDerWaalsContact O-N 3.08Å; L333-S336 PolarHBondContact O-OG 2.54Å; L333-K337 PolarHBondContact O-N 3.43Å; L333-Q338 HydrophobicContact CB-CB 4.45Å; L333-Q338 HydrophobicContact CD2-CB 4.13Å; L333-Q338 PolarHBondContact O-N 3.31Å; L333-R341 HydrophobicContact CD1-CB 3.91Å; L333-R341 HydrophobicContact CD2-CB 4.18Å; L333-A345 HydrophobicContact CD1-CB 4.15Å |
| 334 | I | 94.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 175.9 | -64.2 | 162.3 | 0 | 0 | 0 | 110.2 | A330 L331 S336 K337 L346 L366 C807 | A330-I334 WeakPolarHBondContact O-CD1 3.39Å; A330-I334 VanDerWaalsContact O-CG1 3.25Å; A330-I334 WeakPolarHBondContact O-CG1 3.35Å; A330-I334 PolarHBondContact O-N 2.97Å; L331-I334 PolarHBondContact O-N 3.12Å; I334-S336 PolarHBondContact O-N 2.78Å; I334-S336 VanDerWaalsContact O-N 3.16Å; I334-K337 WeakPolarHBondContact O-CA 3.45Å; I334-K337 PolarHBondContact O-N 2.56Å; I334-L346 HydrophobicContact CD1-CD1 4.09Å; I334-L366 HydrophobicContact CD1-CD1 3.71Å; I334-L366 HydrophobicContact CG1-CD1 3.74Å; I334-L366 HydrophobicContact CG1-CD2 4.27Å; I334-L366 HydrophobicContact CG2-CD2 4.14Å; I334-C807 HydrophobicContact CG2-CB 4.31Å |
| 335 | S | 92.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 38 Ų | 38 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.1 | -25.5 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | F305 L331 K337 | F305-S335 VanDerWaalsContact CD1-CB 3.4Å; F305-S335 VanDerWaalsContact CD2-O 3.29Å; F305-S335 WeakPolarHBondContact CD2-O 3.33Å; L331-S335 WeakPolarHBondContact O-CB 3.38Å; L331-S335 PolarHBondContact O-N 3.08Å; L331-S335 PolarHBondContact O-OG 3.45Å; S335-K337 VanDerWaalsContact C-N 3.29Å |
| 336 | S | 92 | Very high | 95.1 | Very high | 14 Ų | 14 | 38 Ų | 38 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.3 | 173.8 | 81.3 | 0 | 0 | 0 | 0 | 114.2 | S332 L333 I334 Q338 | S332-S336 WeakPolarHBondContact O-CB 3.49Å; S332-S336 PolarHBondContact O-N 3.3Å; S332-S336 PolarHBondContact O-OG 2.79Å; L333-S336 WeakPolarHBondContact CA-OG 3.5Å; L333-S336 CarbonylContact O-C 3.56Å; L333-S336 WeakPolarHBondContact O-CA 3.47Å; L333-S336 PolarHBondContact O-N 2.85Å; L333-S336 VanDerWaalsContact O-N 3.08Å; L333-S336 PolarHBondContact O-OG 2.54Å; I334-S336 PolarHBondContact O-N 2.78Å; I334-S336 VanDerWaalsContact O-N 3.16Å; S336-Q338 PolarHBondContact O-N 2.87Å; S336-Q338 PolarHBondContact OG-NE2 2.92Å |
| 337 | K | 91.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 40.7 Ų | 40.7 | 46% | 0.461 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 23.4 | -175 | -52.2 | -172.3 | -179.1 | -171.5 | 0 | 115.1 | L333 I334 S335 Y339 | L333-K337 PolarHBondContact O-N 3.43Å; I334-K337 WeakPolarHBondContact O-CA 3.45Å; I334-K337 PolarHBondContact O-N 2.56Å; S335-K337 VanDerWaalsContact C-N 3.29Å; K337-Y339 HydrophobicContact CB-CE1 4.36Å; K337-Y339 HydrophobicContact CB-CE2 4.3Å; K337-Y339 PolarHBondContact O-N 3.15Å |
| 338 | Q | 93.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | trans | -89.8 | 62.2 | 172.2 | -69.8 | 176.9 | 68.8 | 0 | 0 | 109.1 | L333 S336 Y340 R341 G342 | L333-Q338 HydrophobicContact CB-CB 4.45Å; L333-Q338 HydrophobicContact CD2-CB 4.13Å; L333-Q338 PolarHBondContact O-N 3.31Å; S336-Q338 PolarHBondContact O-N 2.87Å; S336-Q338 PolarHBondContact OG-NE2 2.92Å; Q338-Y340 PolarHBondContact O-N 3.2Å; Q338-R341 HydrophobicContact CB-CB 4.38Å; Q338-R341 PolarHBondContact O-N 3.14Å; Q338-G342 PolarHBondContact O-N 3.36Å | ||
| 339 | Y | 94.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 40 Ų | 40 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | -166.7 | -57.5 | -52.5 | 0 | 0 | 0 | 113.4 | K337 R341 G342 Y343 L366 H370 | K337-Y339 HydrophobicContact CB-CE1 4.36Å; K337-Y339 HydrophobicContact CB-CE2 4.3Å; K337-Y339 PolarHBondContact O-N 3.15Å; Y339-R341 PolarHBondContact O-N 3.19Å; Y339-G342 PolarHBondContact O-N 3.34Å; Y339-Y343 WeakPolarHBondContact O-CB 3.48Å; Y339-Y343 PolarHBondContact O-N 3.11Å; Y339-L366 HydrophobicContact CD1-CD2 3.69Å; Y339-L366 HydrophobicContact CE1-CD2 4.45Å; Y339-L366 HydrophobicContact CG-CD2 4.29Å; Y339-H370 HydrophobicContact CD1-CB 4.5Å; Y339-H370 HydrophobicContact CD2-CB 3.54Å; Y339-H370 AromaticContact CD2-CG 3.7Å; Y339-H370 AromaticContact CD2-ND1 3.89Å; Y339-H370 AromaticContact CE1-CD2 3.96Å; Y339-H370 AromaticContact CE1-NE2 3.9Å; Y339-H370 HydrophobicContact CE2-CB 3.93Å; Y339-H370 AromaticContact CE2-CE1 3.76Å; Y339-H370 AromaticContact CE2-CG 3.58Å; Y339-H370 AromaticContact CE2-ND1 3.29Å; Y339-H370 VanDerWaalsContact CE2-ND1 3.29Å; Y339-H370 WeakPolarHBondContact CE2-ND1 3.32Å; Y339-H370 HydrophobicContact CG-CB 3.84Å; Y339-H370 AromaticContact CZ-CD2 3.96Å; Y339-H370 AromaticContact CZ-CE1 3.48Å; Y339-H370 VanDerWaalsContact CZ-CE1 3.48Å; Y339-H370 AromaticContact CZ-CG 3.83Å; Y339-H370 AromaticContact CZ-ND1 3.52Å; Y339-H370 AromaticContact CZ-NE2 3.73Å; Y339-H370 PolarHBondContact OH-CE1 3.1Å; Y339-H370 VanDerWaalsContact OH-CE1 3.3Å |
| 340 | Y | 95.6 | Very high | 95.3 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -43 | -179.3 | -176.2 | -108 | 0 | 0 | 0 | 111.9 | Q338 G342 Y343 L344 L371 | Q338-Y340 PolarHBondContact O-N 3.2Å; Y340-G342 VanDerWaalsContact C-N 3.34Å; Y340-G342 PolarHBondContact O-N 3.18Å; Y340-Y343 HydrophobicContact CD2-CD1 4.46Å; Y340-Y343 HydrophobicContact CE2-CD1 4.46Å; Y340-Y343 WeakPolarHBondContact O-CB 3.19Å; Y340-Y343 PolarHBondContact O-N 3.48Å; Y340-L344 HydrophobicContact CD1-CD1 4.14Å; Y340-L344 HydrophobicContact CE1-CD1 3.66Å; Y340-L344 HydrophobicContact CE1-CG 4.27Å; Y340-L344 WeakPolarHBondContact O-CG 3.22Å; Y340-L344 PolarHBondContact O-N 2.95Å; Y340-L371 HydrophobicContact CD2-CD1 4.42Å; Y340-L371 HydrophobicContact CD2-CD2 4.42Å |
| 341 | R | 96.5 | Very high | 95.2 | Very high | 102 Ų | 102 | 46 Ų | 46 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.2 | -63.4 | -175 | 74 | -171.6 | 5.3 | 111.3 | E313 L333 Q338 Y339 Y343 L344 A345 | E313-R341 IonicContact OE1-NH2 3.92Å; E313-R341 PolarHBondContact OE1-NH2 3.08Å; E313-R341 IonicContact OE2-NH2 3.99Å; L333-R341 HydrophobicContact CD1-CB 3.91Å; L333-R341 HydrophobicContact CD2-CB 4.18Å; Q338-R341 HydrophobicContact CB-CB 4.38Å; Q338-R341 PolarHBondContact O-N 3.14Å; Y339-R341 PolarHBondContact O-N 3.19Å; R341-Y343 VanDerWaalsContact C-N 3.33Å; R341-L344 PolarHBondContact O-N 2.84Å; R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 2.94Å |
| 342 | G | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q338 Y339 Y340 A345 L346 | Q338-G342 PolarHBondContact O-N 3.36Å; Y339-G342 PolarHBondContact O-N 3.34Å; Y340-G342 VanDerWaalsContact C-N 3.34Å; Y340-G342 PolarHBondContact O-N 3.18Å; G342-A345 PolarHBondContact O-N 3.01Å; G342-L346 WeakPolarHBondContact O-CG 3.36Å; G342-L346 PolarHBondContact O-N 3.03Å |
| 343 | Y | 96.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 6% | 0.055 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 174.1 | 165.9 | -115 | 0 | 0 | 0 | 112.4 | Y339 Y340 R341 A345 L346 R347 A363 C367 L371 L373 E376 L380 | Y339-Y343 WeakPolarHBondContact O-CB 3.48Å; Y339-Y343 PolarHBondContact O-N 3.11Å; Y340-Y343 HydrophobicContact CD2-CD1 4.46Å; Y340-Y343 HydrophobicContact CE2-CD1 4.46Å; Y340-Y343 WeakPolarHBondContact O-CB 3.19Å; Y340-Y343 PolarHBondContact O-N 3.48Å; R341-Y343 VanDerWaalsContact C-N 3.33Å; Y343-A345 VanDerWaalsContact C-N 3.29Å; Y343-A345 PolarHBondContact O-N 3.19Å; Y343-L346 WeakPolarHBondContact O-CB 3.46Å; Y343-L346 PolarHBondContact O-N 3.29Å; Y343-L346 VanDerWaalsContact O-N 3.08Å; Y343-R347 HydrophobicContact CD2-CG 4.28Å; Y343-R347 HydrophobicContact CE1-CG 4.36Å; Y343-R347 HydrophobicContact CE2-CG 3.73Å; Y343-R347 PolarHBondContact O-N 3.4Å; Y343-A363 HydrophobicContact CD2-CB 4.3Å; Y343-C367 WeakPolarHBondContact CE2-SG 3.14Å; Y343-L371 HydrophobicContact CD1-CD1 4.19Å; Y343-L371 HydrophobicContact CG-CD1 3.98Å; Y343-L373 HydrophobicContact CD1-CD1 4.47Å; Y343-L373 HydrophobicContact CE1-CD1 4.2Å; Y343-E376 VanDerWaalsContact CZ-OE2 3.27Å; Y343-E376 PolarHBondContact OH-OE2 2.98Å; Y343-L380 HydrophobicContact CE2-CD1 3.93Å |
| 344 | L | 96.9 | Very high | 95 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 176.6 | -66.8 | 178.4 | 0 | 0 | 0 | 112.2 | Y340 R341 L346 R347 E348 | Y340-L344 HydrophobicContact CD1-CD1 4.14Å; Y340-L344 HydrophobicContact CE1-CD1 3.66Å; Y340-L344 HydrophobicContact CE1-CG 4.27Å; Y340-L344 WeakPolarHBondContact O-CG 3.22Å; Y340-L344 PolarHBondContact O-N 2.95Å; R341-L344 PolarHBondContact O-N 2.84Å; L344-L346 VanDerWaalsContact C-N 3.35Å; L344-L346 PolarHBondContact O-N 3.35Å; L344-R347 WeakPolarHBondContact O-CB 3.43Å; L344-R347 PolarHBondContact O-N 2.96Å; L344-E348 PolarHBondContact O-N 3Å; L344-E348 VanDerWaalsContact O-N 3.12Å |
| 345 | A | 96 | Very high | 94.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W326 F329 A330 L333 R341 G342 Y343 E348 C349 | W326-A345 HydrophobicContact CE3-CB 4.35Å; W326-A345 HydrophobicContact CZ3-CB 4.47Å; F329-A345 HydrophobicContact CD1-CB 4.03Å; F329-A345 HydrophobicContact CE1-CB 4.39Å; A330-A345 HydrophobicContact CB-CB 3.73Å; L333-A345 HydrophobicContact CD1-CB 4.15Å; R341-A345 WeakPolarHBondContact O-CB 3.32Å; R341-A345 PolarHBondContact O-N 2.94Å; G342-A345 PolarHBondContact O-N 3.01Å; Y343-A345 VanDerWaalsContact C-N 3.29Å; Y343-A345 PolarHBondContact O-N 3.19Å; A345-E348 PolarHBondContact O-N 3.03Å; A345-C349 PolarHBondContact O-N 2.76Å; A345-C349 PolarHBondContact O-SG 3.49Å |
| 346 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -35.4 | 172.2 | -67.5 | 173.5 | 0 | 0 | 0 | 112.1 | Y327 A330 I334 G342 Y343 L344 E348 C349 L350 V359 F362 A363 L366 | Y327-L346 HydrophobicContact CD2-CD2 4.28Å; Y327-L346 HydrophobicContact CE2-CD2 4.29Å; A330-L346 HydrophobicContact CB-CD2 3.63Å; A330-L346 HydrophobicContact CB-CG 3.88Å; I334-L346 HydrophobicContact CD1-CD1 4.09Å; G342-L346 WeakPolarHBondContact O-CG 3.36Å; G342-L346 PolarHBondContact O-N 3.03Å; Y343-L346 WeakPolarHBondContact O-CB 3.46Å; Y343-L346 PolarHBondContact O-N 3.29Å; Y343-L346 VanDerWaalsContact O-N 3.08Å; L344-L346 VanDerWaalsContact C-N 3.35Å; L344-L346 PolarHBondContact O-N 3.35Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 2.59Å; L346-C349 WeakPolarHBondContact O-CA 3.48Å; L346-C349 VanDerWaalsContact O-CB 3.28Å; L346-C349 WeakPolarHBondContact O-CB 3.08Å; L346-C349 PolarHBondContact O-N 3.03Å; L346-C349 VanDerWaalsContact O-N 3.1Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.24Å; L346-V359 HydrophobicContact CB-CG1 4.16Å; L346-V359 HydrophobicContact CD2-CG1 3.94Å; L346-F362 HydrophobicContact CD1-CB 3.77Å; L346-A363 HydrophobicContact CB-CB 4.18Å; L346-A363 HydrophobicContact CD1-CB 3.91Å; L346-L366 HydrophobicContact CD1-CD1 3.82Å |
| 347 | R | 96.8 | Very high | 95 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 173.3 | -68.9 | -69.7 | -66.2 | 179.9 | -5.6 | 111.5 | Y343 L344 C349 L350 R351 | Y343-R347 HydrophobicContact CD2-CG 4.28Å; Y343-R347 HydrophobicContact CE1-CG 4.36Å; Y343-R347 HydrophobicContact CE2-CG 3.73Å; Y343-R347 PolarHBondContact O-N 3.4Å; L344-R347 WeakPolarHBondContact O-CB 3.43Å; L344-R347 PolarHBondContact O-N 2.96Å; R347-C349 VanDerWaalsContact C-N 3.34Å; R347-L350 PolarHBondContact O-N 3.05Å; R347-R351 PolarHBondContact O-N 2.94Å |
| 348 | E | 95.2 | Very high | 95 | Very high | 63 Ų | 63 | 52 Ų | 52 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 171.5 | -73.8 | -59.3 | 134 | 0 | 0 | 112.4 | W326 L344 A345 L346 L350 R351 I352 | W326-E348 HydrophobicContact CD2-CB 4.08Å; W326-E348 HydrophobicContact CE3-CB 3.63Å; W326-E348 HydrophobicContact CE3-CG 4.24Å; W326-E348 HydrophobicContact CH2-CB 4.12Å; W326-E348 HydrophobicContact CH2-CG 3.87Å; W326-E348 HydrophobicContact CZ3-CB 3.65Å; W326-E348 HydrophobicContact CZ3-CG 3.73Å; L344-E348 PolarHBondContact O-N 3Å; L344-E348 VanDerWaalsContact O-N 3.12Å; A345-E348 PolarHBondContact O-N 3.03Å; L346-E348 VanDerWaalsContact C-N 3.31Å; L346-E348 PolarHBondContact O-N 2.59Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.29Å; E348-R351 PolarHBondContact O-N 3.29Å; E348-R351 IonicContact OE1-NE 3.14Å; E348-R351 IonicContact OE2-CZ 3.17Å; E348-R351 VanDerWaalsContact OE2-CZ 3.23Å; E348-R351 IonicContact OE2-NE 2.78Å; E348-R351 PolarHBondContact OE2-NE 2.91Å; E348-R351 IonicContact OE2-NH2 3.42Å; E348-R351 PolarHBondContact OE2-NH2 3.47Å; E348-I352 WeakPolarHBondContact O-CG1 3.41Å; E348-I352 PolarHBondContact O-N 3.23Å |
| 349 | C | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | F323 W326 Y327 A345 L346 R347 I352 D353 V359 | F323-C349 HydrophobicContact CD2-CB 4.2Å; F323-C349 HydrophobicContact CE2-CB 3.75Å; F323-C349 HydrophobicContact CZ-CB 4.46Å; W326-C349 VanDerWaalsContact C-SG 3.52Å; Y327-C349 PolarHBondContact N-SG 2.9Å; A345-C349 PolarHBondContact O-N 2.76Å; A345-C349 PolarHBondContact O-SG 3.49Å; L346-C349 WeakPolarHBondContact O-CA 3.48Å; L346-C349 VanDerWaalsContact O-CB 3.28Å; L346-C349 WeakPolarHBondContact O-CB 3.08Å; L346-C349 PolarHBondContact O-N 3.03Å; L346-C349 VanDerWaalsContact O-N 3.1Å; R347-C349 VanDerWaalsContact C-N 3.34Å; C349-I352 PolarHBondContact O-N 2.94Å; C349-D353 PolarHBondContact O-N 3.08Å; C349-V359 HydrophobicContact CB-CG1 3.89Å |
| 350 | L | 96.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 177.4 | -68.7 | 178.7 | 0 | 0 | 0 | 112.8 | L346 R347 E348 I352 D353 N354 V359 Y360 L380 | L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 3.24Å; R347-L350 PolarHBondContact O-N 3.05Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.29Å; L350-I352 VanDerWaalsContact C-N 3.28Å; L350-I352 PolarHBondContact O-N 3.1Å; L350-D353 CarbonylContact O-C 3.59Å; L350-N354 PolarHBondContact O-N 3.35Å; L350-V359 HydrophobicContact CD1-CG1 4.43Å; L350-V359 HydrophobicContact CD2-CB 3.68Å; L350-V359 HydrophobicContact CD2-CG1 3.49Å; L350-V359 VanDerWaalsContact CD2-CG1 3.49Å; L350-V359 HydrophobicContact CG-CB 4.35Å; L350-V359 HydrophobicContact CG-CG1 3.6Å; L350-Y360 HydrophobicContact CD1-CD1 3.99Å; L350-Y360 HydrophobicContact CD1-CE1 3.92Å; L350-Y360 HydrophobicContact CD1-CG 4.49Å; L350-Y360 HydrophobicContact CD2-CD1 4.15Å; L350-Y360 HydrophobicContact CD2-CD2 3.67Å; L350-Y360 HydrophobicContact CD2-CE1 3.91Å; L350-Y360 HydrophobicContact CD2-CE2 3.41Å; L350-Y360 VanDerWaalsContact CD2-CE2 3.41Å; L350-Y360 HydrophobicContact CD2-CG 4.03Å; L350-L380 HydrophobicContact CD1-CD2 3.79Å |
| 351 | R | 95.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 42.7 Ų | 42.7 | 46% | 0.464 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 173.9 | -170.2 | -173.4 | 63.3 | 70.4 | 2.3 | 111.6 | R347 E348 | R347-R351 PolarHBondContact O-N 2.94Å; E348-R351 PolarHBondContact O-N 3.29Å; E348-R351 IonicContact OE1-NE 3.14Å; E348-R351 IonicContact OE2-CZ 3.17Å; E348-R351 VanDerWaalsContact OE2-CZ 3.23Å; E348-R351 IonicContact OE2-NE 2.78Å; E348-R351 PolarHBondContact OE2-NE 2.91Å; E348-R351 IonicContact OE2-NH2 3.42Å; E348-R351 PolarHBondContact OE2-NH2 3.47Å |
| 352 | I | 94.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 41 Ų | 41 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -75.1 | -46.5 | 178.1 | -72.8 | 168.1 | 0 | 0 | 0 | 111.3 | H321 F323 W326 E348 C349 L350 | H321-I352 PolarHBondContact CE1-O 3.46Å; H321-I352 WeakPolarHBondContact ND1-CG2 3.34Å; F323-I352 HydrophobicContact CB-CG2 3.82Å; F323-I352 HydrophobicContact CD2-CG2 4.33Å; W326-I352 HydrophobicContact CB-CD1 4.47Å; W326-I352 HydrophobicContact CG-CD1 4Å; E348-I352 WeakPolarHBondContact O-CG1 3.41Å; E348-I352 PolarHBondContact O-N 3.23Å; C349-I352 PolarHBondContact O-N 2.94Å; L350-I352 VanDerWaalsContact C-N 3.28Å; L350-I352 PolarHBondContact O-N 3.1Å |
| 353 | D | 93.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | trans | -149.9 | 106.6 | -176.4 | -179.8 | 4.7 | 0 | 0 | 0 | 109.9 | F323 C349 L350 S355 K356 | F323-D353 HydrophobicContact CD2-CB 3.82Å; F323-D353 HydrophobicContact CE2-CB 4.32Å; C349-D353 PolarHBondContact O-N 3.08Å; L350-D353 CarbonylContact O-C 3.59Å; D353-S355 WeakPolarHBondContact OD1-CB 3.42Å; D353-S355 PolarHBondContact OD1-N 2.63Å; D353-S355 PolarHBondContact OD1-OG 3.39Å; D353-K356 WeakPolarHBondContact OD2-CD 2.94Å; D353-K356 WeakPolarHBondContact OD2-CE 3.38Å; D353-K356 IonicContact OD2-NZ 3.77Å; D353-K356 PolarHBondContact OD2-NZ 3.12Å | ||
| 354 | N | 93.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 57% | 0.567 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.1 | -178.5 | 66.6 | -5.3 | 0 | 0 | 0 | 113.3 | L350 Y360 | L350-N354 PolarHBondContact O-N 3.35Å; N354-Y360 WeakPolarHBondContact CB-OH 3.34Å; N354-Y360 WeakPolarHBondContact O-CE2 3.35Å; N354-Y360 PolarHBondContact O-OH 3.36Å |
| 355 | S | 92.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 52% | 0.524 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -15.2 | -179.5 | 70 | 0 | 0 | 0 | 0 | 113.4 | D353 T357 V387 | D353-S355 WeakPolarHBondContact OD1-CB 3.42Å; D353-S355 PolarHBondContact OD1-N 2.63Å; D353-S355 PolarHBondContact OD1-OG 3.39Å; S355-T357 PolarHBondContact O-N 3.46Å; S355-V387 VanDerWaalsContact O-CG1 3.26Å; S355-V387 WeakPolarHBondContact O-CG1 3.3Å |
| 356 | K | 92.3 | Very high | 95 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 30% | 0.3 | 18% | 0.178 | S | C | . | . | trans | -90.9 | 99.6 | -170.9 | -71.8 | 175.2 | 175.7 | 131.9 | 0 | 112.7 | F323 D353 S358 V359 Y360 | F323-K356 HydrophobicContact CD1-CD 4.15Å; F323-K356 HydrophobicContact CD2-CD 4.24Å; F323-K356 HydrophobicContact CE1-CD 3.48Å; F323-K356 VanDerWaalsContact CE1-CD 3.48Å; F323-K356 VanDerWaalsContact CE1-NZ 3.31Å; F323-K356 HydrophobicContact CE2-CD 3.57Å; F323-K356 VanDerWaalsContact CG-NZ 3.28Å; F323-K356 HydrophobicContact CZ-CD 3.16Å; F323-K356 HydrophobicContact CZ-CG 4.45Å; D353-K356 WeakPolarHBondContact OD2-CD 2.94Å; D353-K356 WeakPolarHBondContact OD2-CE 3.38Å; D353-K356 IonicContact OD2-NZ 3.77Å; D353-K356 PolarHBondContact OD2-NZ 3.12Å; K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.14Å; K356-V359 HydrophobicContact CB-CG2 3.88Å; K356-V359 PolarHBondContact O-N 3.03Å; K356-V359 VanDerWaalsContact O-N 3.15Å; K356-Y360 WeakPolarHBondContact O-CD2 3.47Å | ||
| 357 | T | 93.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.2 | -39.3 | 178.9 | -45.8 | 0 | 0 | 0 | 0 | 113.7 | S355 V359 Y360 L361 A384 F395 | S355-T357 PolarHBondContact O-N 3.46Å; T357-V359 PolarHBondContact O-N 3.32Å; T357-Y360 WeakPolarHBondContact O-CB 3.45Å; T357-Y360 PolarHBondContact O-N 3.04Å; T357-Y360 VanDerWaalsContact O-N 3.08Å; T357-L361 HydrophobicContact CG2-CD1 4.34Å; T357-L361 HydrophobicContact CG2-CG 4.29Å; T357-L361 WeakPolarHBondContact O-CG 3.35Å; T357-L361 PolarHBondContact O-N 3.09Å; T357-L361 VanDerWaalsContact O-N 3.11Å; T357-A384 HydrophobicContact CG2-CB 4.28Å; T357-F395 HydrophobicContact CG2-CB 3.88Å; T357-F395 HydrophobicContact CG2-CG 4.45Å |
| 358 | S | 92.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 32 Ų | 32 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.3 | -34.6 | -178.2 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | K356 L361 F362 | K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.14Å; S358-L361 PolarHBondContact O-N 2.97Å; S358-F362 WeakPolarHBondContact O-CD2 3.15Å; S358-F362 PolarHBondContact O-N 3.02Å |
| 359 | V | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 178.9 | -174 | 0 | 0 | 0 | 0 | 110.7 | F323 Y327 L346 C349 L350 K356 T357 F362 A363 | F323-V359 HydrophobicContact CE2-CG2 3.91Å; F323-V359 HydrophobicContact CZ-CG2 3.62Å; Y327-V359 HydrophobicContact CD2-CG2 4.26Å; Y327-V359 HydrophobicContact CE2-CG2 4.12Å; L346-V359 HydrophobicContact CB-CG1 4.16Å; L346-V359 HydrophobicContact CD2-CG1 3.94Å; C349-V359 HydrophobicContact CB-CG1 3.89Å; L350-V359 HydrophobicContact CD1-CG1 4.43Å; L350-V359 HydrophobicContact CD2-CB 3.68Å; L350-V359 HydrophobicContact CD2-CG1 3.49Å; L350-V359 VanDerWaalsContact CD2-CG1 3.49Å; L350-V359 HydrophobicContact CG-CB 4.35Å; L350-V359 HydrophobicContact CG-CG1 3.6Å; K356-V359 HydrophobicContact CB-CG2 3.88Å; K356-V359 PolarHBondContact O-N 3.03Å; K356-V359 VanDerWaalsContact O-N 3.15Å; T357-V359 PolarHBondContact O-N 3.32Å; V359-F362 PolarHBondContact O-N 3.39Å; V359-A363 WeakPolarHBondContact O-CB 3.07Å; V359-A363 PolarHBondContact O-N 3.39Å |
| 360 | Y | 96.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.7 | -66.3 | -90 | 0 | 0 | 0 | 111.9 | L350 N354 K356 T357 F362 A363 S364 L380 Q383 A384 V387 | L350-Y360 HydrophobicContact CD1-CD1 3.99Å; L350-Y360 HydrophobicContact CD1-CE1 3.92Å; L350-Y360 HydrophobicContact CD1-CG 4.49Å; L350-Y360 HydrophobicContact CD2-CD1 4.15Å; L350-Y360 HydrophobicContact CD2-CD2 3.67Å; L350-Y360 HydrophobicContact CD2-CE1 3.91Å; L350-Y360 HydrophobicContact CD2-CE2 3.41Å; L350-Y360 VanDerWaalsContact CD2-CE2 3.41Å; L350-Y360 HydrophobicContact CD2-CG 4.03Å; N354-Y360 WeakPolarHBondContact CB-OH 3.34Å; N354-Y360 WeakPolarHBondContact O-CE2 3.35Å; N354-Y360 PolarHBondContact O-OH 3.36Å; K356-Y360 WeakPolarHBondContact O-CD2 3.47Å; T357-Y360 WeakPolarHBondContact O-CB 3.45Å; T357-Y360 PolarHBondContact O-N 3.04Å; T357-Y360 VanDerWaalsContact O-N 3.08Å; Y360-F362 PolarHBondContact O-N 3.3Å; Y360-A363 PolarHBondContact O-N 2.78Å; Y360-S364 WeakPolarHBondContact O-CB 3.48Å; Y360-S364 PolarHBondContact O-N 2.94Å; Y360-L380 HydrophobicContact CD1-CD2 3.97Å; Y360-L380 HydrophobicContact CE1-CD2 4.41Å; Y360-Q383 HydrophobicContact CD1-CB 3.84Å; Y360-Q383 HydrophobicContact CE1-CB 3.65Å; Y360-A384 HydrophobicContact CG-CB 4.31Å; Y360-V387 HydrophobicContact CE2-CB 4.43Å; Y360-V387 HydrophobicContact CE2-CG1 4.41Å; Y360-V387 HydrophobicContact CE2-CG2 3.93Å |
| 361 | L | 94.8 | Very high | 94 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 179 | -62 | 177.8 | 0 | 0 | 0 | 111.6 | T357 S358 S365 A384 F395 R398 A399 L402 | T357-L361 HydrophobicContact CG2-CD1 4.34Å; T357-L361 HydrophobicContact CG2-CG 4.29Å; T357-L361 WeakPolarHBondContact O-CG 3.35Å; T357-L361 PolarHBondContact O-N 3.09Å; T357-L361 VanDerWaalsContact O-N 3.11Å; S358-L361 PolarHBondContact O-N 2.97Å; L361-S365 WeakPolarHBondContact O-CB 3.39Å; L361-S365 PolarHBondContact O-N 3.32Å; L361-A384 HydrophobicContact CD2-CB 4.05Å; L361-F395 HydrophobicContact CD1-CB 4.44Å; L361-F395 HydrophobicContact CD1-CD1 3.64Å; L361-F395 HydrophobicContact CD1-CE1 4.38Å; L361-F395 HydrophobicContact CD1-CG 4.43Å; L361-R398 HydrophobicContact CD1-CB 4.16Å; L361-R398 HydrophobicContact CD1-CG 4.21Å; L361-R398 HydrophobicContact CD2-CB 4.37Å; L361-R398 HydrophobicContact CD2-CG 4.45Å; L361-A399 HydrophobicContact CD2-CB 3.97Å; L361-L402 HydrophobicContact CB-CD1 4.2Å; L361-L402 HydrophobicContact CD2-CD1 3.63Å |
| 362 | F | 94.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 33 Ų | 33 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175 | -82.9 | -66.3 | 0 | 0 | 0 | 111.9 | Y327 L331 L346 S358 V359 Y360 S365 L366 C807 | Y327-F362 WeakPolarHBondContact OH-CE2 3.5Å; L331-F362 HydrophobicContact CD2-CE2 4.43Å; L331-F362 HydrophobicContact CD2-CZ 4.35Å; L346-F362 HydrophobicContact CD1-CB 3.77Å; S358-F362 WeakPolarHBondContact O-CD2 3.15Å; S358-F362 PolarHBondContact O-N 3.02Å; V359-F362 PolarHBondContact O-N 3.39Å; Y360-F362 PolarHBondContact O-N 3.3Å; F362-S365 PolarHBondContact O-N 3.28Å; F362-L366 VanDerWaalsContact O-CG 3.32Å; F362-L366 WeakPolarHBondContact O-CG 3.29Å; F362-L366 PolarHBondContact O-N 3.17Å; F362-C807 WeakPolarHBondContact CD1-SG 3.29Å |
| 363 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y343 L346 V359 Y360 L366 C367 L380 | Y343-A363 HydrophobicContact CD2-CB 4.3Å; L346-A363 HydrophobicContact CB-CB 4.18Å; L346-A363 HydrophobicContact CD1-CB 3.91Å; V359-A363 WeakPolarHBondContact O-CB 3.07Å; V359-A363 PolarHBondContact O-N 3.39Å; Y360-A363 PolarHBondContact O-N 2.78Å; A363-L366 PolarHBondContact O-N 2.95Å; A363-C367 PolarHBondContact O-N 2.96Å; A363-C367 PolarHBondContact O-SG 3.15Å; A363-L380 HydrophobicContact CB-CD1 3.82Å |
| 364 | S | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | Y360 L366 C367 L368 G377 A381 | Y360-S364 WeakPolarHBondContact O-CB 3.48Å; Y360-S364 PolarHBondContact O-N 2.94Å; S364-L366 VanDerWaalsContact C-N 3.33Å; S364-L366 PolarHBondContact O-N 3.46Å; S364-C367 PolarHBondContact O-N 3Å; S364-L368 WeakPolarHBondContact O-CB 3.47Å; S364-L368 WeakPolarHBondContact O-CG 3.43Å; S364-L368 PolarHBondContact O-N 3.41Å; S364-G377 WeakPolarHBondContact CB-O 3.2Å; S364-G377 PolarHBondContact OG-O 3.17Å; S364-A381 WeakPolarHBondContact OG-CB 3.46Å |
| 365 | S | 95.3 | Very high | 94 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 112.7 | L361 F362 G369 V805 C807 | L361-S365 WeakPolarHBondContact O-CB 3.39Å; L361-S365 PolarHBondContact O-N 3.32Å; F362-S365 PolarHBondContact O-N 3.28Å; S365-G369 WeakPolarHBondContact O-CA 3.15Å; S365-G369 PolarHBondContact O-N 3.43Å; S365-V805 WeakPolarHBondContact CB-O 3.41Å; S365-V805 PolarHBondContact OG-O 3.36Å; S365-C807 PolarHBondContact OG-N 2.97Å; S365-C807 PolarHBondContact OG-SG 3.34Å |
| 366 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 176 | -69.9 | 172.3 | 0 | 0 | 0 | 112 | I334 Y339 L346 F362 A363 S364 H370 L371 C807 | I334-L366 HydrophobicContact CD1-CD1 3.71Å; I334-L366 HydrophobicContact CG1-CD1 3.74Å; I334-L366 HydrophobicContact CG1-CD2 4.27Å; I334-L366 HydrophobicContact CG2-CD2 4.14Å; Y339-L366 HydrophobicContact CD1-CD2 3.69Å; Y339-L366 HydrophobicContact CE1-CD2 4.45Å; Y339-L366 HydrophobicContact CG-CD2 4.29Å; L346-L366 HydrophobicContact CD1-CD1 3.82Å; F362-L366 VanDerWaalsContact O-CG 3.32Å; F362-L366 WeakPolarHBondContact O-CG 3.29Å; F362-L366 PolarHBondContact O-N 3.17Å; A363-L366 PolarHBondContact O-N 2.95Å; S364-L366 VanDerWaalsContact C-N 3.33Å; S364-L366 PolarHBondContact O-N 3.46Å; L366-H370 PolarHBondContact O-N 2.9Å; L366-L371 HydrophobicContact CB-CD1 4.45Å; L366-L371 PolarHBondContact O-N 3.2Å; L366-C807 HydrophobicContact CD2-CB 4.4Å |
| 367 | C | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -58.6 | -49.5 | 179 | -72.6 | 0 | 0 | 0 | 0 | 111.7 | Y343 A363 S364 N372 L373 G377 | Y343-C367 WeakPolarHBondContact CE2-SG 3.14Å; A363-C367 PolarHBondContact O-N 2.96Å; A363-C367 PolarHBondContact O-SG 3.15Å; S364-C367 PolarHBondContact O-N 3Å; C367-N372 PolarHBondContact O-N 2.97Å; C367-N372 VanDerWaalsContact O-N 3.09Å; C367-L373 HydrophobicContact CB-CB 4.07Å; C367-L373 WeakPolarHBondContact CB-O 3.2Å; C367-L373 PolarHBondContact O-N 3.31Å; C367-G377 VanDerWaalsContact CB-CA 3.48Å |
| 368 | L | 93.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -74.2 | -37.4 | -179.1 | -62.8 | 179.6 | 0 | 0 | 0 | 113 | S364 I374 M378 L402 W405 I409 | S364-L368 WeakPolarHBondContact O-CB 3.47Å; S364-L368 WeakPolarHBondContact O-CG 3.43Å; S364-L368 PolarHBondContact O-N 3.41Å; L368-I374 HydrophobicContact CD2-CG2 4.19Å; L368-M378 HydrophobicContact CD2-CG 4.42Å; L368-L402 WeakPolarHBondContact CD1-O 3.31Å; L368-W405 HydrophobicContact CB-CD2 4.3Å; L368-W405 HydrophobicContact CB-CE3 4.01Å; L368-W405 HydrophobicContact CB-CH2 4.06Å; L368-W405 HydrophobicContact CB-CZ2 4.32Å; L368-W405 HydrophobicContact CB-CZ3 3.9Å; L368-W405 HydrophobicContact CD1-CD2 4.24Å; L368-W405 HydrophobicContact CD1-CE3 3.87Å; L368-W405 HydrophobicContact CD1-CZ3 4.46Å; L368-I409 HydrophobicContact CB-CD1 4.02Å; L368-I409 HydrophobicContact CD2-CD1 4.19Å |
| 369 | G | 90.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -89.6 | -38.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S365 | S365-G369 WeakPolarHBondContact O-CA 3.15Å; S365-G369 PolarHBondContact O-N 3.43Å |
| 370 | H | 89.9 | Confident | 94.8 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -126.9 | -25.1 | -168.3 | -66.5 | -72.5 | 0 | 0 | 0 | 114.4 | Y339 L366 C807 | Y339-H370 HydrophobicContact CD1-CB 4.5Å; Y339-H370 HydrophobicContact CD2-CB 3.54Å; Y339-H370 AromaticContact CD2-CG 3.7Å; Y339-H370 AromaticContact CD2-ND1 3.89Å; Y339-H370 AromaticContact CE1-CD2 3.96Å; Y339-H370 AromaticContact CE1-NE2 3.9Å; Y339-H370 HydrophobicContact CE2-CB 3.93Å; Y339-H370 AromaticContact CE2-CE1 3.76Å; Y339-H370 AromaticContact CE2-CG 3.58Å; Y339-H370 AromaticContact CE2-ND1 3.29Å; Y339-H370 VanDerWaalsContact CE2-ND1 3.29Å; Y339-H370 WeakPolarHBondContact CE2-ND1 3.32Å; Y339-H370 HydrophobicContact CG-CB 3.84Å; Y339-H370 AromaticContact CZ-CD2 3.96Å; Y339-H370 AromaticContact CZ-CE1 3.48Å; Y339-H370 VanDerWaalsContact CZ-CE1 3.48Å; Y339-H370 AromaticContact CZ-CG 3.83Å; Y339-H370 AromaticContact CZ-ND1 3.52Å; Y339-H370 AromaticContact CZ-NE2 3.73Å; Y339-H370 PolarHBondContact OH-CE1 3.1Å; Y339-H370 VanDerWaalsContact OH-CE1 3.3Å; L366-H370 PolarHBondContact O-N 2.9Å; H370-C807 PolarHBondContact NE2-O 3.17Å |
| 371 | L | 92.2 | Very high | 94.8 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.199 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -103.9 | -11.6 | -174.1 | -58.2 | 176.4 | 0 | 0 | 0 | 114.3 | Y340 Y343 L366 L373 | Y340-L371 HydrophobicContact CD2-CD1 4.42Å; Y340-L371 HydrophobicContact CD2-CD2 4.42Å; Y343-L371 HydrophobicContact CD1-CD1 4.19Å; Y343-L371 HydrophobicContact CG-CD1 3.98Å; L366-L371 HydrophobicContact CB-CD1 4.45Å; L366-L371 PolarHBondContact O-N 3.2Å; L371-L373 HydrophobicContact CB-CB 4.42Å; L371-L373 HydrophobicContact CB-CD1 3.92Å; L371-L373 HydrophobicContact CB-CG 3.9Å; L371-L373 HydrophobicContact CD1-CD1 4.06Å; L371-L373 PolarHBondContact O-N 2.93Å |
| 372 | N | 91.6 | Very high | 94.9 | Very high | 123 Ų | 123 | 38.3 Ų | 38.3 | 66% | 0.658 | 20% | 0.195 | S | C | * | . | trans | 55.9 | 27.4 | -173.5 | -163.3 | 36.5 | 0 | 0 | 0 | 113.6 | C367 I374 | C367-N372 PolarHBondContact O-N 2.97Å; C367-N372 VanDerWaalsContact O-N 3.09Å; N372-I374 VanDerWaalsContact C-N 3.34Å; N372-I374 PolarHBondContact O-N 3.49Å | ||
| 373 | L | 95 | Very high | 95 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | trans | -91.4 | 68.9 | 176 | -63.7 | 173.8 | 0 | 0 | 0 | 109 | Y343 C367 L371 E375 E376 G377 | Y343-L373 HydrophobicContact CD1-CD1 4.47Å; Y343-L373 HydrophobicContact CE1-CD1 4.2Å; C367-L373 HydrophobicContact CB-CB 4.07Å; C367-L373 WeakPolarHBondContact CB-O 3.2Å; C367-L373 PolarHBondContact O-N 3.31Å; L371-L373 HydrophobicContact CB-CB 4.42Å; L371-L373 HydrophobicContact CB-CD1 3.92Å; L371-L373 HydrophobicContact CB-CG 3.9Å; L371-L373 HydrophobicContact CD1-CD1 4.06Å; L371-L373 PolarHBondContact O-N 2.93Å; L373-E375 PolarHBondContact O-N 3.46Å; L373-E376 HydrophobicContact CB-CB 4.33Å; L373-G377 PolarHBondContact O-N 3.23Å | ||
| 374 | I | 94.6 | Very high | 95 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.138 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | -166 | -56.9 | 162.7 | 0 | 0 | 0 | 112.1 | L368 N372 G377 M378 I409 L410 | L368-I374 HydrophobicContact CD2-CG2 4.19Å; N372-I374 VanDerWaalsContact C-N 3.34Å; N372-I374 PolarHBondContact O-N 3.49Å; I374-G377 PolarHBondContact O-N 3.14Å; I374-M378 HydrophobicContact CG2-SD 4.21Å; I374-M378 WeakPolarHBondContact O-CG 3.35Å; I374-M378 PolarHBondContact O-N 3.23Å; I374-I409 HydrophobicContact CD1-CG2 3.53Å; I374-I409 HydrophobicContact CG1-CG2 3.94Å; I374-L410 HydrophobicContact CB-CD2 4.45Å; I374-L410 HydrophobicContact CD1-CD2 4.38Å; I374-L410 HydrophobicContact CG2-CD1 4.48Å; I374-L410 HydrophobicContact CG2-CD2 3.71Å; I374-L410 HydrophobicContact CG2-CG 3.82Å |
| 375 | E | 95.6 | Very high | 94.9 | Very high | 165 Ų | 165 | 38.8 Ų | 38.8 | 77% | 0.771 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -63.2 | -48.4 | -178.2 | -64.1 | -176.9 | 170.4 | 0 | 0 | 111.5 | L373 G377 M378 E379 | L373-E375 PolarHBondContact O-N 3.46Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.44Å; E375-M378 PolarHBondContact O-N 2.82Å; E375-E379 PolarHBondContact O-N 3.39Å |
| 376 | E | 95.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.1 | -61.5 | -174.7 | -179.4 | 0 | 0 | 111.5 | Y343 L373 M378 E379 L380 | Y343-E376 VanDerWaalsContact CZ-OE2 3.27Å; Y343-E376 PolarHBondContact OH-OE2 2.98Å; L373-E376 HydrophobicContact CB-CB 4.33Å; E376-M378 VanDerWaalsContact C-N 3.31Å; E376-M378 PolarHBondContact O-N 3.43Å; E376-E379 PolarHBondContact O-N 3.03Å; E376-L380 WeakPolarHBondContact O-CB 3.48Å; E376-L380 WeakPolarHBondContact O-CD1 3.36Å; E376-L380 VanDerWaalsContact O-CG 3.28Å; E376-L380 WeakPolarHBondContact O-CG 3.29Å; E376-L380 PolarHBondContact O-N 3.21Å |
| 377 | G | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S364 C367 L373 I374 E375 A381 | S364-G377 WeakPolarHBondContact CB-O 3.2Å; S364-G377 PolarHBondContact OG-O 3.17Å; C367-G377 VanDerWaalsContact CB-CA 3.48Å; L373-G377 PolarHBondContact O-N 3.23Å; I374-G377 PolarHBondContact O-N 3.14Å; E375-G377 VanDerWaalsContact C-N 3.32Å; E375-G377 PolarHBondContact O-N 3.44Å; G377-A381 WeakPolarHBondContact O-CB 3.47Å; G377-A381 PolarHBondContact O-N 3.04Å |
| 378 | M | 96.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.1 | -39.3 | 176.2 | -75.6 | -175 | 59.1 | 0 | 0 | 113.1 | L368 I374 E375 E376 L380 A381 S382 W407 L410 | L368-M378 HydrophobicContact CD2-CG 4.42Å; I374-M378 HydrophobicContact CG2-SD 4.21Å; I374-M378 WeakPolarHBondContact O-CG 3.35Å; I374-M378 PolarHBondContact O-N 3.23Å; E375-M378 PolarHBondContact O-N 2.82Å; E376-M378 VanDerWaalsContact C-N 3.31Å; E376-M378 PolarHBondContact O-N 3.43Å; M378-L380 VanDerWaalsContact C-N 3.34Å; M378-A381 PolarHBondContact O-N 3.49Å; M378-S382 WeakPolarHBondContact O-CB 3.44Å; M378-S382 PolarHBondContact O-N 3.24Å; M378-S382 PolarHBondContact O-OG 3.3Å; M378-W407 HydrophobicContact CE-CD2 3.6Å; M378-W407 VanDerWaalsContact CE-CE2 3.43Å; M378-W407 HydrophobicContact CE-CE3 3.85Å; M378-W407 HydrophobicContact CE-CG 4.19Å; M378-W407 HydrophobicContact CE-CH2 3.78Å; M378-W407 HydrophobicContact CE-CZ2 3.55Å; M378-W407 HydrophobicContact CE-CZ3 3.93Å; M378-L410 HydrophobicContact CE-CD1 4.27Å; M378-L410 HydrophobicContact SD-CD1 3.52Å; M378-L410 VanDerWaalsContact SD-CD1 3.52Å; M378-L410 HydrophobicContact SD-CG 4.25Å |
| 379 | E | 97.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 174.8 | -170.4 | -169.1 | 153.6 | 0 | 0 | 110.2 | E375 E376 A381 S382 Q383 | E375-E379 PolarHBondContact O-N 3.39Å; E376-E379 PolarHBondContact O-N 3.03Å; E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.18Å; E379-S382 PolarHBondContact O-N 3Å; E379-Q383 WeakPolarHBondContact O-CG 3.47Å; E379-Q383 PolarHBondContact O-N 3.1Å; E379-Q383 PolarHBondContact OE1-NE2 3.49Å |
| 380 | L | 97.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.6 | -72.2 | 166.6 | 0 | 0 | 0 | 112.6 | Y343 L350 Y360 A363 E376 M378 A384 | Y343-L380 HydrophobicContact CE2-CD1 3.93Å; L350-L380 HydrophobicContact CD1-CD2 3.79Å; Y360-L380 HydrophobicContact CD1-CD2 3.97Å; Y360-L380 HydrophobicContact CE1-CD2 4.41Å; A363-L380 HydrophobicContact CB-CD1 3.82Å; E376-L380 WeakPolarHBondContact O-CB 3.48Å; E376-L380 WeakPolarHBondContact O-CD1 3.36Å; E376-L380 VanDerWaalsContact O-CG 3.28Å; E376-L380 WeakPolarHBondContact O-CG 3.29Å; E376-L380 PolarHBondContact O-N 3.21Å; M378-L380 VanDerWaalsContact C-N 3.34Å; L380-A384 WeakPolarHBondContact O-CB 2.79Å; L380-A384 PolarHBondContact O-N 3.17Å |
| 381 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S364 G377 M378 E379 A384 V385 L402 V403 | S364-A381 WeakPolarHBondContact OG-CB 3.46Å; G377-A381 WeakPolarHBondContact O-CB 3.47Å; G377-A381 PolarHBondContact O-N 3.04Å; M378-A381 PolarHBondContact O-N 3.49Å; E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.18Å; A381-A384 VanDerWaalsContact O-CB 3.3Å; A381-A384 WeakPolarHBondContact O-CB 3.45Å; A381-A384 PolarHBondContact O-N 2.95Å; A381-V385 PolarHBondContact O-N 3.2Å; A381-V385 VanDerWaalsContact O-N 3.08Å; A381-L402 HydrophobicContact CB-CB 3.89Å; A381-V403 HydrophobicContact CB-CB 4.44Å; A381-V403 HydrophobicContact CB-CG2 3.52Å |
| 382 | S | 97 | Very high | 92.2 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | M378 E379 A384 V385 E386 | M378-S382 WeakPolarHBondContact O-CB 3.44Å; M378-S382 PolarHBondContact O-N 3.24Å; M378-S382 PolarHBondContact O-OG 3.3Å; E379-S382 PolarHBondContact O-N 3Å; S382-A384 VanDerWaalsContact C-N 3.27Å; S382-A384 PolarHBondContact O-N 3.29Å; S382-V385 WeakPolarHBondContact O-CB 3.14Å; S382-V385 PolarHBondContact O-N 3.49Å; S382-V385 VanDerWaalsContact O-N 3.11Å; S382-E386 PolarHBondContact O-N 3.22Å; S382-E386 VanDerWaalsContact O-N 3.14Å |
| 383 | Q | 96.2 | Very high | 92.1 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 171.3 | -71 | 170.9 | 3.8 | 0 | 0 | 111.5 | Y360 E379 V385 E386 V387 | Y360-Q383 HydrophobicContact CD1-CB 3.84Å; Y360-Q383 HydrophobicContact CE1-CB 3.65Å; E379-Q383 WeakPolarHBondContact O-CG 3.47Å; E379-Q383 PolarHBondContact O-N 3.1Å; E379-Q383 PolarHBondContact OE1-NE2 3.49Å; Q383-V385 VanDerWaalsContact C-N 3.31Å; Q383-V385 PolarHBondContact O-N 2.71Å; Q383-E386 PolarHBondContact O-N 3.31Å; Q383-V387 WeakPolarHBondContact O-CG2 3.16Å; Q383-V387 PolarHBondContact O-N 3.19Å |
| 384 | A | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | T357 Y360 L361 L380 A381 S382 S388 A399 | T357-A384 HydrophobicContact CG2-CB 4.28Å; Y360-A384 HydrophobicContact CG-CB 4.31Å; L361-A384 HydrophobicContact CD2-CB 4.05Å; L380-A384 WeakPolarHBondContact O-CB 2.79Å; L380-A384 PolarHBondContact O-N 3.17Å; A381-A384 VanDerWaalsContact O-CB 3.3Å; A381-A384 WeakPolarHBondContact O-CB 3.45Å; A381-A384 PolarHBondContact O-N 2.95Å; S382-A384 VanDerWaalsContact C-N 3.27Å; S382-A384 PolarHBondContact O-N 3.29Å; A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 2.81Å; A384-S388 PolarHBondContact O-OG 3.02Å; A384-A399 HydrophobicContact CB-CB 3.72Å |
| 385 | V | 95.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.9 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | A381 S382 Q383 S388 A389 M396 A399 H400 V403 | A381-V385 PolarHBondContact O-N 3.2Å; A381-V385 VanDerWaalsContact O-N 3.08Å; S382-V385 WeakPolarHBondContact O-CB 3.14Å; S382-V385 PolarHBondContact O-N 3.49Å; S382-V385 VanDerWaalsContact O-N 3.11Å; Q383-V385 VanDerWaalsContact C-N 3.31Å; Q383-V385 PolarHBondContact O-N 2.71Å; V385-S388 WeakPolarHBondContact CA-OG 3.49Å; V385-S388 PolarHBondContact O-N 2.89Å; V385-S388 PolarHBondContact O-OG 3.37Å; V385-A389 PolarHBondContact O-N 3.12Å; V385-A389 VanDerWaalsContact O-N 3.09Å; V385-M396 HydrophobicContact CG1-CE 4.02Å; V385-A399 HydrophobicContact CB-CB 4.4Å; V385-A399 HydrophobicContact CG2-CB 3.56Å; V385-H400 WeakPolarHBondContact CG1-NE2 3.44Å; V385-V403 HydrophobicContact CG2-CG2 4.27Å |
| 386 | E | 93.7 | Very high | 91.7 | Very high | 140 Ų | 140 | 57.5 Ų | 57.5 | 65% | 0.654 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 180 | -66.5 | 177.4 | -179 | 0 | 0 | 112.7 | S382 Q383 A389 | S382-E386 PolarHBondContact O-N 3.22Å; S382-E386 VanDerWaalsContact O-N 3.14Å; Q383-E386 PolarHBondContact O-N 3.31Å; E386-A389 WeakPolarHBondContact O-CB 3.34Å; E386-A389 PolarHBondContact O-N 3.5Å |
| 387 | V | 93.2 | Very high | 91.6 | Very high | 29 Ų | 29 | 54 Ų | 54 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.3 | -36.1 | 179.2 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | S355 Y360 Q383 A389 Q390 | S355-V387 VanDerWaalsContact O-CG1 3.26Å; S355-V387 WeakPolarHBondContact O-CG1 3.3Å; Y360-V387 HydrophobicContact CE2-CB 4.43Å; Y360-V387 HydrophobicContact CE2-CG1 4.41Å; Y360-V387 HydrophobicContact CE2-CG2 3.93Å; Q383-V387 WeakPolarHBondContact O-CG2 3.16Å; Q383-V387 PolarHBondContact O-N 3.19Å; V387-A389 VanDerWaalsContact C-N 3.32Å; V387-A389 PolarHBondContact O-N 2.97Å; V387-Q390 PolarHBondContact O-N 3.37Å |
| 388 | S | 91.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.2 | -17.9 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | A384 V385 Q390 S391 M396 | A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 2.81Å; A384-S388 PolarHBondContact O-OG 3.02Å; V385-S388 WeakPolarHBondContact CA-OG 3.49Å; V385-S388 PolarHBondContact O-N 2.89Å; V385-S388 PolarHBondContact O-OG 3.37Å; S388-Q390 PolarHBondContact O-N 3.03Å; S388-S391 WeakPolarHBondContact CA-OG 3.05Å; S388-S391 CarbonylContact O-C 3.42Å; S388-S391 PolarHBondContact O-N 2.83Å; S388-S391 PolarHBondContact O-OG 3.46Å; S388-M396 VanDerWaalsContact OG-CA 3.25Å; S388-M396 WeakPolarHBondContact OG-CA 3.35Å; S388-M396 WeakPolarHBondContact OG-CB 3.33Å; S388-M396 WeakPolarHBondContact OG-CG 3.4Å |
| 389 | A | 86.3 | Confident | 91.5 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V385 E386 V387 | V385-A389 PolarHBondContact O-N 3.12Å; V385-A389 VanDerWaalsContact O-N 3.09Å; E386-A389 WeakPolarHBondContact O-CB 3.34Å; E386-A389 PolarHBondContact O-N 3.5Å; V387-A389 VanDerWaalsContact C-N 3.32Å; V387-A389 PolarHBondContact O-N 2.97Å |
| 390 | Q | 78.4 | Confident | 91.4 | Very high | 182 Ų | 182 | 51.5 Ų | 51.5 | 85% | 0.85 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.7 | 175.6 | -57.4 | 179 | 5.1 | 0 | 0 | 113.4 | V387 S388 | V387-Q390 PolarHBondContact O-N 3.37Å; S388-Q390 PolarHBondContact O-N 3.03Å |
| 391 | S | 72.8 | Confident | 91.4 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -126.6 | -159 | -170.4 | 76 | 0 | 0 | 0 | 0 | 112.8 | S388 | S388-S391 WeakPolarHBondContact CA-OG 3.05Å; S388-S391 CarbonylContact O-C 3.42Å; S388-S391 PolarHBondContact O-N 2.83Å; S388-S391 PolarHBondContact O-OG 3.46Å |
| 392 | E | 79.8 | Confident | 91.4 | Very high | 131 Ų | 131 | 51.6 Ų | 51.6 | 61% | 0.612 | 28% | 0.28 | S | S | * | . | trans | -63.5 | 135.4 | -174.7 | -67.2 | 175.8 | 177.8 | 0 | 0 | 112.8 | A394 F395 | E392-A394 PolarHBondContact O-N 2.81Å; E392-F395 HydrophobicContact CB-CD2 4.15Å; E392-F395 PolarHBondContact O-N 2.8Å; E392-F395 VanDerWaalsContact O-N 3.14Å | ||
| 393 | T | 88.3 | Confident | 91.4 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58 | -31.9 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | F395 M396 A397 | T393-F395 PolarHBondContact O-N 3.33Å; T393-M396 WeakPolarHBondContact O-CB 3.4Å; T393-M396 PolarHBondContact O-N 3.5Å; T393-A397 PolarHBondContact O-N 2.81Å |
| 394 | A | 90.5 | Very high | 91.5 | Very high | 43 Ų | 43 | 47 Ų | 47 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E392 M396 A397 R398 | E392-A394 PolarHBondContact O-N 2.81Å; A394-M396 VanDerWaalsContact C-N 3.33Å; A394-A397 PolarHBondContact O-N 2.78Å; A394-R398 PolarHBondContact O-N 2.81Å |
| 395 | F | 91.7 | Very high | 91.5 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.9 | -33.9 | 175.8 | -70.9 | -52.7 | 0 | 0 | 0 | 112.1 | T357 L361 E392 T393 R398 A399 | T357-F395 HydrophobicContact CG2-CB 3.88Å; T357-F395 HydrophobicContact CG2-CG 4.45Å; L361-F395 HydrophobicContact CD1-CB 4.44Å; L361-F395 HydrophobicContact CD1-CD1 3.64Å; L361-F395 HydrophobicContact CD1-CE1 4.38Å; L361-F395 HydrophobicContact CD1-CG 4.43Å; E392-F395 HydrophobicContact CB-CD2 4.15Å; E392-F395 PolarHBondContact O-N 2.8Å; E392-F395 VanDerWaalsContact O-N 3.14Å; T393-F395 PolarHBondContact O-N 3.33Å; F395-R398 PolarHBondContact O-N 2.83Å; F395-A399 WeakPolarHBondContact O-CB 3.37Å; F395-A399 PolarHBondContact O-N 3.34Å |
| 396 | M | 94.9 | Very high | 91.5 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 174.1 | -167.1 | -176.7 | 179.6 | 0 | 0 | 111.1 | V385 S388 T393 A394 R398 A399 H400 L437 | V385-M396 HydrophobicContact CG1-CE 4.02Å; S388-M396 VanDerWaalsContact OG-CA 3.25Å; S388-M396 WeakPolarHBondContact OG-CA 3.35Å; S388-M396 WeakPolarHBondContact OG-CB 3.33Å; S388-M396 WeakPolarHBondContact OG-CG 3.4Å; T393-M396 WeakPolarHBondContact O-CB 3.4Å; T393-M396 PolarHBondContact O-N 3.5Å; A394-M396 VanDerWaalsContact C-N 3.33Å; M396-R398 VanDerWaalsContact C-N 3.29Å; M396-R398 PolarHBondContact O-N 3.33Å; M396-A399 WeakPolarHBondContact O-CB 3.44Å; M396-A399 PolarHBondContact O-N 2.79Å; M396-H400 PolarHBondContact O-CD2 2.8Å; M396-H400 VanDerWaalsContact O-CD2 3.31Å; M396-H400 PolarHBondContact O-N 2.82Å; M396-L437 HydrophobicContact CB-CD1 4.25Å; M396-L437 HydrophobicContact CE-CD1 4.42Å; M396-L437 HydrophobicContact CG-CD1 3.82Å; M396-L437 HydrophobicContact SD-CD1 4.04Å; M396-L437 HydrophobicContact SD-CD2 4.27Å |
| 397 | A | 95 | Very high | 91.7 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T393 A394 A399 H400 L401 A434 L437 D438 | T393-A397 PolarHBondContact O-N 2.81Å; A394-A397 PolarHBondContact O-N 2.78Å; A397-A399 PolarHBondContact O-N 3.1Å; A397-H400 PolarHBondContact O-N 2.7Å; A397-L401 PolarHBondContact O-N 3.47Å; A397-A434 WeakPolarHBondContact O-CB 3.12Å; A397-L437 HydrophobicContact CB-CB 3.7Å; A397-D438 HydrophobicContact CB-CB 3.46Å; A397-D438 VanDerWaalsContact CB-CB 3.46Å |
| 398 | R | 94 | Very high | 91.8 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 21% | 0.211 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 177.8 | -157.4 | 63.8 | 166.1 | -174.6 | -3.6 | 113.2 | L361 A394 F395 M396 L401 L402 D441 V805 | L361-R398 HydrophobicContact CD1-CB 4.16Å; L361-R398 HydrophobicContact CD1-CG 4.21Å; L361-R398 HydrophobicContact CD2-CB 4.37Å; L361-R398 HydrophobicContact CD2-CG 4.45Å; A394-R398 PolarHBondContact O-N 2.81Å; F395-R398 PolarHBondContact O-N 2.83Å; M396-R398 VanDerWaalsContact C-N 3.29Å; M396-R398 PolarHBondContact O-N 3.33Å; R398-L401 WeakPolarHBondContact O-CB 3.39Å; R398-L401 PolarHBondContact O-N 3.43Å; R398-L402 WeakPolarHBondContact O-CG 3.16Å; R398-L402 PolarHBondContact O-N 3.07Å; R398-L402 VanDerWaalsContact O-N 3.11Å; R398-D441 IonicContact CZ-OD2 3.35Å; R398-D441 IonicContact NH1-OD1 3.95Å; R398-D441 IonicContact NH1-OD2 2.61Å; R398-D441 PolarHBondContact NH1-OD2 3.18Å; R398-V805 VanDerWaalsContact NH2-CG2 3.29Å |
| 399 | A | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | L361 A384 V385 F395 M396 A397 L401 L402 V403 | L361-A399 HydrophobicContact CD2-CB 3.97Å; A384-A399 HydrophobicContact CB-CB 3.72Å; V385-A399 HydrophobicContact CB-CB 4.4Å; V385-A399 HydrophobicContact CG2-CB 3.56Å; F395-A399 WeakPolarHBondContact O-CB 3.37Å; F395-A399 PolarHBondContact O-N 3.34Å; M396-A399 WeakPolarHBondContact O-CB 3.44Å; M396-A399 PolarHBondContact O-N 2.79Å; A397-A399 PolarHBondContact O-N 3.1Å; A399-L401 VanDerWaalsContact C-N 3.3Å; A399-L401 PolarHBondContact O-N 3.08Å; A399-L402 WeakPolarHBondContact O-CB 3.31Å; A399-L402 PolarHBondContact O-N 2.89Å; A399-L402 VanDerWaalsContact O-N 3.08Å; A399-V403 WeakPolarHBondContact O-CG2 3.49Å; A399-V403 PolarHBondContact O-N 2.84Å |
| 400 | H | 97.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 9% | 0.088 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 174 | -81 | -71.9 | 0 | 0 | 0 | 112.6 | V385 M396 A397 L402 V403 G404 E430 I433 A434 | V385-H400 WeakPolarHBondContact CG1-NE2 3.44Å; M396-H400 PolarHBondContact O-CD2 2.8Å; M396-H400 VanDerWaalsContact O-CD2 3.31Å; M396-H400 PolarHBondContact O-N 2.82Å; A397-H400 PolarHBondContact O-N 2.7Å; H400-L402 VanDerWaalsContact C-N 3.32Å; H400-L402 PolarHBondContact O-N 3.43Å; H400-V403 PolarHBondContact O-N 3.24Å; H400-G404 PolarHBondContact O-N 3.37Å; H400-E430 IonicContact CE1-OE2 2.73Å; H400-E430 IonicContact CG-OE2 3.25Å; H400-E430 IonicContact ND1-OE2 3.49Å; H400-E430 PolarHBondContact ND1-OE2 3.25Å; H400-I433 HydrophobicContact CB-CG2 4.46Å; H400-A434 HydrophobicContact CB-CB 4.01Å |
| 401 | L | 96.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.6 | -173.1 | 68.1 | 0 | 0 | 0 | 112 | A397 R398 A399 W405 Y431 A434 L443 H447 V805 | A397-L401 PolarHBondContact O-N 3.47Å; R398-L401 WeakPolarHBondContact O-CB 3.39Å; R398-L401 PolarHBondContact O-N 3.43Å; A399-L401 VanDerWaalsContact C-N 3.3Å; A399-L401 PolarHBondContact O-N 3.08Å; L401-W405 WeakPolarHBondContact O-CB 3.44Å; L401-W405 PolarHBondContact O-N 3.39Å; L401-Y431 HydrophobicContact CD1-CD1 3.78Å; L401-Y431 HydrophobicContact CD1-CE1 3.86Å; L401-Y431 WeakPolarHBondContact O-CE1 3.47Å; L401-A434 HydrophobicContact CB-CB 4.3Å; L401-L443 HydrophobicContact CD2-CB 4.02Å; L401-H447 HydrophobicContact CD1-CB 4.01Å; L401-V805 HydrophobicContact CD2-CG2 3.7Å |
| 402 | L | 96.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.7 | -40.4 | 176.6 | -68 | 177.6 | 0 | 0 | 0 | 112.4 | L361 L368 A381 R398 A399 H400 W405 G406 V805 | L361-L402 HydrophobicContact CB-CD1 4.2Å; L361-L402 HydrophobicContact CD2-CD1 3.63Å; L368-L402 WeakPolarHBondContact CD1-O 3.31Å; A381-L402 HydrophobicContact CB-CB 3.89Å; R398-L402 WeakPolarHBondContact O-CG 3.16Å; R398-L402 PolarHBondContact O-N 3.07Å; R398-L402 VanDerWaalsContact O-N 3.11Å; A399-L402 WeakPolarHBondContact O-CB 3.31Å; A399-L402 PolarHBondContact O-N 2.89Å; A399-L402 VanDerWaalsContact O-N 3.08Å; H400-L402 VanDerWaalsContact C-N 3.32Å; H400-L402 PolarHBondContact O-N 3.43Å; L402-W405 HydrophobicContact CD2-CE3 3.73Å; L402-W405 HydrophobicContact CD2-CZ3 4.08Å; L402-W405 WeakPolarHBondContact O-CB 3.3Å; L402-W405 PolarHBondContact O-N 3.39Å; L402-G406 PolarHBondContact O-N 2.98Å; L402-V805 HydrophobicContact CD2-CB 4.22Å; L402-V805 HydrophobicContact CD2-CG2 4.43Å |
| 403 | V | 97.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 174 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | A381 V385 A399 H400 W405 G406 W407 E430 | A381-V403 HydrophobicContact CB-CB 4.44Å; A381-V403 HydrophobicContact CB-CG2 3.52Å; V385-V403 HydrophobicContact CG2-CG2 4.27Å; A399-V403 WeakPolarHBondContact O-CG2 3.49Å; A399-V403 PolarHBondContact O-N 2.84Å; H400-V403 PolarHBondContact O-N 3.24Å; V403-W405 VanDerWaalsContact C-N 3.3Å; V403-W405 PolarHBondContact O-N 3Å; V403-G406 PolarHBondContact O-N 3.08Å; V403-W407 PolarHBondContact O-N 3.19Å; V403-E430 HydrophobicContact CB-CG 4.41Å; V403-E430 HydrophobicContact CG1-CG 3.94Å |
| 404 | G | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H400 G406 W407 S408 A427 Y431 | H400-G404 PolarHBondContact O-N 3.37Å; G404-G406 PolarHBondContact O-N 3.45Å; G404-W407 PolarHBondContact O-N 2.65Å; G404-S408 PolarHBondContact O-N 2.87Å; G404-S408 PolarHBondContact O-OG 3.03Å; G404-A427 WeakPolarHBondContact O-CB 3.39Å; G404-Y431 VanDerWaalsContact C-CZ 3.46Å; G404-Y431 VanDerWaalsContact C-OH 3.31Å; G404-Y431 PolarHBondContact O-OH 3.35Å |
| 405 | W | 96.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.4 | -177.5 | 26.7 | 0 | 0 | 0 | 112.9 | L368 L401 L402 V403 W407 S408 I409 Y431 L803 G804 R806 | L368-W405 HydrophobicContact CB-CD2 4.3Å; L368-W405 HydrophobicContact CB-CE3 4.01Å; L368-W405 HydrophobicContact CB-CH2 4.06Å; L368-W405 HydrophobicContact CB-CZ2 4.32Å; L368-W405 HydrophobicContact CB-CZ3 3.9Å; L368-W405 HydrophobicContact CD1-CD2 4.24Å; L368-W405 HydrophobicContact CD1-CE3 3.87Å; L368-W405 HydrophobicContact CD1-CZ3 4.46Å; L401-W405 WeakPolarHBondContact O-CB 3.44Å; L401-W405 PolarHBondContact O-N 3.39Å; L402-W405 HydrophobicContact CD2-CE3 3.73Å; L402-W405 HydrophobicContact CD2-CZ3 4.08Å; L402-W405 WeakPolarHBondContact O-CB 3.3Å; L402-W405 PolarHBondContact O-N 3.39Å; V403-W405 VanDerWaalsContact C-N 3.3Å; V403-W405 PolarHBondContact O-N 3Å; W405-W407 VanDerWaalsContact C-N 3.35Å; W405-W407 PolarHBondContact O-N 3.32Å; W405-S408 PolarHBondContact O-N 3.27Å; W405-I409 HydrophobicContact CD2-CD1 4.34Å; W405-I409 HydrophobicContact CG-CD1 4.33Å; W405-I409 HydrophobicContact CZ2-CD1 4.37Å; W405-I409 WeakPolarHBondContact O-CG1 3.44Å; W405-I409 PolarHBondContact O-N 3.08Å; W405-Y431 WeakPolarHBondContact CA-OH 3.37Å; W405-Y431 PolarHBondContact N-OH 3.42Å; W405-L803 WeakPolarHBondContact CZ2-O 3.46Å; W405-L803 PolarHBondContact NE1-O 3.42Å; W405-G804 VanDerWaalsContact CE3-CA 3.46Å; W405-G804 VanDerWaalsContact CZ2-CA 3.46Å; W405-R806 HydrophobicContact CH2-CG 4.09Å |
| 406 | G | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L402 V403 G404 S408 I409 L410 | L402-G406 PolarHBondContact O-N 2.98Å; V403-G406 PolarHBondContact O-N 3.08Å; G404-G406 PolarHBondContact O-N 3.45Å; G406-S408 PolarHBondContact O-N 3.48Å; G406-I409 PolarHBondContact O-N 3Å; G406-L410 PolarHBondContact O-N 3.36Å |
| 407 | W | 97.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 33 Ų | 33 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.8 | -70.6 | 120.9 | 0 | 0 | 0 | 113 | M378 V403 G404 W405 I409 L410 A411 L423 R426 A427 | M378-W407 HydrophobicContact CE-CD2 3.6Å; M378-W407 VanDerWaalsContact CE-CE2 3.43Å; M378-W407 HydrophobicContact CE-CE3 3.85Å; M378-W407 HydrophobicContact CE-CG 4.19Å; M378-W407 HydrophobicContact CE-CH2 3.78Å; M378-W407 HydrophobicContact CE-CZ2 3.55Å; M378-W407 HydrophobicContact CE-CZ3 3.93Å; V403-W407 PolarHBondContact O-N 3.19Å; G404-W407 PolarHBondContact O-N 2.65Å; W405-W407 VanDerWaalsContact C-N 3.35Å; W405-W407 PolarHBondContact O-N 3.32Å; W407-I409 VanDerWaalsContact C-N 3.35Å; W407-I409 PolarHBondContact O-N 2.85Å; W407-L410 HydrophobicContact CE3-CD1 4Å; W407-L410 HydrophobicContact CZ3-CD1 4.02Å; W407-L410 PolarHBondContact O-N 3.43Å; W407-A411 WeakPolarHBondContact O-CB 3.18Å; W407-A411 PolarHBondContact O-N 3.27Å; W407-L423 HydrophobicContact CE3-CD2 3.44Å; W407-L423 VanDerWaalsContact CE3-CD2 3.44Å; W407-L423 HydrophobicContact CZ3-CD2 3.48Å; W407-L423 VanDerWaalsContact CZ3-CD2 3.48Å; W407-R426 HydrophobicContact CD2-CB 4.02Å; W407-R426 HydrophobicContact CG-CB 3.98Å; W407-A427 HydrophobicContact CB-CB 3.75Å |
| 408 | S | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.6 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | G404 W405 G406 A411 R412 A427 Y431 E451 | G404-S408 PolarHBondContact O-N 2.87Å; G404-S408 PolarHBondContact O-OG 3.03Å; W405-S408 PolarHBondContact O-N 3.27Å; G406-S408 PolarHBondContact O-N 3.48Å; S408-A411 PolarHBondContact O-N 2.78Å; S408-R412 VanDerWaalsContact O-CG 3.23Å; S408-R412 WeakPolarHBondContact O-CG 3.39Å; S408-R412 PolarHBondContact O-N 2.93Å; S408-A427 WeakPolarHBondContact OG-CB 3.48Å; S408-Y431 PolarHBondContact OG-OH 3.16Å; S408-E451 WeakPolarHBondContact CB-OE2 3.39Å; S408-E451 PolarHBondContact OG-OE2 3.02Å |
| 409 | I | 93 | Very high | 91.9 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.9 | -65.6 | 164.6 | 0 | 0 | 0 | 110.2 | L368 I374 W405 G406 W407 A411 R412 S413 | L368-I409 HydrophobicContact CB-CD1 4.02Å; L368-I409 HydrophobicContact CD2-CD1 4.19Å; I374-I409 HydrophobicContact CD1-CG2 3.53Å; I374-I409 HydrophobicContact CG1-CG2 3.94Å; W405-I409 HydrophobicContact CD2-CD1 4.34Å; W405-I409 HydrophobicContact CG-CD1 4.33Å; W405-I409 HydrophobicContact CZ2-CD1 4.37Å; W405-I409 WeakPolarHBondContact O-CG1 3.44Å; W405-I409 PolarHBondContact O-N 3.08Å; G406-I409 PolarHBondContact O-N 3Å; W407-I409 VanDerWaalsContact C-N 3.35Å; W407-I409 PolarHBondContact O-N 2.85Å; I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 2.85Å; I409-R412 WeakPolarHBondContact O-CB 3.47Å; I409-R412 PolarHBondContact O-N 3.4Å; I409-R412 VanDerWaalsContact O-N 3.08Å; I409-S413 PolarHBondContact O-N 3.3Å; I409-S413 VanDerWaalsContact O-N 3.11Å; I409-S413 PolarHBondContact O-OG 2.99Å |
| 410 | L | 93.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 24% | 0.236 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 176.8 | -69.2 | 178 | 0 | 0 | 0 | 112.2 | I374 M378 G406 W407 R412 S413 C414 L423 | I374-L410 HydrophobicContact CB-CD2 4.45Å; I374-L410 HydrophobicContact CD1-CD2 4.38Å; I374-L410 HydrophobicContact CG2-CD1 4.48Å; I374-L410 HydrophobicContact CG2-CD2 3.71Å; I374-L410 HydrophobicContact CG2-CG 3.82Å; M378-L410 HydrophobicContact CE-CD1 4.27Å; M378-L410 HydrophobicContact SD-CD1 3.52Å; M378-L410 VanDerWaalsContact SD-CD1 3.52Å; M378-L410 HydrophobicContact SD-CG 4.25Å; G406-L410 PolarHBondContact O-N 3.36Å; W407-L410 HydrophobicContact CE3-CD1 4Å; W407-L410 HydrophobicContact CZ3-CD1 4.02Å; W407-L410 PolarHBondContact O-N 3.43Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.01Å; L410-S413 PolarHBondContact O-N 3.41Å; L410-S413 PolarHBondContact O-OG 3.21Å; L410-C414 WeakPolarHBondContact O-CB 3.34Å; L410-C414 PolarHBondContact O-N 2.88Å; L410-C414 VanDerWaalsContact O-N 3.1Å; L410-L423 HydrophobicContact CB-CD1 4.21Å; L410-L423 HydrophobicContact CB-CD2 4.43Å |
| 411 | A | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | W407 S408 I409 C414 K420 L423 R424 | W407-A411 WeakPolarHBondContact O-CB 3.18Å; W407-A411 PolarHBondContact O-N 3.27Å; S408-A411 PolarHBondContact O-N 2.78Å; I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 2.85Å; A411-C414 PolarHBondContact O-N 3.42Å; A411-K420 VanDerWaalsContact O-CE 3.29Å; A411-K420 WeakPolarHBondContact O-CE 3.45Å; A411-K420 WeakPolarHBondContact O-CG 3.47Å; A411-L423 HydrophobicContact CB-CB 3.77Å; A411-R424 HydrophobicContact CB-CG 3.63Å |
| 412 | R | 87.9 | Confident | 91.2 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 177.7 | -74.1 | 169.8 | -178.4 | -151.3 | -6.5 | 112.1 | S408 I409 L410 Y799 L801 L803 | S408-R412 VanDerWaalsContact O-CG 3.23Å; S408-R412 WeakPolarHBondContact O-CG 3.39Å; S408-R412 PolarHBondContact O-N 2.93Å; I409-R412 WeakPolarHBondContact O-CB 3.47Å; I409-R412 PolarHBondContact O-N 3.4Å; I409-R412 VanDerWaalsContact O-N 3.08Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 3.01Å; R412-Y799 PolarHBondContact NH1-O 3.08Å; R412-L801 PolarHBondContact NH1-O 3.19Å; R412-L801 PolarHBondContact NH2-O 3.26Å; R412-L803 VanDerWaalsContact NH2-CG 3.3Å |
| 413 | S | 85.5 | Confident | 91.2 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 56% | 0.559 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -85.4 | -9.7 | 177.9 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | I409 L410 | I409-S413 PolarHBondContact O-N 3.3Å; I409-S413 VanDerWaalsContact O-N 3.11Å; I409-S413 PolarHBondContact O-OG 2.99Å; L410-S413 PolarHBondContact O-N 3.41Å; L410-S413 PolarHBondContact O-OG 3.21Å |
| 414 | C | 87.9 | Confident | 91 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | trans | -81.3 | 127.2 | -178.5 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | L410 A411 K420 L423 | L410-C414 WeakPolarHBondContact O-CB 3.34Å; L410-C414 PolarHBondContact O-N 2.88Å; L410-C414 VanDerWaalsContact O-N 3.1Å; A411-C414 PolarHBondContact O-N 3.42Å; C414-K420 HydrophobicContact CB-CB 4.24Å; C414-K420 WeakPolarHBondContact O-CD 3.48Å; C414-L423 HydrophobicContact CB-CD1 4.02Å | ||
| 415 | C | 79.5 | Confident | 91 | Very high | 95 Ų | 95 | 53 Ų | 53 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | trans | -89.2 | -20.8 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | V417 | C415-V417 PolarHBondContact O-N 2.97Š| ||
| 416 | V | 85.7 | Confident | 91 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | trans | -82.5 | 113.4 | -177.6 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | D418 K419 K420 | V416-D418 PolarHBondContact O-N 3.29Å; V416-K419 HydrophobicContact CB-CB 4.09Å; V416-K419 HydrophobicContact CG1-CB 4.12Å; V416-K419 PolarHBondContact O-N 2.88Å; V416-K420 VanDerWaalsContact O-CB 3.3Å; V416-K420 WeakPolarHBondContact O-CB 3.28Å; V416-K420 PolarHBondContact O-N 2.9Å | ||
| 417 | V | 80.9 | Confident | 91.1 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 56% | 0.558 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -54.9 | -49.4 | -171.9 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | C415 K419 K420 S421 | C415-V417 PolarHBondContact O-N 2.97Å; V417-K419 PolarHBondContact O-N 3.35Å; V417-K420 WeakPolarHBondContact O-CB 3.39Å; V417-K420 PolarHBondContact O-N 3.47Å; V417-S421 PolarHBondContact O-N 2.97Å |
| 418 | D | 87.7 | Confident | 91.1 | Very high | 131 Ų | 131 | 55.6 Ų | 55.6 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | -179 | -63.3 | -26.5 | 0 | 0 | 0 | 111 | V416 K420 S421 E422 | V416-D418 PolarHBondContact O-N 3.29Å; D418-K420 VanDerWaalsContact C-N 3.35Å; D418-K420 PolarHBondContact O-N 3.44Å; D418-S421 PolarHBondContact O-N 3.15Å; D418-S421 PolarHBondContact O-OG 3.41Å; D418-E422 PolarHBondContact O-N 2.96Å; D418-E422 VanDerWaalsContact O-N 3.09Å |
| 419 | K | 91.5 | Very high | 91.3 | Very high | 85 Ų | 85 | 62 Ų | 62 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.7 | -172.2 | 58.9 | 180 | 180 | 0 | 111.8 | V416 V417 S421 E422 L423 | V416-K419 HydrophobicContact CB-CB 4.09Å; V416-K419 HydrophobicContact CG1-CB 4.12Å; V416-K419 PolarHBondContact O-N 2.88Å; V417-K419 PolarHBondContact O-N 3.35Å; K419-S421 VanDerWaalsContact C-N 3.34Å; K419-S421 PolarHBondContact O-N 2.69Å; K419-E422 VanDerWaalsContact CD-OE2 3.27Å; K419-E422 WeakPolarHBondContact CD-OE2 3.34Å; K419-E422 IonicContact NZ-OE1 2.76Å; K419-E422 PolarHBondContact NZ-OE1 3.07Å; K419-E422 IonicContact NZ-OE2 3.7Å; K419-E422 PolarHBondContact NZ-OE2 3.37Å; K419-E422 WeakPolarHBondContact O-CB 3.25Å; K419-E422 PolarHBondContact O-N 2.93Å; K419-L423 HydrophobicContact CG-CD1 4.11Å; K419-L423 HydrophobicContact CG-CG 4.42Å; K419-L423 VanDerWaalsContact O-CG 3.23Å; K419-L423 WeakPolarHBondContact O-CG 3.46Å; K419-L423 PolarHBondContact O-N 3.21Å |
| 420 | K | 90.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 62 Ų | 62 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.7 | -175.3 | 171.6 | -163 | 156.8 | 0 | 110.9 | A411 C414 V416 V417 D418 E422 L423 R424 | A411-K420 VanDerWaalsContact O-CE 3.29Å; A411-K420 WeakPolarHBondContact O-CE 3.45Å; A411-K420 WeakPolarHBondContact O-CG 3.47Å; C414-K420 HydrophobicContact CB-CB 4.24Å; C414-K420 WeakPolarHBondContact O-CD 3.48Å; V416-K420 VanDerWaalsContact O-CB 3.3Å; V416-K420 WeakPolarHBondContact O-CB 3.28Å; V416-K420 PolarHBondContact O-N 2.9Å; V417-K420 WeakPolarHBondContact O-CB 3.39Å; V417-K420 PolarHBondContact O-N 3.47Å; D418-K420 VanDerWaalsContact C-N 3.35Å; D418-K420 PolarHBondContact O-N 3.44Å; K420-E422 VanDerWaalsContact C-N 3.35Å; K420-E422 PolarHBondContact O-N 3.21Å; K420-L423 PolarHBondContact O-N 3.41Å; K420-R424 WeakPolarHBondContact O-CG 3.45Å; K420-R424 PolarHBondContact O-N 3.25Å |
| 421 | S | 90 | Very high | 91.7 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.4 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | V417 D418 K419 R424 N425 | V417-S421 PolarHBondContact O-N 2.97Å; D418-S421 PolarHBondContact O-N 3.15Å; D418-S421 PolarHBondContact O-OG 3.41Å; K419-S421 VanDerWaalsContact C-N 3.34Å; K419-S421 PolarHBondContact O-N 2.69Å; S421-R424 PolarHBondContact O-N 2.97Å; S421-N425 VanDerWaalsContact O-CG 3.27Å; S421-N425 PolarHBondContact O-N 2.75Å; S421-N425 PolarHBondContact O-ND2 2.81Å |
| 422 | E | 94.8 | Very high | 92 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.4 | -168.3 | -159.4 | 157.5 | 0 | 0 | 111.6 | D418 K419 K420 R424 N425 R426 | D418-E422 PolarHBondContact O-N 2.96Å; D418-E422 VanDerWaalsContact O-N 3.09Å; K419-E422 VanDerWaalsContact CD-OE2 3.27Å; K419-E422 WeakPolarHBondContact CD-OE2 3.34Å; K419-E422 IonicContact NZ-OE1 2.76Å; K419-E422 PolarHBondContact NZ-OE1 3.07Å; K419-E422 IonicContact NZ-OE2 3.7Å; K419-E422 PolarHBondContact NZ-OE2 3.37Å; K419-E422 WeakPolarHBondContact O-CB 3.25Å; K419-E422 PolarHBondContact O-N 2.93Å; K420-E422 VanDerWaalsContact C-N 3.35Å; K420-E422 PolarHBondContact O-N 3.21Å; E422-R424 PolarHBondContact O-N 3.35Å; E422-N425 PolarHBondContact O-N 3.49Å; E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.44Å; E422-R426 IonicContact OE1-CZ 3.03Å; E422-R426 VanDerWaalsContact OE1-CZ 3.29Å; E422-R426 IonicContact OE1-NE 3.29Å; E422-R426 PolarHBondContact OE1-NE 3.36Å; E422-R426 IonicContact OE1-NH2 2.64Å; E422-R426 PolarHBondContact OE1-NH2 3.44Å |
| 423 | L | 95.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 179.4 | -66.7 | 167.9 | 0 | 0 | 0 | 111.6 | W407 L410 A411 C414 K419 K420 N425 R426 A427 | W407-L423 HydrophobicContact CE3-CD2 3.44Å; W407-L423 VanDerWaalsContact CE3-CD2 3.44Å; W407-L423 HydrophobicContact CZ3-CD2 3.48Å; W407-L423 VanDerWaalsContact CZ3-CD2 3.48Å; L410-L423 HydrophobicContact CB-CD1 4.21Å; L410-L423 HydrophobicContact CB-CD2 4.43Å; A411-L423 HydrophobicContact CB-CB 3.77Å; C414-L423 HydrophobicContact CB-CD1 4.02Å; K419-L423 HydrophobicContact CG-CD1 4.11Å; K419-L423 HydrophobicContact CG-CG 4.42Å; K419-L423 VanDerWaalsContact O-CG 3.23Å; K419-L423 WeakPolarHBondContact O-CG 3.46Å; K419-L423 PolarHBondContact O-N 3.21Å; K420-L423 PolarHBondContact O-N 3.41Å; L423-N425 PolarHBondContact O-N 3.24Å; L423-R426 WeakPolarHBondContact O-CB 3.32Å; L423-R426 PolarHBondContact O-N 2.78Å; L423-A427 PolarHBondContact O-N 2.73Å |
| 424 | R | 93.9 | Very high | 93 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 13% | 0.125 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.7 | -64.9 | -175.8 | 173.3 | 174.6 | -8.6 | 112.2 | A411 K420 S421 E422 R426 A427 V428 E451 T454 Q455 | A411-R424 HydrophobicContact CB-CG 3.63Å; K420-R424 WeakPolarHBondContact O-CG 3.45Å; K420-R424 PolarHBondContact O-N 3.25Å; S421-R424 PolarHBondContact O-N 2.97Å; E422-R424 PolarHBondContact O-N 3.35Å; R424-R426 VanDerWaalsContact C-N 3.3Å; R424-R426 PolarHBondContact O-N 2.92Å; R424-A427 WeakPolarHBondContact O-CB 3.49Å; R424-A427 PolarHBondContact O-N 3.49Å; R424-A427 VanDerWaalsContact O-N 3.17Å; R424-V428 WeakPolarHBondContact O-CG2 3.29Å; R424-V428 PolarHBondContact O-N 2.92Å; R424-E451 VanDerWaalsContact CD-OE1 3.27Å; R424-E451 WeakPolarHBondContact CD-OE1 3.38Å; R424-E451 WeakPolarHBondContact CG-OE1 3.49Å; R424-E451 IonicContact NE-OE1 3.25Å; R424-T454 PolarHBondContact NH1-O 3.31Å; R424-T454 VanDerWaalsContact NH1-O 3.1Å; R424-Q455 HydrophobicContact CB-CG 4.35Å; R424-Q455 VanDerWaalsContact CB-NE2 3.26Å |
| 425 | N | 96 | Very high | 93.4 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 177.2 | -71.7 | -20.2 | 0 | 0 | 0 | 112.2 | S421 E422 L423 K429 Q455 | S421-N425 VanDerWaalsContact O-CG 3.27Å; S421-N425 PolarHBondContact O-N 2.75Å; S421-N425 PolarHBondContact O-ND2 2.81Å; E422-N425 PolarHBondContact O-N 3.49Å; L423-N425 PolarHBondContact O-N 3.24Å; N425-K429 WeakPolarHBondContact O-CB 3.25Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-Q455 PolarHBondContact OD1-NE2 2.83Å |
| 426 | R | 97.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 170.4 | -67.7 | 177.6 | -176.1 | -147.4 | -0.9 | 111.1 | W407 E422 L423 R424 V428 K429 E430 | W407-R426 HydrophobicContact CD2-CB 4.02Å; W407-R426 HydrophobicContact CG-CB 3.98Å; E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.44Å; E422-R426 IonicContact OE1-CZ 3.03Å; E422-R426 VanDerWaalsContact OE1-CZ 3.29Å; E422-R426 IonicContact OE1-NE 3.29Å; E422-R426 PolarHBondContact OE1-NE 3.36Å; E422-R426 IonicContact OE1-NH2 2.64Å; E422-R426 PolarHBondContact OE1-NH2 3.44Å; L423-R426 WeakPolarHBondContact O-CB 3.32Å; L423-R426 PolarHBondContact O-N 2.78Å; R424-R426 VanDerWaalsContact C-N 3.3Å; R424-R426 PolarHBondContact O-N 2.92Å; R426-V428 PolarHBondContact O-N 3.09Å; R426-K429 WeakPolarHBondContact O-CB 3.24Å; R426-K429 PolarHBondContact O-N 3.02Å; R426-E430 WeakPolarHBondContact O-CG 3.34Å; R426-E430 PolarHBondContact O-N 3.4Å |
| 427 | A | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G404 W407 S408 L423 R424 K429 E430 Y431 E451 | G404-A427 WeakPolarHBondContact O-CB 3.39Å; W407-A427 HydrophobicContact CB-CB 3.75Å; S408-A427 WeakPolarHBondContact OG-CB 3.48Å; L423-A427 PolarHBondContact O-N 2.73Å; R424-A427 WeakPolarHBondContact O-CB 3.49Å; R424-A427 PolarHBondContact O-N 3.49Å; R424-A427 VanDerWaalsContact O-N 3.17Å; A427-K429 VanDerWaalsContact C-N 3.3Å; A427-K429 PolarHBondContact O-N 3.2Å; A427-E430 PolarHBondContact O-N 3.13Å; A427-Y431 HydrophobicContact CB-CE2 4.12Å; A427-Y431 VanDerWaalsContact O-CD2 3.22Å; A427-Y431 WeakPolarHBondContact O-CD2 3.38Å; A427-Y431 VanDerWaalsContact O-CG 3.29Å; A427-Y431 PolarHBondContact O-N 3.21Å; A427-E451 HydrophobicContact CB-CG 4.33Å |
| 428 | V | 97.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | R424 R426 Y431 R432 L448 E451 L452 | R424-V428 WeakPolarHBondContact O-CG2 3.29Å; R424-V428 PolarHBondContact O-N 2.92Å; R426-V428 PolarHBondContact O-N 3.09Å; V428-Y431 PolarHBondContact O-N 3.13Å; V428-R432 WeakPolarHBondContact O-CG 3.33Å; V428-R432 PolarHBondContact O-N 3.48Å; V428-L448 HydrophobicContact CB-CD1 4.33Å; V428-L448 HydrophobicContact CG1-CD1 3.82Å; V428-L448 HydrophobicContact CG2-CD1 4.3Å; V428-E451 HydrophobicContact CG2-CB 4.17Å; V428-E451 HydrophobicContact CG2-CG 3.76Å; V428-L452 HydrophobicContact CG1-CD2 4.47Å; V428-L452 HydrophobicContact CG2-CD2 4.4Å |
| 429 | K | 98.2 | Very high | 95.7 | Very high | 135 Ų | 135 | 53.8 Ų | 53.8 | 59% | 0.587 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 177.4 | -174.4 | -173.8 | 176.2 | -169.8 | 0 | 111.4 | N425 R426 A427 Y431 R432 I433 | N425-K429 WeakPolarHBondContact O-CB 3.25Å; N425-K429 PolarHBondContact O-N 2.95Å; R426-K429 WeakPolarHBondContact O-CB 3.24Å; R426-K429 PolarHBondContact O-N 3.02Å; A427-K429 VanDerWaalsContact C-N 3.3Å; A427-K429 PolarHBondContact O-N 3.2Å; K429-Y431 PolarHBondContact O-N 3.07Å; K429-R432 PolarHBondContact O-N 2.73Å; K429-I433 HydrophobicContact CG-CD1 4.3Å; K429-I433 WeakPolarHBondContact O-CG1 3.37Å; K429-I433 PolarHBondContact O-N 3.39Å |
| 430 | E | 97.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 178.6 | -64.8 | -57 | 145 | 0 | 0 | 112 | H400 V403 R426 A427 R432 I433 A434 | H400-E430 IonicContact CE1-OE2 2.73Å; H400-E430 IonicContact CG-OE2 3.25Å; H400-E430 IonicContact ND1-OE2 3.49Å; H400-E430 PolarHBondContact ND1-OE2 3.25Å; V403-E430 HydrophobicContact CB-CG 4.41Å; V403-E430 HydrophobicContact CG1-CG 3.94Å; R426-E430 WeakPolarHBondContact O-CG 3.34Å; R426-E430 PolarHBondContact O-N 3.4Å; A427-E430 PolarHBondContact O-N 3.13Å; E430-R432 PolarHBondContact O-N 2.69Å; E430-I433 PolarHBondContact O-N 3.42Å; E430-A434 PolarHBondContact O-N 3.3Å |
| 431 | Y | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 176 | -63.1 | -36.7 | 0 | 0 | 0 | 113.1 | L401 G404 W405 S408 A427 V428 K429 I433 A434 I435 H447 E451 | L401-Y431 HydrophobicContact CD1-CD1 3.78Å; L401-Y431 HydrophobicContact CD1-CE1 3.86Å; L401-Y431 WeakPolarHBondContact O-CE1 3.47Å; G404-Y431 VanDerWaalsContact C-CZ 3.46Å; G404-Y431 VanDerWaalsContact C-OH 3.31Å; G404-Y431 PolarHBondContact O-OH 3.35Å; W405-Y431 WeakPolarHBondContact CA-OH 3.37Å; W405-Y431 PolarHBondContact N-OH 3.42Å; S408-Y431 PolarHBondContact OG-OH 3.16Å; A427-Y431 HydrophobicContact CB-CE2 4.12Å; A427-Y431 VanDerWaalsContact O-CD2 3.22Å; A427-Y431 WeakPolarHBondContact O-CD2 3.38Å; A427-Y431 VanDerWaalsContact O-CG 3.29Å; A427-Y431 PolarHBondContact O-N 3.21Å; V428-Y431 PolarHBondContact O-N 3.13Å; K429-Y431 PolarHBondContact O-N 3.07Å; Y431-I433 VanDerWaalsContact C-N 3.33Å; Y431-A434 PolarHBondContact O-N 3.32Å; Y431-I435 VanDerWaalsContact O-CG1 3.3Å; Y431-I435 WeakPolarHBondContact O-CG1 3.36Å; Y431-I435 PolarHBondContact O-N 3.4Å; Y431-H447 HydrophobicContact CD1-CB 4Å; Y431-H447 HydrophobicContact CD2-CB 4.24Å; Y431-H447 HydrophobicContact CE1-CB 3.7Å; Y431-H447 HydrophobicContact CE2-CB 3.95Å; Y431-H447 HydrophobicContact CG-CB 4.25Å; Y431-E451 HydrophobicContact CD2-CB 4.42Å; Y431-E451 HydrophobicContact CE2-CB 4.18Å |
| 432 | R | 98.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 173.4 | -71.9 | -176.2 | -164.1 | -92.8 | 3.8 | 111.9 | V428 K429 E430 I435 Q436 L448 E460 | V428-R432 WeakPolarHBondContact O-CG 3.33Å; V428-R432 PolarHBondContact O-N 3.48Å; K429-R432 PolarHBondContact O-N 2.73Å; E430-R432 PolarHBondContact O-N 2.69Å; R432-I435 PolarHBondContact O-N 2.9Å; R432-Q436 WeakPolarHBondContact O-CB 3.38Å; R432-Q436 VanDerWaalsContact O-CG 3.27Å; R432-Q436 WeakPolarHBondContact O-CG 3.38Å; R432-Q436 PolarHBondContact O-N 3.06Å; R432-L448 HydrophobicContact CG-CD1 4.31Å; R432-L448 HydrophobicContact CG-CD2 4.02Å; R432-E460 IonicContact CZ-OE1 3.86Å; R432-E460 VanDerWaalsContact CZ-OE1 3.25Å; R432-E460 IonicContact NH1-OE1 3.75Å; R432-E460 PolarHBondContact NH1-OE1 2.9Å; R432-E460 IonicContact NH2-OE1 3.38Å; R432-E460 PolarHBondContact NH2-OE1 3.34Å; R432-E460 IonicContact NH2-OE2 2.78Å; R432-E460 PolarHBondContact NH2-OE2 3.31Å |
| 433 | I | 97.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 53 Ų | 53 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 174.5 | -64.2 | 165 | 0 | 0 | 0 | 110 | H400 K429 E430 Y431 I435 Q436 L437 | H400-I433 HydrophobicContact CB-CG2 4.46Å; K429-I433 HydrophobicContact CG-CD1 4.3Å; K429-I433 WeakPolarHBondContact O-CG1 3.37Å; K429-I433 PolarHBondContact O-N 3.39Å; E430-I433 PolarHBondContact O-N 3.42Å; Y431-I433 VanDerWaalsContact C-N 3.33Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 3.28Å; I433-Q436 PolarHBondContact O-N 2.69Å; I433-Q436 VanDerWaalsContact O-N 3.14Å; I433-L437 HydrophobicContact CG2-CD1 3.82Å; I433-L437 HydrophobicContact CG2-CG 4.32Å; I433-L437 WeakPolarHBondContact O-CG 3.31Å; I433-L437 PolarHBondContact O-N 3.29Å |
| 434 | A | 96.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A397 H400 L401 E430 Y431 Q436 L437 D438 | A397-A434 WeakPolarHBondContact O-CB 3.12Å; H400-A434 HydrophobicContact CB-CB 4.01Å; L401-A434 HydrophobicContact CB-CB 4.3Å; E430-A434 PolarHBondContact O-N 3.3Å; Y431-A434 PolarHBondContact O-N 3.32Å; A434-Q436 PolarHBondContact O-N 3.02Å; A434-L437 PolarHBondContact O-N 3.38Å; A434-D438 PolarHBondContact O-N 2.85Å |
| 435 | I | 96.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177 | -67.5 | 163.7 | 0 | 0 | 0 | 112.1 | Y431 R432 I433 L437 D438 P439 W445 L448 | Y431-I435 VanDerWaalsContact O-CG1 3.3Å; Y431-I435 WeakPolarHBondContact O-CG1 3.36Å; Y431-I435 PolarHBondContact O-N 3.4Å; R432-I435 PolarHBondContact O-N 2.9Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 3.28Å; I435-L437 VanDerWaalsContact C-N 3.33Å; I435-D438 CarbonylContact O-C 3.47Å; I435-D438 VanDerWaalsContact O-C 3.3Å; I435-P439 WeakPolarHBondContact O-CA 3.29Å; I435-P439 WeakPolarHBondContact O-CD 3.47Å; I435-P439 WeakPolarHBondContact O-CG 3.33Å; I435-P439 VanDerWaalsContact O-N 3.09Å; I435-W445 HydrophobicContact CD1-CD2 4.03Å; I435-W445 HydrophobicContact CD1-CE3 4.09Å; I435-W445 HydrophobicContact CD1-CG 4.32Å; I435-W445 HydrophobicContact CG1-CD2 4.29Å; I435-W445 HydrophobicContact CG1-CG 4.38Å; I435-W445 HydrophobicContact CG2-CD2 4.06Å; I435-W445 VanDerWaalsContact CG2-CE2 3.44Å; I435-W445 HydrophobicContact CG2-CE3 4.46Å; I435-W445 HydrophobicContact CG2-CH2 3.73Å; I435-W445 HydrophobicContact CG2-CZ2 3.27Å; I435-W445 HydrophobicContact CG2-CZ3 4.3Å; I435-L448 HydrophobicContact CD1-CB 3.94Å; I435-L448 HydrophobicContact CD1-CD2 3.47Å; I435-L448 VanDerWaalsContact CD1-CD2 3.47Å; I435-L448 HydrophobicContact CD1-CG 4.34Å |
| 436 | Q | 96.8 | Very high | 96.5 | Very high | 151 Ų | 151 | 49.3 Ų | 49.3 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68 | -34.3 | 177 | -76.4 | 173.2 | 1.1 | 0 | 0 | 112.4 | R432 I433 A434 | R432-Q436 WeakPolarHBondContact O-CB 3.38Å; R432-Q436 VanDerWaalsContact O-CG 3.27Å; R432-Q436 WeakPolarHBondContact O-CG 3.38Å; R432-Q436 PolarHBondContact O-N 3.06Å; I433-Q436 PolarHBondContact O-N 2.69Å; I433-Q436 VanDerWaalsContact O-N 3.14Å; A434-Q436 PolarHBondContact O-N 3.02Å |
| 437 | L | 95.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -78.3 | -36.8 | 179 | -69.7 | 171.1 | 0 | 0 | 0 | 112.5 | M396 A397 I433 A434 I435 | M396-L437 HydrophobicContact CB-CD1 4.25Å; M396-L437 HydrophobicContact CE-CD1 4.42Å; M396-L437 HydrophobicContact CG-CD1 3.82Å; M396-L437 HydrophobicContact SD-CD1 4.04Å; M396-L437 HydrophobicContact SD-CD2 4.27Å; A397-L437 HydrophobicContact CB-CB 3.7Å; I433-L437 HydrophobicContact CG2-CD1 3.82Å; I433-L437 HydrophobicContact CG2-CG 4.32Å; I433-L437 WeakPolarHBondContact O-CG 3.31Å; I433-L437 PolarHBondContact O-N 3.29Å; A434-L437 PolarHBondContact O-N 3.38Å; I435-L437 VanDerWaalsContact C-N 3.33Å |
| 438 | D | 94.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | trans | -138.8 | 88.2 | 175.4 | -171.6 | 1.8 | 0 | 0 | 0 | 110.9 | A397 A434 I435 D440 D441 | A397-D438 HydrophobicContact CB-CB 3.46Å; A397-D438 VanDerWaalsContact CB-CB 3.46Å; A434-D438 PolarHBondContact O-N 2.85Å; I435-D438 CarbonylContact O-C 3.47Å; I435-D438 VanDerWaalsContact O-C 3.3Å; D438-D440 PolarHBondContact O-N 3.37Å; D438-D440 PolarHBondContact OD1-N 3.47Å; D438-D441 HydrophobicContact CB-CB 4.44Å; D438-D441 PolarHBondContact O-N 3.42Å | ||
| 439 | P | 95.7 | Very high | 96.5 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 45% | 0.448 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.5 | -179.9 | -22.3 | 33.5 | 0 | 0 | 0 | 114.2 | I435 W445 L471 | I435-P439 WeakPolarHBondContact O-CA 3.29Å; I435-P439 WeakPolarHBondContact O-CD 3.47Å; I435-P439 WeakPolarHBondContact O-CG 3.33Å; I435-P439 VanDerWaalsContact O-N 3.09Å; P439-W445 PolarHBondContact O-NE1 3.28Å; P439-L471 WeakPolarHBondContact O-CD1 3.42Å |
| 440 | D | 94.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 37.8 Ų | 37.8 | 67% | 0.674 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.7 | -175.3 | -65.7 | -31.3 | 0 | 0 | 0 | 112.5 | D438 Y442 | D438-D440 PolarHBondContact O-N 3.37Å; D438-D440 PolarHBondContact OD1-N 3.47Å; D440-Y442 PolarHBondContact O-N 3.48Å; D440-Y442 VanDerWaalsContact O-N 3.17Å |
| 441 | D | 93.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | trans | -77.5 | 99.4 | 173.4 | -172.7 | 4.8 | 0 | 0 | 0 | 111.3 | R398 D438 L443 G444 | R398-D441 IonicContact CZ-OD2 3.35Å; R398-D441 IonicContact NH1-OD1 3.95Å; R398-D441 IonicContact NH1-OD2 2.61Å; R398-D441 PolarHBondContact NH1-OD2 3.18Å; D438-D441 HydrophobicContact CB-CB 4.44Å; D438-D441 PolarHBondContact O-N 3.42Å; D441-L443 PolarHBondContact O-N 3.07Å; D441-L443 WeakPolarHBondContact OD1-CB 3.32Å; D441-L443 PolarHBondContact OD1-N 3.34Å; D441-G444 PolarHBondContact O-N 3.31Å | ||
| 442 | Y | 95 | Very high | 96.3 | Very high | 60 Ų | 60 | 36.4 Ų | 36.4 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -24.5 | 176.8 | 75.7 | -87.8 | 0 | 0 | 0 | 113.7 | D440 Y446 S468 M472 H475 | D440-Y442 PolarHBondContact O-N 3.48Å; D440-Y442 VanDerWaalsContact O-N 3.17Å; Y442-Y446 WeakPolarHBondContact O-CB 3.48Å; Y442-Y446 PolarHBondContact O-N 3.25Å; Y442-S468 PolarHBondContact O-OG 3.41Å; Y442-M472 HydrophobicContact CD1-CB 3.79Å; Y442-M472 HydrophobicContact CD1-CG 4.22Å; Y442-M472 HydrophobicContact CD2-CB 3.88Å; Y442-M472 HydrophobicContact CD2-CG 4.38Å; Y442-M472 HydrophobicContact CE1-CB 4.33Å; Y442-M472 HydrophobicContact CE1-CG 4.25Å; Y442-M472 HydrophobicContact CE2-CB 4.4Å; Y442-M472 HydrophobicContact CE2-CG 4.42Å; Y442-M472 HydrophobicContact CG-CB 3.55Å; Y442-M472 HydrophobicContact CG-CG 4.29Å; Y442-H475 HydrophobicContact CD2-CB 4.31Å; Y442-H475 AromaticContact CD2-ND1 3.99Å; Y442-H475 HydrophobicContact CE2-CB 4.12Å; Y442-H475 AromaticContact CE2-CD2 3.85Å; Y442-H475 AromaticContact CE2-CG 3.69Å; Y442-H475 AromaticContact CE2-ND1 3.83Å |
| 443 | L | 94.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 32 Ų | 32 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.9 | -37.9 | 179.4 | -70.5 | 168 | 0 | 0 | 0 | 111.1 | L401 D441 W445 Y446 H447 | L401-L443 HydrophobicContact CD2-CB 4.02Å; D441-L443 PolarHBondContact O-N 3.07Å; D441-L443 WeakPolarHBondContact OD1-CB 3.32Å; D441-L443 PolarHBondContact OD1-N 3.34Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.2Å; L443-Y446 PolarHBondContact O-N 3.27Å; L443-H447 PolarHBondContact O-N 3.48Å; L443-H447 PolarHBondContact O-ND1 3.21Å |
| 444 | G | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.1 | -50 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D441 H447 L448 | D441-G444 PolarHBondContact O-N 3.31Å; G444-H447 PolarHBondContact O-N 3.29Å; G444-L448 WeakPolarHBondContact O-CB 3.38Å; G444-L448 PolarHBondContact O-N 2.72Å; G444-L448 VanDerWaalsContact O-N 3.07Å |
| 445 | W | 98 | Very high | 95.5 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 19% | 0.186 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 175.4 | -65 | 98.6 | 0 | 0 | 0 | 112.9 | I435 P439 L443 H447 L448 A449 V464 Q467 L471 | I435-W445 HydrophobicContact CD1-CD2 4.03Å; I435-W445 HydrophobicContact CD1-CE3 4.09Å; I435-W445 HydrophobicContact CD1-CG 4.32Å; I435-W445 HydrophobicContact CG1-CD2 4.29Å; I435-W445 HydrophobicContact CG1-CG 4.38Å; I435-W445 HydrophobicContact CG2-CD2 4.06Å; I435-W445 VanDerWaalsContact CG2-CE2 3.44Å; I435-W445 HydrophobicContact CG2-CE3 4.46Å; I435-W445 HydrophobicContact CG2-CH2 3.73Å; I435-W445 HydrophobicContact CG2-CZ2 3.27Å; I435-W445 HydrophobicContact CG2-CZ3 4.3Å; P439-W445 PolarHBondContact O-NE1 3.28Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.2Å; W445-H447 PolarHBondContact O-N 2.94Å; W445-L448 PolarHBondContact O-N 2.76Å; W445-A449 VanDerWaalsContact O-CB 3.3Å; W445-A449 WeakPolarHBondContact O-CB 3.47Å; W445-A449 PolarHBondContact O-N 3.07Å; W445-V464 HydrophobicContact CB-CG1 4.48Å; W445-V464 HydrophobicContact CE3-CB 4.36Å; W445-V464 HydrophobicContact CE3-CG1 3.74Å; W445-V464 HydrophobicContact CZ3-CG1 4.45Å; W445-V464 WeakPolarHBondContact O-CG1 3.32Å; W445-Q467 HydrophobicContact CD2-CB 3.66Å; W445-Q467 HydrophobicContact CD2-CG 4.47Å; W445-Q467 HydrophobicContact CE3-CB 3.48Å; W445-Q467 VanDerWaalsContact CE3-CB 3.48Å; W445-Q467 HydrophobicContact CE3-CG 3.93Å; W445-Q467 HydrophobicContact CG-CB 4.2Å; W445-Q467 HydrophobicContact CH2-CB 4.33Å; W445-Q467 HydrophobicContact CH2-CG 4.14Å; W445-Q467 HydrophobicContact CZ2-CB 4.44Å; W445-Q467 HydrophobicContact CZ3-CB 3.87Å; W445-Q467 HydrophobicContact CZ3-CG 3.78Å; W445-L471 VanDerWaalsContact CD1-CD1 3.41Å; W445-L471 HydrophobicContact CG-CD1 4.38Å |
| 446 | Y | 97.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -47.9 | 178.6 | 167.6 | -108 | 0 | 0 | 0 | 112 | Y442 L443 L448 A449 V450 H475 N477 T478 L481 P802 L803 | Y442-Y446 WeakPolarHBondContact O-CB 3.48Å; Y442-Y446 PolarHBondContact O-N 3.25Å; L443-Y446 PolarHBondContact O-N 3.27Å; Y446-L448 PolarHBondContact O-N 3.11Å; Y446-A449 PolarHBondContact O-N 2.79Å; Y446-V450 HydrophobicContact CD2-CG2 4.1Å; Y446-V450 HydrophobicContact CE1-CG2 4.32Å; Y446-V450 HydrophobicContact CE2-CG2 3.6Å; Y446-V450 WeakPolarHBondContact O-CG2 3.33Å; Y446-V450 PolarHBondContact O-N 2.98Å; Y446-H475 AromaticContact CD1-CE1 3.97Å; Y446-H475 AromaticContact CD2-CE1 3.94Å; Y446-H475 AromaticContact CG-CE1 3.82Å; Y446-N477 HydrophobicContact CE2-CB 3.74Å; Y446-N477 WeakPolarHBondContact OH-CB 3.43Å; Y446-T478 WeakPolarHBondContact CD2-OG1 3.46Å; Y446-L481 HydrophobicContact CD2-CD2 4.37Å; Y446-L481 HydrophobicContact CE2-CD2 4.49Å; Y446-P802 WeakPolarHBondContact CE1-O 3.48Å; Y446-P802 PolarHBondContact OH-O 3.41Å; Y446-L803 HydrophobicContact CE1-CD2 4.2Å |
| 447 | H | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | -178.3 | -72 | 67.5 | 0 | 0 | 0 | 111.6 | L401 Y431 L443 G444 W445 A449 V450 E451 L803 G804 | L401-H447 HydrophobicContact CD1-CB 4.01Å; Y431-H447 HydrophobicContact CD1-CB 4Å; Y431-H447 HydrophobicContact CD2-CB 4.24Å; Y431-H447 HydrophobicContact CE1-CB 3.7Å; Y431-H447 HydrophobicContact CE2-CB 3.95Å; Y431-H447 HydrophobicContact CG-CB 4.25Å; L443-H447 PolarHBondContact O-N 3.48Å; L443-H447 PolarHBondContact O-ND1 3.21Å; G444-H447 PolarHBondContact O-N 3.29Å; W445-H447 PolarHBondContact O-N 2.94Å; H447-A449 VanDerWaalsContact C-N 3.34Å; H447-A449 PolarHBondContact O-N 3.36Å; H447-V450 PolarHBondContact O-N 2.7Å; H447-E451 PolarHBondContact O-N 3.31Å; H447-L803 HydrophobicContact CB-CD2 4.24Å; H447-G804 VanDerWaalsContact NE2-CA 3.29Å; H447-G804 WeakPolarHBondContact NE2-CA 3.4Å; H447-G804 PolarHBondContact NE2-N 3.46Å |
| 448 | L | 98 | Very high | 94.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 173.4 | 179.1 | 59.4 | 0 | 0 | 0 | 111.3 | V428 R432 I435 G444 W445 Y446 V450 E451 L452 V464 | V428-L448 HydrophobicContact CB-CD1 4.33Å; V428-L448 HydrophobicContact CG1-CD1 3.82Å; V428-L448 HydrophobicContact CG2-CD1 4.3Å; R432-L448 HydrophobicContact CG-CD1 4.31Å; R432-L448 HydrophobicContact CG-CD2 4.02Å; I435-L448 HydrophobicContact CD1-CB 3.94Å; I435-L448 HydrophobicContact CD1-CD2 3.47Å; I435-L448 VanDerWaalsContact CD1-CD2 3.47Å; I435-L448 HydrophobicContact CD1-CG 4.34Å; G444-L448 WeakPolarHBondContact O-CB 3.38Å; G444-L448 PolarHBondContact O-N 2.72Å; G444-L448 VanDerWaalsContact O-N 3.07Å; W445-L448 PolarHBondContact O-N 2.76Å; Y446-L448 PolarHBondContact O-N 3.11Å; L448-V450 PolarHBondContact O-N 3.36Å; L448-E451 PolarHBondContact O-N 3.15Å; L448-L452 HydrophobicContact CD1-CD1 3.91Å; L448-L452 HydrophobicContact CD1-CG 3.94Å; L448-L452 HydrophobicContact CD2-CD1 4.45Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.29Å; L448-L452 WeakPolarHBondContact O-CB 3.49Å; L448-L452 VanDerWaalsContact O-CG 3.31Å; L448-L452 WeakPolarHBondContact O-CG 2.88Å; L448-L452 PolarHBondContact O-N 3.32Å; L448-V464 HydrophobicContact CB-CG1 3.92Å; L448-V464 HydrophobicContact CD2-CG1 3.86Å; L448-V464 HydrophobicContact CD2-CG2 4.21Å; L448-V464 HydrophobicContact CG-CG1 3.84Å |
| 449 | A | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | W445 Y446 H447 A453 V464 C465 L481 | W445-A449 VanDerWaalsContact O-CB 3.3Å; W445-A449 WeakPolarHBondContact O-CB 3.47Å; W445-A449 PolarHBondContact O-N 3.07Å; Y446-A449 PolarHBondContact O-N 2.79Å; H447-A449 VanDerWaalsContact C-N 3.34Å; H447-A449 PolarHBondContact O-N 3.36Å; A449-A453 VanDerWaalsContact O-CB 3.24Å; A449-A453 WeakPolarHBondContact O-CB 3.45Å; A449-A453 PolarHBondContact O-N 3.26Å; A449-V464 HydrophobicContact CB-CB 4.1Å; A449-V464 HydrophobicContact CB-CG1 3.76Å; A449-C465 HydrophobicContact CB-CB 3.98Å; A449-L481 HydrophobicContact CB-CD2 3.49Å; A449-L481 VanDerWaalsContact CB-CD2 3.49Å |
| 450 | V | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Y446 H447 L448 A453 T454 L481 L801 L803 | Y446-V450 HydrophobicContact CD2-CG2 4.1Å; Y446-V450 HydrophobicContact CE1-CG2 4.32Å; Y446-V450 HydrophobicContact CE2-CG2 3.6Å; Y446-V450 WeakPolarHBondContact O-CG2 3.33Å; Y446-V450 PolarHBondContact O-N 2.98Å; H447-V450 PolarHBondContact O-N 2.7Å; L448-V450 PolarHBondContact O-N 3.36Å; V450-A453 WeakPolarHBondContact O-CB 3.3Å; V450-A453 PolarHBondContact O-N 3.2Å; V450-T454 HydrophobicContact CG1-CG2 4.41Å; V450-T454 WeakPolarHBondContact O-CG2 3.27Å; V450-T454 PolarHBondContact O-N 3.29Å; V450-T454 PolarHBondContact O-OG1 2.96Å; V450-L481 HydrophobicContact CG2-CD1 4.32Å; V450-L481 HydrophobicContact CG2-CD2 3.76Å; V450-L801 HydrophobicContact CG1-CB 4.43Å; V450-L801 HydrophobicContact CG2-CB 4.32Å; V450-L801 HydrophobicContact CG2-CD1 4.1Å; V450-L803 HydrophobicContact CB-CD2 3.82Å; V450-L803 HydrophobicContact CG1-CD1 4.4Å; V450-L803 HydrophobicContact CG1-CD2 3.84Å; V450-L803 HydrophobicContact CG1-CG 4.24Å; V450-L803 HydrophobicContact CG2-CD2 4.07Å |
| 451 | E | 95.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.5 | -34.7 | -178.5 | -162.6 | 60.9 | -123 | 0 | 0 | 112.8 | S408 R424 A427 V428 Y431 H447 L448 T454 Q455 | S408-E451 WeakPolarHBondContact CB-OE2 3.39Å; S408-E451 PolarHBondContact OG-OE2 3.02Å; R424-E451 VanDerWaalsContact CD-OE1 3.27Å; R424-E451 WeakPolarHBondContact CD-OE1 3.38Å; R424-E451 WeakPolarHBondContact CG-OE1 3.49Å; R424-E451 IonicContact NE-OE1 3.25Å; A427-E451 HydrophobicContact CB-CG 4.33Å; V428-E451 HydrophobicContact CG2-CB 4.17Å; V428-E451 HydrophobicContact CG2-CG 3.76Å; Y431-E451 HydrophobicContact CD2-CB 4.42Å; Y431-E451 HydrophobicContact CE2-CB 4.18Å; H447-E451 PolarHBondContact O-N 3.31Å; L448-E451 PolarHBondContact O-N 3.15Å; E451-T454 VanDerWaalsContact CA-OG1 3.3Å; E451-T454 WeakPolarHBondContact CA-OG1 3.4Å; E451-T454 PolarHBondContact O-OG1 3.01Å; E451-T454 PolarHBondContact OE1-OG1 3.14Å; E451-T454 VanDerWaalsContact OE1-OG1 3.04Å; E451-Q455 VanDerWaalsContact O-CG 3.31Å; E451-Q455 WeakPolarHBondContact O-CG 3.41Å; E451-Q455 PolarHBondContact O-N 2.97Å; E451-Q455 VanDerWaalsContact O-N 3.11Å |
| 452 | L | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 171.2 | -70.2 | 173.1 | 0 | 0 | 0 | 111.4 | V428 L448 Q455 R456 H457 E460 A461 V464 | V428-L452 HydrophobicContact CG1-CD2 4.47Å; V428-L452 HydrophobicContact CG2-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CD1 3.91Å; L448-L452 HydrophobicContact CD1-CG 3.94Å; L448-L452 HydrophobicContact CD2-CD1 4.45Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.29Å; L448-L452 WeakPolarHBondContact O-CB 3.49Å; L448-L452 VanDerWaalsContact O-CG 3.31Å; L448-L452 WeakPolarHBondContact O-CG 2.88Å; L448-L452 PolarHBondContact O-N 3.32Å; L452-Q455 CarbonylContact O-C 3.55Å; L452-Q455 PolarHBondContact O-N 3.37Å; L452-R456 PolarHBondContact O-N 2.94Å; L452-R456 VanDerWaalsContact O-N 3.17Å; L452-H457 HydrophobicContact CB-CB 4.4Å; L452-H457 HydrophobicContact CD2-CB 4.35Å; L452-H457 PolarHBondContact O-N 3.42Å; L452-E460 HydrophobicContact CD1-CB 4.27Å; L452-E460 HydrophobicContact CD1-CG 3.8Å; L452-A461 HydrophobicContact CB-CB 3.82Å; L452-V464 HydrophobicContact CD1-CG2 3.97Å |
| 453 | A | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A449 V450 Q455 R456 A461 L481 L485 F798 | A449-A453 VanDerWaalsContact O-CB 3.24Å; A449-A453 WeakPolarHBondContact O-CB 3.45Å; A449-A453 PolarHBondContact O-N 3.26Å; V450-A453 WeakPolarHBondContact O-CB 3.3Å; V450-A453 PolarHBondContact O-N 3.2Å; A453-Q455 PolarHBondContact O-N 3.23Å; A453-R456 WeakPolarHBondContact O-CA 3.07Å; A453-R456 PolarHBondContact O-N 3.04Å; A453-A461 HydrophobicContact CB-CB 4.09Å; A453-L481 HydrophobicContact CB-CD1 4.05Å; A453-L485 HydrophobicContact CB-CD2 3.87Å; A453-F798 HydrophobicContact CB-CB 4.06Å; A453-F798 HydrophobicContact CB-CD1 3.73Å; A453-F798 HydrophobicContact CB-CD2 3.82Å; A453-F798 HydrophobicContact CB-CE1 4.04Å; A453-F798 HydrophobicContact CB-CE2 4.12Å; A453-F798 HydrophobicContact CB-CG 3.61Å; A453-F798 HydrophobicContact CB-CZ 4.24Å; A453-F798 WeakPolarHBondContact O-CD2 3.27Å; A453-F798 WeakPolarHBondContact O-CE2 3.48Å |
| 454 | T | 91.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66 | -25.8 | 174.5 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | R424 V450 E451 R456 F798 | R424-T454 PolarHBondContact NH1-O 3.31Å; R424-T454 VanDerWaalsContact NH1-O 3.1Å; V450-T454 HydrophobicContact CG1-CG2 4.41Å; V450-T454 WeakPolarHBondContact O-CG2 3.27Å; V450-T454 PolarHBondContact O-N 3.29Å; V450-T454 PolarHBondContact O-OG1 2.96Å; E451-T454 VanDerWaalsContact CA-OG1 3.3Å; E451-T454 WeakPolarHBondContact CA-OG1 3.4Å; E451-T454 PolarHBondContact O-OG1 3.01Å; E451-T454 PolarHBondContact OE1-OG1 3.14Å; E451-T454 VanDerWaalsContact OE1-OG1 3.04Å; T454-R456 VanDerWaalsContact C-N 3.32Å; T454-F798 HydrophobicContact CG2-CB 3.86Å |
| 455 | Q | 90.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 15% | 0.145 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.7 | 169.4 | -70.1 | -176.1 | -9.6 | 0 | 0 | 114 | R424 N425 E451 L452 A453 H457 | R424-Q455 HydrophobicContact CB-CG 4.35Å; R424-Q455 VanDerWaalsContact CB-NE2 3.26Å; N425-Q455 PolarHBondContact OD1-NE2 2.83Å; E451-Q455 VanDerWaalsContact O-CG 3.31Å; E451-Q455 WeakPolarHBondContact O-CG 3.41Å; E451-Q455 PolarHBondContact O-N 2.97Å; E451-Q455 VanDerWaalsContact O-N 3.11Å; L452-Q455 CarbonylContact O-C 3.55Å; L452-Q455 PolarHBondContact O-N 3.37Å; A453-Q455 PolarHBondContact O-N 3.23Å; Q455-H457 VanDerWaalsContact C-N 3.28Å; Q455-H457 PolarHBondContact O-N 3.42Å |
| 456 | R | 90.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 19.3 | -175.8 | -49.5 | -63.8 | -179.6 | -173.6 | -3.6 | 114.9 | L452 A453 T454 L458 T753 T792 F798 | L452-R456 PolarHBondContact O-N 2.94Å; L452-R456 VanDerWaalsContact O-N 3.17Å; A453-R456 WeakPolarHBondContact O-CA 3.07Å; A453-R456 PolarHBondContact O-N 3.04Å; T454-R456 VanDerWaalsContact C-N 3.32Å; R456-L458 PolarHBondContact O-N 2.79Å; R456-T753 PolarHBondContact NH2-OG1 3.37Å; R456-T792 PolarHBondContact NH1-O 2.7Å; R456-T792 VanDerWaalsContact NH1-O 3.15Å; R456-F798 VanDerWaalsContact NH1-CE2 3.28Å |
| 457 | H | 92.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 31.9 Ų | 31.9 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | trans | -81.6 | 67.3 | 171.8 | -62.2 | 173.4 | 0 | 0 | 0 | 110.5 | L452 Q455 D459 E460 A461 | L452-H457 HydrophobicContact CB-CB 4.4Å; L452-H457 HydrophobicContact CD2-CB 4.35Å; L452-H457 PolarHBondContact O-N 3.42Å; Q455-H457 VanDerWaalsContact C-N 3.28Å; Q455-H457 PolarHBondContact O-N 3.42Å; H457-D459 PolarHBondContact O-N 3.26Å; H457-E460 PolarHBondContact O-N 2.99Å; H457-A461 VanDerWaalsContact O-CB 3.25Å; H457-A461 WeakPolarHBondContact O-CB 3.24Å; H457-A461 PolarHBondContact O-N 2.98Å | ||
| 458 | L | 92.9 | Very high | 95 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | -165 | -58.7 | -179.3 | 0 | 0 | 0 | 114.2 | R456 A461 L462 L485 A488 T792 F798 | R456-L458 PolarHBondContact O-N 2.79Å; L458-A461 PolarHBondContact O-N 2.94Å; L458-L462 VanDerWaalsContact O-CB 3.31Å; L458-L462 WeakPolarHBondContact O-CB 3.3Å; L458-L462 PolarHBondContact O-N 3.36Å; L458-L485 HydrophobicContact CD2-CD2 3.98Å; L458-A488 HydrophobicContact CD1-CB 3.59Å; L458-A488 HydrophobicContact CD2-CB 4.15Å; L458-T792 HydrophobicContact CD1-CG2 3.93Å; L458-F798 HydrophobicContact CD2-CE2 3.9Å; L458-F798 HydrophobicContact CD2-CZ 3.94Å |
| 459 | D | 92.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 32.3 Ų | 32.3 | 70% | 0.701 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -66.7 | -43.7 | -177.2 | -65.6 | -37.1 | 0 | 0 | 0 | 111.4 | H457 L462 S463 | H457-D459 PolarHBondContact O-N 3.26Å; D459-L462 PolarHBondContact O-N 3.46Å; D459-S463 PolarHBondContact O-N 3.21Å |
| 460 | E | 95.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 32% | 0.318 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -46.7 | 174.7 | -164 | -177.3 | -173.1 | 0 | 0 | 110.4 | R432 L452 H457 L462 S463 V464 | R432-E460 IonicContact CZ-OE1 3.86Å; R432-E460 VanDerWaalsContact CZ-OE1 3.25Å; R432-E460 IonicContact NH1-OE1 3.75Å; R432-E460 PolarHBondContact NH1-OE1 2.9Å; R432-E460 IonicContact NH2-OE1 3.38Å; R432-E460 PolarHBondContact NH2-OE1 3.34Å; R432-E460 IonicContact NH2-OE2 2.78Å; R432-E460 PolarHBondContact NH2-OE2 3.31Å; L452-E460 HydrophobicContact CD1-CB 4.27Å; L452-E460 HydrophobicContact CD1-CG 3.8Å; H457-E460 PolarHBondContact O-N 2.99Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 2.83Å; E460-S463 PolarHBondContact O-N 3.32Å; E460-S463 VanDerWaalsContact O-N 3.12Å; E460-S463 PolarHBondContact O-OG 3.1Å; E460-V464 HydrophobicContact CG-CG2 4.36Å; E460-V464 WeakPolarHBondContact O-CG2 3.37Å; E460-V464 PolarHBondContact O-N 3.21Å |
| 461 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L452 A453 H457 L458 C465 L485 | L452-A461 HydrophobicContact CB-CB 3.82Å; A453-A461 HydrophobicContact CB-CB 4.09Å; H457-A461 VanDerWaalsContact O-CB 3.25Å; H457-A461 WeakPolarHBondContact O-CB 3.24Å; H457-A461 PolarHBondContact O-N 2.98Å; L458-A461 PolarHBondContact O-N 2.94Å; A461-C465 WeakPolarHBondContact O-CB 3.33Å; A461-C465 PolarHBondContact O-N 3.01Å; A461-L485 HydrophobicContact CB-CD1 4.25Å; A461-L485 HydrophobicContact CB-CD2 3.87Å |
| 462 | L | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.2 | -164 | 161.2 | 0 | 0 | 0 | 111 | L458 D459 E460 V464 C465 Q466 L485 | L458-L462 VanDerWaalsContact O-CB 3.31Å; L458-L462 WeakPolarHBondContact O-CB 3.3Å; L458-L462 PolarHBondContact O-N 3.36Å; D459-L462 PolarHBondContact O-N 3.46Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 2.83Å; L462-V464 PolarHBondContact O-N 3.15Å; L462-C465 PolarHBondContact O-N 2.91Å; L462-Q466 VanDerWaalsContact CD2-CD 3.47Å; L462-Q466 HydrophobicContact CD2-CG 4.09Å; L462-Q466 WeakPolarHBondContact O-CG 3.22Å; L462-Q466 PolarHBondContact O-N 3.48Å; L462-L485 HydrophobicContact CB-CD1 4.5Å |
| 463 | S | 96.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 177 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | D459 E460 Q466 Q467 | D459-S463 PolarHBondContact O-N 3.21Å; E460-S463 PolarHBondContact O-N 3.32Å; E460-S463 VanDerWaalsContact O-N 3.12Å; E460-S463 PolarHBondContact O-OG 3.1Å; S463-Q466 PolarHBondContact O-N 3.29Å; S463-Q467 WeakPolarHBondContact O-CG 3.3Å; S463-Q467 PolarHBondContact O-N 3.45Å; S463-Q467 VanDerWaalsContact O-N 3.16Å |
| 464 | V | 97.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -38.9 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | W445 L448 A449 L452 E460 L462 Q466 Q467 S468 | W445-V464 HydrophobicContact CB-CG1 4.48Å; W445-V464 HydrophobicContact CE3-CB 4.36Å; W445-V464 HydrophobicContact CE3-CG1 3.74Å; W445-V464 HydrophobicContact CZ3-CG1 4.45Å; W445-V464 WeakPolarHBondContact O-CG1 3.32Å; L448-V464 HydrophobicContact CB-CG1 3.92Å; L448-V464 HydrophobicContact CD2-CG1 3.86Å; L448-V464 HydrophobicContact CD2-CG2 4.21Å; L448-V464 HydrophobicContact CG-CG1 3.84Å; A449-V464 HydrophobicContact CB-CB 4.1Å; A449-V464 HydrophobicContact CB-CG1 3.76Å; L452-V464 HydrophobicContact CD1-CG2 3.97Å; E460-V464 HydrophobicContact CG-CG2 4.36Å; E460-V464 WeakPolarHBondContact O-CG2 3.37Å; E460-V464 PolarHBondContact O-N 3.21Å; L462-V464 PolarHBondContact O-N 3.15Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 3.26Å; V464-Q467 WeakPolarHBondContact O-CB 3.45Å; V464-Q467 PolarHBondContact O-N 2.84Å; V464-S468 PolarHBondContact O-N 2.94Å; V464-S468 VanDerWaalsContact O-N 3.1Å |
| 465 | C | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | A449 A461 L462 Q467 S468 L469 T478 L481 L485 | A449-C465 HydrophobicContact CB-CB 3.98Å; A461-C465 WeakPolarHBondContact O-CB 3.33Å; A461-C465 PolarHBondContact O-N 3.01Å; L462-C465 PolarHBondContact O-N 2.91Å; C465-Q467 VanDerWaalsContact C-N 3.35Å; C465-Q467 PolarHBondContact O-N 3.07Å; C465-S468 WeakPolarHBondContact O-CB 3.29Å; C465-S468 PolarHBondContact O-N 3.14Å; C465-L469 PolarHBondContact O-N 3.35Å; C465-T478 WeakPolarHBondContact O-CG2 3.24Å; C465-L481 HydrophobicContact CB-CD2 4.24Å; C465-L485 HydrophobicContact CB-CD1 3.87Å |
| 466 | Q | 96.2 | Very high | 93.9 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.3 | -74.1 | 174.6 | -18.5 | 0 | 0 | 112.2 | L462 S463 V464 L469 Q470 | L462-Q466 VanDerWaalsContact CD2-CD 3.47Å; L462-Q466 HydrophobicContact CD2-CG 4.09Å; L462-Q466 WeakPolarHBondContact O-CG 3.22Å; L462-Q466 PolarHBondContact O-N 3.48Å; S463-Q466 PolarHBondContact O-N 3.29Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 3.26Å; Q466-L469 PolarHBondContact O-N 2.87Å; Q466-Q470 VanDerWaalsContact O-CG 3.3Å; Q466-Q470 WeakPolarHBondContact O-CG 3.37Å; Q466-Q470 PolarHBondContact O-N 3.14Å |
| 467 | Q | 97.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.9 | -65.5 | -62.3 | -35.6 | 0 | 0 | 111.5 | W445 S463 V464 C465 L469 Q470 L471 | W445-Q467 HydrophobicContact CD2-CB 3.66Å; W445-Q467 HydrophobicContact CD2-CG 4.47Å; W445-Q467 HydrophobicContact CE3-CB 3.48Å; W445-Q467 VanDerWaalsContact CE3-CB 3.48Å; W445-Q467 HydrophobicContact CE3-CG 3.93Å; W445-Q467 HydrophobicContact CG-CB 4.2Å; W445-Q467 HydrophobicContact CH2-CB 4.33Å; W445-Q467 HydrophobicContact CH2-CG 4.14Å; W445-Q467 HydrophobicContact CZ2-CB 4.44Å; W445-Q467 HydrophobicContact CZ3-CB 3.87Å; W445-Q467 HydrophobicContact CZ3-CG 3.78Å; S463-Q467 WeakPolarHBondContact O-CG 3.3Å; S463-Q467 PolarHBondContact O-N 3.45Å; S463-Q467 VanDerWaalsContact O-N 3.16Å; V464-Q467 WeakPolarHBondContact O-CB 3.45Å; V464-Q467 PolarHBondContact O-N 2.84Å; C465-Q467 VanDerWaalsContact C-N 3.35Å; C465-Q467 PolarHBondContact O-N 3.07Å; Q467-L469 VanDerWaalsContact C-N 3.28Å; Q467-L469 PolarHBondContact O-N 3.17Å; Q467-Q470 PolarHBondContact O-N 3.2Å; Q467-L471 PolarHBondContact O-N 3.43Å; Q467-L471 VanDerWaalsContact O-N 3.14Å |
| 468 | S | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | Y442 V464 C465 L471 M472 T478 | Y442-S468 PolarHBondContact O-OG 3.41Å; V464-S468 PolarHBondContact O-N 2.94Å; V464-S468 VanDerWaalsContact O-N 3.1Å; C465-S468 WeakPolarHBondContact O-CB 3.29Å; C465-S468 PolarHBondContact O-N 3.14Å; S468-L471 PolarHBondContact O-N 3Å; S468-M472 PolarHBondContact O-N 3.07Å; S468-T478 PolarHBondContact OG-OG1 3.07Å |
| 469 | L | 93.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.1 | -30.6 | -179.3 | -165.7 | 68 | 0 | 0 | 0 | 112.6 | C465 Q466 Q467 M472 P473 T478 L482 | C465-L469 PolarHBondContact O-N 3.35Å; Q466-L469 PolarHBondContact O-N 2.87Å; Q467-L469 VanDerWaalsContact C-N 3.28Å; Q467-L469 PolarHBondContact O-N 3.17Å; L469-M472 CarbonylContact O-C 3.36Å; L469-M472 VanDerWaalsContact O-C 3.27Å; L469-P473 WeakPolarHBondContact O-CA 3.34Å; L469-P473 VanDerWaalsContact O-CD 3.31Å; L469-P473 WeakPolarHBondContact O-CD 3.38Å; L469-P473 WeakPolarHBondContact O-CG 3.25Å; L469-T478 HydrophobicContact CB-CG2 3.83Å; L469-T478 HydrophobicContact CD1-CG2 4.11Å; L469-L482 HydrophobicContact CD2-CD2 3.83Å |
| 470 | Q | 95.7 | Very high | 94.4 | Very high | 127 Ų | 127 | 36.7 Ų | 36.7 | 59% | 0.593 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -65.1 | -41.3 | 173.6 | -76.7 | 174.5 | 6.1 | 0 | 0 | 111.4 | Q466 Q467 | Q466-Q470 VanDerWaalsContact O-CG 3.3Å; Q466-Q470 WeakPolarHBondContact O-CG 3.37Å; Q466-Q470 PolarHBondContact O-N 3.14Å; Q467-Q470 PolarHBondContact O-N 3.2Å |
| 471 | L | 95.2 | Very high | 94.5 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.8 | -42.7 | 176.9 | -67.4 | 169.8 | 0 | 0 | 0 | 112 | P439 W445 Q467 S468 | P439-L471 WeakPolarHBondContact O-CD1 3.42Å; W445-L471 VanDerWaalsContact CD1-CD1 3.41Å; W445-L471 HydrophobicContact CG-CD1 4.38Å; Q467-L471 PolarHBondContact O-N 3.43Å; Q467-L471 VanDerWaalsContact O-N 3.14Å; S468-L471 PolarHBondContact O-N 3Å |
| 472 | M | 93.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | trans | -134.8 | 84.7 | 178.3 | -164.5 | 69.2 | -93.1 | 0 | 0 | 112.1 | Y442 S468 L469 I474 H475 | Y442-M472 HydrophobicContact CD1-CB 3.79Å; Y442-M472 HydrophobicContact CD1-CG 4.22Å; Y442-M472 HydrophobicContact CD2-CB 3.88Å; Y442-M472 HydrophobicContact CD2-CG 4.38Å; Y442-M472 HydrophobicContact CE1-CB 4.33Å; Y442-M472 HydrophobicContact CE1-CG 4.25Å; Y442-M472 HydrophobicContact CE2-CB 4.4Å; Y442-M472 HydrophobicContact CE2-CG 4.42Å; Y442-M472 HydrophobicContact CG-CB 3.55Å; Y442-M472 HydrophobicContact CG-CG 4.29Å; S468-M472 PolarHBondContact O-N 3.07Å; L469-M472 CarbonylContact O-C 3.36Å; L469-M472 VanDerWaalsContact O-C 3.27Å; M472-I474 HydrophobicContact CE-CB 3.78Å; M472-I474 HydrophobicContact CE-CD1 4.16Å; M472-I474 HydrophobicContact CE-CG1 3.91Å; M472-I474 PolarHBondContact O-N 3.35Å; M472-H475 HydrophobicContact CB-CB 4.24Å; M472-H475 HydrophobicContact CG-CB 3.95Å; M472-H475 PolarHBondContact O-N 3.08Å; M472-H475 VanDerWaalsContact O-N 3.12Å | ||
| 473 | P | 89.8 | Confident | 94.4 | Very high | 42 Ų | 42 | 33 Ų | 33 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.7 | 179.8 | -24.2 | 33.1 | 0 | 0 | 0 | 113.8 | L469 R507 | L469-P473 WeakPolarHBondContact O-CA 3.34Å; L469-P473 VanDerWaalsContact O-CD 3.31Å; L469-P473 WeakPolarHBondContact O-CD 3.38Å; L469-P473 WeakPolarHBondContact O-CG 3.25Å; P473-R507 PolarHBondContact O-NH1 2.87Å |
| 474 | I | 86.6 | Confident | 94.4 | Very high | 64 Ų | 64 | 30.3 Ų | 30.3 | 33% | 0.328 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.8 | -174.5 | -54.7 | -178.8 | 0 | 0 | 0 | 112.3 | M472 S476 R507 | M472-I474 HydrophobicContact CE-CB 3.78Å; M472-I474 HydrophobicContact CE-CD1 4.16Å; M472-I474 HydrophobicContact CE-CG1 3.91Å; M472-I474 PolarHBondContact O-N 3.35Å; I474-S476 PolarHBondContact O-N 3.43Å; I474-S476 VanDerWaalsContact O-N 3.09Å; I474-R507 VanDerWaalsContact C-CZ 3.48Å; I474-R507 VanDerWaalsContact CA-NH2 3.28Å; I474-R507 VanDerWaalsContact CG2-CZ 3.44Å; I474-R507 VanDerWaalsContact CG2-NH2 3.3Å; I474-R507 PolarHBondContact O-NE 2.78Å; I474-R507 PolarHBondContact O-NH1 3.46Å |
| 475 | H | 90.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | trans | -73.9 | 107.3 | -175.4 | -175.6 | -130.6 | 0 | 0 | 0 | 111.9 | Y442 Y446 M472 N477 T478 L479 | Y442-H475 HydrophobicContact CD2-CB 4.31Å; Y442-H475 AromaticContact CD2-ND1 3.99Å; Y442-H475 HydrophobicContact CE2-CB 4.12Å; Y442-H475 AromaticContact CE2-CD2 3.85Å; Y442-H475 AromaticContact CE2-CG 3.69Å; Y442-H475 AromaticContact CE2-ND1 3.83Å; Y446-H475 AromaticContact CD1-CE1 3.97Å; Y446-H475 AromaticContact CD2-CE1 3.94Å; Y446-H475 AromaticContact CG-CE1 3.82Å; M472-H475 HydrophobicContact CB-CB 4.24Å; M472-H475 HydrophobicContact CG-CB 3.95Å; M472-H475 PolarHBondContact O-N 3.08Å; M472-H475 VanDerWaalsContact O-N 3.12Å; H475-N477 VanDerWaalsContact C-N 3.32Å; H475-N477 PolarHBondContact O-N 2.89Å; H475-T478 PolarHBondContact ND1-N 2.96Å; H475-T478 PolarHBondContact ND1-OG1 3.45Å; H475-T478 PolarHBondContact O-N 2.92Å; H475-L479 PolarHBondContact O-N 3.49Å | ||
| 476 | S | 91 | Very high | 94.1 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | -175.6 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | I474 L479 Y480 D510 | I474-S476 PolarHBondContact O-N 3.43Å; I474-S476 VanDerWaalsContact O-N 3.09Å; S476-L479 PolarHBondContact O-N 3.37Å; S476-Y480 WeakPolarHBondContact O-CB 3.5Å; S476-Y480 PolarHBondContact O-N 2.91Å; S476-D510 WeakPolarHBondContact CB-OD2 3.43Å; S476-D510 PolarHBondContact OG-OD2 3.13Å |
| 477 | N | 93.4 | Very high | 94 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 10% | 0.096 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.4 | -33.8 | -179.1 | -61.1 | -39.3 | 0 | 0 | 0 | 112.5 | Y446 H475 Y480 L481 | Y446-N477 HydrophobicContact CE2-CB 3.74Å; Y446-N477 WeakPolarHBondContact OH-CB 3.43Å; H475-N477 VanDerWaalsContact C-N 3.32Å; H475-N477 PolarHBondContact O-N 2.89Å; N477-Y480 WeakPolarHBondContact O-CB 3.39Å; N477-Y480 PolarHBondContact O-N 3.48Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.13Å |
| 478 | T | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | Y446 C465 S468 L469 H475 Y480 L481 L482 | Y446-T478 WeakPolarHBondContact CD2-OG1 3.46Å; C465-T478 WeakPolarHBondContact O-CG2 3.24Å; S468-T478 PolarHBondContact OG-OG1 3.07Å; L469-T478 HydrophobicContact CB-CG2 3.83Å; L469-T478 HydrophobicContact CD1-CG2 4.11Å; H475-T478 PolarHBondContact ND1-N 2.96Å; H475-T478 PolarHBondContact ND1-OG1 3.45Å; H475-T478 PolarHBondContact O-N 2.92Å; T478-Y480 VanDerWaalsContact C-N 3.35Å; T478-L481 WeakPolarHBondContact O-CB 3.19Å; T478-L481 PolarHBondContact O-N 3.47Å; T478-L482 PolarHBondContact O-N 3.02Å |
| 479 | L | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 175.7 | -178.5 | 63.9 | 0 | 0 | 0 | 112.3 | H475 S476 L481 L482 A483 A499 L500 L513 | H475-L479 PolarHBondContact O-N 3.49Å; S476-L479 PolarHBondContact O-N 3.37Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L479-L482 HydrophobicContact CD1-CD2 4.33Å; L479-L482 PolarHBondContact O-N 3.13Å; L479-A483 PolarHBondContact O-N 2.68Å; L479-A499 HydrophobicContact CD1-CB 4.35Å; L479-L500 HydrophobicContact CG-CD2 4.46Å; L479-L513 HydrophobicContact CB-CD2 4.35Å; L479-L513 HydrophobicContact CD2-CD1 3.71Å; L479-L513 HydrophobicContact CD2-CD2 4.16Å; L479-L513 HydrophobicContact CG-CD2 4.21Å |
| 480 | Y | 95.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 27 Ų | 27 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 172.8 | -161.6 | -70.4 | 0 | 0 | 0 | 110.8 | S476 N477 T478 A483 L484 N512 L513 L516 E796 L801 | S476-Y480 WeakPolarHBondContact O-CB 3.5Å; S476-Y480 PolarHBondContact O-N 2.91Å; N477-Y480 WeakPolarHBondContact O-CB 3.39Å; N477-Y480 PolarHBondContact O-N 3.48Å; T478-Y480 VanDerWaalsContact C-N 3.35Å; Y480-A483 PolarHBondContact O-N 3.17Å; Y480-L484 HydrophobicContact CD1-CD1 3.79Å; Y480-L484 HydrophobicContact CD1-CG 3.84Å; Y480-L484 HydrophobicContact CE1-CD1 3.72Å; Y480-L484 HydrophobicContact CE1-CD2 4.15Å; Y480-L484 HydrophobicContact CE1-CG 3.86Å; Y480-L484 WeakPolarHBondContact O-CG 3.27Å; Y480-L484 PolarHBondContact O-N 3.41Å; Y480-N512 HydrophobicContact CD2-CB 4.31Å; Y480-N512 HydrophobicContact CE2-CB 4.28Å; Y480-N512 WeakPolarHBondContact CE2-O 3.27Å; Y480-L513 HydrophobicContact CD2-CD2 4.23Å; Y480-L516 HydrophobicContact CD1-CD2 3.7Å; Y480-L516 HydrophobicContact CD2-CB 4.22Å; Y480-L516 HydrophobicContact CD2-CD2 3.9Å; Y480-L516 HydrophobicContact CE1-CD1 4.16Å; Y480-L516 HydrophobicContact CE1-CD2 3.75Å; Y480-L516 HydrophobicContact CE1-CG 4.36Å; Y480-L516 HydrophobicContact CE2-CB 3.65Å; Y480-L516 HydrophobicContact CE2-CD2 3.94Å; Y480-L516 HydrophobicContact CE2-CG 4.28Å; Y480-L516 HydrophobicContact CG-CD2 3.78Å; Y480-E796 PolarHBondContact OH-OE2 3.32Å; Y480-L801 HydrophobicContact CD1-CD2 3.5Å; Y480-L801 HydrophobicContact CD1-CG 4.26Å; Y480-L801 HydrophobicContact CE1-CD2 4.19Å; Y480-L801 HydrophobicContact CG-CD2 3.9Å |
| 481 | L | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.4 | 178.1 | 61.9 | 0 | 0 | 0 | 111.9 | Y446 A449 V450 A453 C465 N477 T478 L479 A483 L484 L485 F798 L801 | Y446-L481 HydrophobicContact CD2-CD2 4.37Å; Y446-L481 HydrophobicContact CE2-CD2 4.49Å; A449-L481 HydrophobicContact CB-CD2 3.49Å; A449-L481 VanDerWaalsContact CB-CD2 3.49Å; V450-L481 HydrophobicContact CG2-CD1 4.32Å; V450-L481 HydrophobicContact CG2-CD2 3.76Å; A453-L481 HydrophobicContact CB-CD1 4.05Å; C465-L481 HydrophobicContact CB-CD2 4.24Å; N477-L481 WeakPolarHBondContact O-CB 3.49Å; N477-L481 PolarHBondContact O-N 3.13Å; T478-L481 WeakPolarHBondContact O-CB 3.19Å; T478-L481 PolarHBondContact O-N 3.47Å; L479-L481 VanDerWaalsContact C-N 3.34Å; L481-A483 VanDerWaalsContact C-N 3.31Å; L481-A483 PolarHBondContact O-N 3.34Å; L481-L484 PolarHBondContact O-N 3.08Å; L481-L485 HydrophobicContact CD1-CD1 4.19Å; L481-L485 HydrophobicContact CD1-CG 4.16Å; L481-L485 HydrophobicContact CG-CD1 3.95Å; L481-L485 HydrophobicContact CG-CG 4.38Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 WeakPolarHBondContact O-CG 3.35Å; L481-L485 PolarHBondContact O-N 2.95Å; L481-F798 HydrophobicContact CD1-CD1 3.97Å; L481-F798 HydrophobicContact CD1-CE1 4.4Å; L481-L801 HydrophobicContact CB-CD1 3.66Å; L481-L801 HydrophobicContact CD1-CD1 3.58Å; L481-L801 HydrophobicContact CG-CD1 4.15Å |
| 482 | L | 95.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 177.6 | -178.3 | 65.7 | 0 | 0 | 0 | 111 | L469 T478 L479 L485 H486 A499 | L469-L482 HydrophobicContact CD2-CD2 3.83Å; T478-L482 PolarHBondContact O-N 3.02Å; L479-L482 HydrophobicContact CD1-CD2 4.33Å; L479-L482 PolarHBondContact O-N 3.13Å; L482-L485 PolarHBondContact O-N 3.45Å; L482-H486 PolarHBondContact O-CD2 2.65Å; L482-H486 PolarHBondContact O-N 2.98Å; L482-A499 HydrophobicContact CD2-CB 4.41Å |
| 483 | A | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L479 Y480 L481 L485 H486 T487 L500 L516 I520 | L479-A483 PolarHBondContact O-N 2.68Å; Y480-A483 PolarHBondContact O-N 3.17Å; L481-A483 VanDerWaalsContact C-N 3.31Å; L481-A483 PolarHBondContact O-N 3.34Å; A483-L485 VanDerWaalsContact C-N 3.35Å; A483-L485 PolarHBondContact O-N 3.12Å; A483-H486 PolarHBondContact O-N 3.36Å; A483-T487 WeakPolarHBondContact O-CG2 3.45Å; A483-T487 PolarHBondContact O-N 3.4Å; A483-L500 HydrophobicContact CB-CD1 4.07Å; A483-L500 HydrophobicContact CB-CD2 3.8Å; A483-L500 HydrophobicContact CB-CG 3.78Å; A483-L516 HydrophobicContact CB-CD2 3.68Å; A483-I520 HydrophobicContact CB-CD1 4.3Å |
| 484 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.6 | -72.1 | -175.5 | 0 | 0 | 0 | 112.7 | Y480 L481 H486 T487 A488 L516 I795 E796 F798 L801 | Y480-L484 HydrophobicContact CD1-CD1 3.79Å; Y480-L484 HydrophobicContact CD1-CG 3.84Å; Y480-L484 HydrophobicContact CE1-CD1 3.72Å; Y480-L484 HydrophobicContact CE1-CD2 4.15Å; Y480-L484 HydrophobicContact CE1-CG 3.86Å; Y480-L484 WeakPolarHBondContact O-CG 3.27Å; Y480-L484 PolarHBondContact O-N 3.41Å; L481-L484 PolarHBondContact O-N 3.08Å; L484-H486 VanDerWaalsContact C-N 3.29Å; L484-H486 PolarHBondContact O-N 3.13Å; L484-T487 WeakPolarHBondContact CA-OG1 3.47Å; L484-T487 WeakPolarHBondContact O-CA 3.48Å; L484-T487 PolarHBondContact O-N 3.4Å; L484-T487 PolarHBondContact O-OG1 3.36Å; L484-A488 PolarHBondContact O-N 3.09Å; L484-L516 HydrophobicContact CD2-CD1 3.7Å; L484-L516 HydrophobicContact CD2-CD2 4.35Å; L484-L516 HydrophobicContact CG-CD2 4.41Å; L484-I795 HydrophobicContact CD2-CG2 3.82Å; L484-E796 HydrophobicContact CD2-CB 3.95Å; L484-F798 HydrophobicContact CB-CD1 3.95Å; L484-F798 HydrophobicContact CB-CE1 3.64Å; L484-F798 HydrophobicContact CD1-CD1 4.1Å; L484-L801 HydrophobicContact CD1-CD1 4.09Å; L484-L801 HydrophobicContact CD1-CG 4.33Å |
| 485 | L | 95 | Very high | 91.9 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 177.2 | -75.1 | 168.5 | 0 | 0 | 0 | 111.6 | A453 L458 A461 L462 C465 L481 L482 A483 T487 A488 F798 | A453-L485 HydrophobicContact CB-CD2 3.87Å; L458-L485 HydrophobicContact CD2-CD2 3.98Å; A461-L485 HydrophobicContact CB-CD1 4.25Å; A461-L485 HydrophobicContact CB-CD2 3.87Å; L462-L485 HydrophobicContact CB-CD1 4.5Å; C465-L485 HydrophobicContact CB-CD1 3.87Å; L481-L485 HydrophobicContact CD1-CD1 4.19Å; L481-L485 HydrophobicContact CD1-CG 4.16Å; L481-L485 HydrophobicContact CG-CD1 3.95Å; L481-L485 HydrophobicContact CG-CG 4.38Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 WeakPolarHBondContact O-CG 3.35Å; L481-L485 PolarHBondContact O-N 2.95Å; L482-L485 PolarHBondContact O-N 3.45Å; A483-L485 VanDerWaalsContact C-N 3.35Å; A483-L485 PolarHBondContact O-N 3.12Å; L485-T487 VanDerWaalsContact C-N 3.32Å; L485-A488 WeakPolarHBondContact O-CB 3.12Å; L485-A488 PolarHBondContact O-N 2.94Å; L485-F798 HydrophobicContact CD2-CE1 3.85Å; L485-F798 HydrophobicContact CD2-CZ 3.84Å; L485-F798 HydrophobicContact CG-CE1 4.04Å; L485-F798 HydrophobicContact CG-CZ 4.46Å |
| 486 | H | 94 | Very high | 92.1 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.9 | -21.8 | 172.3 | -76.5 | -71.3 | 0 | 0 | 0 | 113.5 | L482 A483 L484 A488 R492 Q495 A496 | L482-H486 PolarHBondContact O-CD2 2.65Å; L482-H486 PolarHBondContact O-N 2.98Å; A483-H486 PolarHBondContact O-N 3.36Å; L484-H486 VanDerWaalsContact C-N 3.29Å; L484-H486 PolarHBondContact O-N 3.13Å; H486-A488 VanDerWaalsContact C-N 3.31Å; H486-R492 HydrophobicContact CB-CB 4.34Å; H486-R492 CarbonylContact O-C 3.59Å; H486-R492 VanDerWaalsContact O-CB 3.26Å; H486-R492 WeakPolarHBondContact O-CB 3.47Å; H486-Q495 HydrophobicContact CB-CB 4.46Å; H486-Q495 PolarHBondContact CE1-OE1 3.17Å; H486-Q495 VanDerWaalsContact CE1-OE1 3.25Å; H486-Q495 PolarHBondContact ND1-OE1 3.32Å; H486-A496 HydrophobicContact CB-CB 3.7Å |
| 487 | T | 93.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.5 | -15.9 | 172.9 | 67 | 0 | 0 | 0 | 0 | 113.5 | A483 L484 L485 G489 G490 L493 A496 I520 I795 | A483-T487 WeakPolarHBondContact O-CG2 3.45Å; A483-T487 PolarHBondContact O-N 3.4Å; L484-T487 WeakPolarHBondContact CA-OG1 3.47Å; L484-T487 WeakPolarHBondContact O-CA 3.48Å; L484-T487 PolarHBondContact O-N 3.4Å; L484-T487 PolarHBondContact O-OG1 3.36Å; L485-T487 VanDerWaalsContact C-N 3.32Å; T487-G489 PolarHBondContact O-N 3.41Å; T487-G490 PolarHBondContact O-N 3.24Å; T487-L493 HydrophobicContact CG2-CD2 3.99Å; T487-A496 HydrophobicContact CG2-CB 3.93Å; T487-I520 HydrophobicContact CG2-CD1 3.74Å; T487-I520 HydrophobicContact CG2-CG1 3.72Å; T487-I795 HydrophobicContact CG2-CB 4.22Å; T487-I795 HydrophobicContact CG2-CG2 3.86Å; T487-I795 PolarHBondContact OG1-N 3.13Å; T487-I795 VanDerWaalsContact OG1-N 3.08Å |
| 488 | A | 90.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -58.2 | 123.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L458 L484 L485 H486 G490 E793 F798 | L458-A488 HydrophobicContact CD1-CB 3.59Å; L458-A488 HydrophobicContact CD2-CB 4.15Å; L484-A488 PolarHBondContact O-N 3.09Å; L485-A488 WeakPolarHBondContact O-CB 3.12Å; L485-A488 PolarHBondContact O-N 2.94Å; H486-A488 VanDerWaalsContact C-N 3.31Å; A488-G490 PolarHBondContact O-N 3.3Å; A488-E793 CarbonylContact C-O 3.26Å; A488-E793 WeakPolarHBondContact CA-O 3.44Å; A488-F798 HydrophobicContact CB-CZ 4.43Å |
| 489 | G | 84.4 | Confident | 92.2 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | 72.9 | 8.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T487 K491 Q791 E793 | T487-G489 PolarHBondContact O-N 3.41Å; G489-K491 PolarHBondContact O-N 3.46Å; G489-K491 VanDerWaalsContact O-N 3.08Å; G489-Q791 VanDerWaalsContact CA-O 3.25Å; G489-Q791 WeakPolarHBondContact CA-O 3.29Å; G489-E793 PolarHBondContact N-O 3.25Å |
| 490 | G | 80.9 | Confident | 92.2 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 45% | 0.454 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | 72.2 | -2.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | T487 A488 | T487-G490 PolarHBondContact O-N 3.24Å; A488-G490 PolarHBondContact O-N 3.3Å |
| 491 | K | 79.1 | Confident | 92.1 | Very high | 184 Ų | 184 | 43.7 Ų | 43.7 | 80% | 0.8 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -25.5 | -171.1 | -67.4 | 176.9 | -173.9 | 173.5 | 0 | 115 | G489 | G489-K491 PolarHBondContact O-N 3.46Å; G489-K491 VanDerWaalsContact O-N 3.08Å |
| 492 | R | 89.2 | Confident | 91.9 | Very high | 114 Ų | 114 | 46 Ų | 46 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 33.4 | -171 | -53 | 169.8 | -176.9 | 164.9 | 1.6 | 113.3 | H486 D494 Q495 A496 | H486-R492 HydrophobicContact CB-CB 4.34Å; H486-R492 CarbonylContact O-C 3.59Å; H486-R492 VanDerWaalsContact O-CB 3.26Å; H486-R492 WeakPolarHBondContact O-CB 3.47Å; R492-D494 VanDerWaalsContact C-N 3.26Å; R492-D494 PolarHBondContact O-N 3.22Å; R492-Q495 HydrophobicContact CB-CB 4.34Å; R492-Q495 HydrophobicContact CB-CG 4.45Å; R492-Q495 WeakPolarHBondContact O-CB 3.33Å; R492-Q495 PolarHBondContact O-N 2.82Å; R492-A496 PolarHBondContact O-N 3.42Å; R492-A496 VanDerWaalsContact O-N 3.12Å |
| 493 | L | 93.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.1 | -35.9 | 179 | -62.4 | 178.7 | 0 | 0 | 0 | 113.2 | T487 Q495 A496 A497 A523 R524 | T487-L493 HydrophobicContact CG2-CD2 3.99Å; L493-Q495 VanDerWaalsContact C-N 3.33Å; L493-Q495 PolarHBondContact O-N 3.26Å; L493-A496 PolarHBondContact O-N 3.41Å; L493-A497 PolarHBondContact O-N 3.17Å; L493-A523 HydrophobicContact CD1-CB 4.22Å; L493-R524 HydrophobicContact CB-CB 4.18Å; L493-R524 HydrophobicContact CB-CG 4.23Å; L493-R524 HydrophobicContact CD1-CB 4.18Å |
| 494 | D | 93.7 | Very high | 91.4 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.6 | -79.9 | -42.4 | 0 | 0 | 0 | 113.4 | R492 K498 R524 | R492-D494 VanDerWaalsContact C-N 3.26Å; R492-D494 PolarHBondContact O-N 3.22Å; D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.49Å; D494-K498 PolarHBondContact O-N 3.34Å; D494-R524 VanDerWaalsContact OD1-CD 3.26Å; D494-R524 WeakPolarHBondContact OD1-CD 3.38Å; D494-R524 IonicContact OD1-CZ 2.74Å; D494-R524 IonicContact OD1-NE 3.43Å; D494-R524 IonicContact OD1-NH1 2.66Å; D494-R524 PolarHBondContact OD1-NH1 3.4Å; D494-R524 VanDerWaalsContact OD1-NH1 3.14Å |
| 495 | Q | 92.9 | Very high | 91.2 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 177.9 | -64.4 | 177 | -9.6 | 0 | 0 | 110.3 | H486 R492 L493 K498 A499 | H486-Q495 HydrophobicContact CB-CB 4.46Å; H486-Q495 PolarHBondContact CE1-OE1 3.17Å; H486-Q495 VanDerWaalsContact CE1-OE1 3.25Å; H486-Q495 PolarHBondContact ND1-OE1 3.32Å; R492-Q495 HydrophobicContact CB-CB 4.34Å; R492-Q495 HydrophobicContact CB-CG 4.45Å; R492-Q495 WeakPolarHBondContact O-CB 3.33Å; R492-Q495 PolarHBondContact O-N 2.82Å; L493-Q495 VanDerWaalsContact C-N 3.33Å; L493-Q495 PolarHBondContact O-N 3.26Å; Q495-K498 PolarHBondContact O-N 3.39Å; Q495-A499 WeakPolarHBondContact O-CB 3.37Å; Q495-A499 PolarHBondContact O-N 3.4Å |
| 496 | A | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H486 T487 R492 L493 K498 A499 L500 I520 | H486-A496 HydrophobicContact CB-CB 3.7Å; T487-A496 HydrophobicContact CG2-CB 3.93Å; R492-A496 PolarHBondContact O-N 3.42Å; R492-A496 VanDerWaalsContact O-N 3.12Å; L493-A496 PolarHBondContact O-N 3.41Å; A496-K498 PolarHBondContact O-N 2.83Å; A496-A499 PolarHBondContact O-N 2.62Å; A496-L500 WeakPolarHBondContact O-CG 3.26Å; A496-L500 PolarHBondContact O-N 3.33Å; A496-L500 VanDerWaalsContact O-N 3.07Å; A496-I520 HydrophobicContact CB-CD1 3.91Å; A496-I520 HydrophobicContact CB-CG2 4.31Å |
| 497 | A | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L493 A499 L500 Y501 L517 I520 | L493-A497 PolarHBondContact O-N 3.17Å; A497-A499 PolarHBondContact O-N 3.4Å; A497-L500 PolarHBondContact O-N 3.38Å; A497-Y501 HydrophobicContact CB-CE2 4.44Å; A497-Y501 WeakPolarHBondContact O-CD2 3.41Å; A497-Y501 PolarHBondContact O-N 3.28Å; A497-L517 HydrophobicContact CB-CD1 4.48Å; A497-I520 HydrophobicContact CB-CG2 4.08Å |
| 498 | K | 93.9 | Very high | 90.1 | Very high | 141 Ų | 141 | 54.2 Ų | 54.2 | 61% | 0.613 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 176.1 | -76.3 | 173 | -176.5 | -179.8 | 0 | 112 | D494 Q495 A496 L500 Y501 V502 | D494-K498 WeakPolarHBondContact O-CB 3.47Å; D494-K498 WeakPolarHBondContact O-CG 3.49Å; D494-K498 PolarHBondContact O-N 3.34Å; Q495-K498 PolarHBondContact O-N 3.39Å; A496-K498 PolarHBondContact O-N 2.83Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 3.36Å; K498-Y501 PolarHBondContact O-N 3.28Å; K498-V502 WeakPolarHBondContact O-CG2 3.41Å; K498-V502 PolarHBondContact O-N 2.94Å |
| 499 | A | 92.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L479 L482 Q495 A496 A497 V502 G503 | L479-A499 HydrophobicContact CD1-CB 4.35Å; L482-A499 HydrophobicContact CD2-CB 4.41Å; Q495-A499 WeakPolarHBondContact O-CB 3.37Å; Q495-A499 PolarHBondContact O-N 3.4Å; A496-A499 PolarHBondContact O-N 2.62Å; A497-A499 PolarHBondContact O-N 3.4Å; A499-V502 PolarHBondContact O-N 2.76Å; A499-G503 PolarHBondContact O-N 2.97Å |
| 500 | L | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.3 | -70.6 | 180 | 0 | 0 | 0 | 112.8 | L479 A483 A496 A497 K498 V502 G503 L504 L513 L516 L517 I520 | L479-L500 HydrophobicContact CG-CD2 4.46Å; A483-L500 HydrophobicContact CB-CD1 4.07Å; A483-L500 HydrophobicContact CB-CD2 3.8Å; A483-L500 HydrophobicContact CB-CG 3.78Å; A496-L500 WeakPolarHBondContact O-CG 3.26Å; A496-L500 PolarHBondContact O-N 3.33Å; A496-L500 VanDerWaalsContact O-N 3.07Å; A497-L500 PolarHBondContact O-N 3.38Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 3.36Å; L500-V502 VanDerWaalsContact C-N 3.31Å; L500-V502 PolarHBondContact O-N 2.91Å; L500-G503 PolarHBondContact O-N 3.33Å; L500-L504 WeakPolarHBondContact O-CB 3.5Å; L500-L504 WeakPolarHBondContact O-CD1 3.48Å; L500-L504 WeakPolarHBondContact O-CG 3.03Å; L500-L504 PolarHBondContact O-N 3.03Å; L500-L513 HydrophobicContact CD2-CB 4.26Å; L500-L513 HydrophobicContact CD2-CD2 3.71Å; L500-L516 HydrophobicContact CD1-CB 4.3Å; L500-L516 HydrophobicContact CD1-CD2 4.16Å; L500-L516 HydrophobicContact CD1-CG 4.01Å; L500-L516 HydrophobicContact CD2-CD2 4.36Å; L500-L517 HydrophobicContact CB-CD1 4.13Å; L500-L517 HydrophobicContact CD1-CB 3.91Å; L500-L517 HydrophobicContact CD1-CD1 4.22Å; L500-I520 HydrophobicContact CD1-CD1 3.59Å |
| 501 | Y | 94.9 | Very high | 90.7 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 175.9 | -80.3 | -58.9 | 0 | 0 | 0 | 112.4 | A497 K498 S505 L517 E521 | A497-Y501 HydrophobicContact CB-CE2 4.44Å; A497-Y501 WeakPolarHBondContact O-CD2 3.41Å; A497-Y501 PolarHBondContact O-N 3.28Å; K498-Y501 PolarHBondContact O-N 3.28Å; Y501-S505 PolarHBondContact O-N 2.7Å; Y501-S505 VanDerWaalsContact O-N 3.08Å; Y501-L517 HydrophobicContact CD1-CD2 4.18Å; Y501-L517 HydrophobicContact CE1-CD2 3.74Å; Y501-L517 HydrophobicContact CE2-CD1 4.13Å; Y501-E521 WeakPolarHBondContact CE2-OE1 3.4Å; Y501-E521 PolarHBondContact OH-OE1 3.08Å |
| 502 | V | 91.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -50.9 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | K498 A499 L500 L504 S505 L612 | K498-V502 WeakPolarHBondContact O-CG2 3.41Å; K498-V502 PolarHBondContact O-N 2.94Å; A499-V502 PolarHBondContact O-N 2.76Å; L500-V502 VanDerWaalsContact C-N 3.31Å; L500-V502 PolarHBondContact O-N 2.91Å; V502-L504 VanDerWaalsContact C-N 3.34Å; V502-L504 PolarHBondContact O-N 3.25Å; V502-S505 WeakPolarHBondContact O-CB 3.41Å; V502-S505 PolarHBondContact O-N 3.36Å; V502-S505 PolarHBondContact O-OG 3.31Å; V502-L612 HydrophobicContact CG1-CD1 4.06Å; V502-L612 HydrophobicContact CG1-CG 3.99Å |
| 503 | G | 89 | Confident | 91.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.2 | -30.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A499 L500 S505 D506 R507 | A499-G503 PolarHBondContact O-N 2.97Å; L500-G503 PolarHBondContact O-N 3.33Å; G503-S505 VanDerWaalsContact C-N 3.25Å; G503-S505 PolarHBondContact O-N 3.22Å; G503-D506 PolarHBondContact O-N 2.97Å; G503-R507 PolarHBondContact O-N 3.48Å; G503-R507 VanDerWaalsContact O-N 3.07Å |
| 504 | L | 92.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.8 | -20.5 | 171.4 | -75.2 | 167.5 | 0 | 0 | 0 | 112.6 | L500 V502 D506 R507 P508 D510 L513 L514 L517 | L500-L504 WeakPolarHBondContact O-CB 3.5Å; L500-L504 WeakPolarHBondContact O-CD1 3.48Å; L500-L504 WeakPolarHBondContact O-CG 3.03Å; L500-L504 PolarHBondContact O-N 3.03Å; V502-L504 VanDerWaalsContact C-N 3.34Å; V502-L504 PolarHBondContact O-N 3.25Å; L504-D506 VanDerWaalsContact C-N 3.3Å; L504-R507 WeakPolarHBondContact CD2-O 3.09Å; L504-R507 CarbonylContact O-C 3.44Å; L504-R507 PolarHBondContact O-N 3.24Å; L504-P508 WeakPolarHBondContact O-CA 2.8Å; L504-D510 HydrophobicContact CD2-CB 4.29Å; L504-L513 HydrophobicContact CD2-CB 3.73Å; L504-L513 HydrophobicContact CD2-CD1 4.41Å; L504-L513 HydrophobicContact CG-CB 4.09Å; L504-L514 HydrophobicContact CD1-CD2 3.77Å; L504-L514 HydrophobicContact CD1-CG 4.31Å; L504-L514 HydrophobicContact CD2-CD2 3.98Å; L504-L514 HydrophobicContact CD2-CG 3.77Å; L504-L517 HydrophobicContact CD1-CB 4.4Å; L504-L517 HydrophobicContact CD1-CD2 3.61Å |
| 505 | S | 91 | Very high | 91.7 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 57% | 0.573 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -67.2 | -34.9 | 172.4 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | Y501 V502 G503 | Y501-S505 PolarHBondContact O-N 2.7Å; Y501-S505 VanDerWaalsContact O-N 3.08Å; V502-S505 WeakPolarHBondContact O-CB 3.41Å; V502-S505 PolarHBondContact O-N 3.36Å; V502-S505 PolarHBondContact O-OG 3.31Å; G503-S505 VanDerWaalsContact C-N 3.25Å; G503-S505 PolarHBondContact O-N 3.22Å |
| 506 | D | 84.7 | Confident | 91.8 | Very high | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -78.7 | -31.9 | 173.1 | -63 | -36.2 | 0 | 0 | 0 | 112.1 | G503 L504 | G503-D506 PolarHBondContact O-N 2.97Å; L504-D506 VanDerWaalsContact C-N 3.3Å |
| 507 | R | 87 | Confident | 91.9 | Very high | 38 Ų | 38 | 32 Ų | 32 | 14% | 0.143 | 17% | 0.168 | C | C | . | . | trans | -130.9 | 74.1 | -177.4 | -62.7 | 175.7 | -150.1 | 59.8 | 77.8 | 111.7 | P473 I474 G503 L504 N509 D510 | P473-R507 PolarHBondContact O-NH1 2.87Å; I474-R507 VanDerWaalsContact C-CZ 3.48Å; I474-R507 VanDerWaalsContact CA-NH2 3.28Å; I474-R507 VanDerWaalsContact CG2-CZ 3.44Å; I474-R507 VanDerWaalsContact CG2-NH2 3.3Å; I474-R507 PolarHBondContact O-NE 2.78Å; I474-R507 PolarHBondContact O-NH1 3.46Å; G503-R507 PolarHBondContact O-N 3.48Å; G503-R507 VanDerWaalsContact O-N 3.07Å; L504-R507 WeakPolarHBondContact CD2-O 3.09Å; L504-R507 CarbonylContact O-C 3.44Å; L504-R507 PolarHBondContact O-N 3.24Å; R507-N509 PolarHBondContact O-N 3.04Å; R507-D510 HydrophobicContact CB-CB 4.11Å; R507-D510 PolarHBondContact O-N 3.06Å; R507-D510 VanDerWaalsContact O-N 3.14Å | ||
| 508 | P | 87 | Confident | 91.9 | Very high | 71 Ų | 71 | 32 Ų | 32 | 46% | 0.461 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.4 | -173.6 | 25.1 | -35.2 | 0 | 0 | 0 | 113.7 | L504 | L504-P508 WeakPolarHBondContact O-CA 2.8Š|
| 509 | N | 86.5 | Confident | 92 | Very high | 77 Ų | 77 | 27.7 Ų | 27.7 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.3 | -176.8 | -59.6 | -14.8 | 0 | 0 | 0 | 113.1 | R507 F511 V540 W602 | R507-N509 PolarHBondContact O-N 3.04Å; N509-F511 PolarHBondContact O-N 3.02Å; N509-V540 HydrophobicContact CB-CG1 3.99Å; N509-W602 HydrophobicContact CB-CZ3 3.95Å; N509-W602 WeakPolarHBondContact O-CZ3 3.28Å |
| 510 | D | 90.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | trans | -72.8 | 102.2 | 178.6 | -168 | -34.5 | 0 | 0 | 0 | 111.8 | S476 L504 R507 N512 L513 L514 | S476-D510 WeakPolarHBondContact CB-OD2 3.43Å; S476-D510 PolarHBondContact OG-OD2 3.13Å; L504-D510 HydrophobicContact CD2-CB 4.29Å; R507-D510 HydrophobicContact CB-CB 4.11Å; R507-D510 PolarHBondContact O-N 3.06Å; R507-D510 VanDerWaalsContact O-N 3.14Å; D510-N512 VanDerWaalsContact C-N 3.32Å; D510-N512 PolarHBondContact O-N 3.34Å; D510-N512 WeakPolarHBondContact OD1-CB 3.49Å; D510-N512 PolarHBondContact OD1-N 3.1Å; D510-L513 HydrophobicContact CB-CB 4.21Å; D510-L513 HydrophobicContact CB-CD1 3.96Å; D510-L513 HydrophobicContact CB-CG 4.17Å; D510-L513 PolarHBondContact O-N 2.91Å; D510-L513 PolarHBondContact OD1-N 3.04Å; D510-L513 WeakPolarHBondContact OD2-CD1 3.47Å; D510-L514 WeakPolarHBondContact O-CG 3.46Å; D510-L514 PolarHBondContact O-N 3.32Å; D510-L514 VanDerWaalsContact O-N 3.08Å | ||
| 511 | F | 92.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 179.8 | -72.2 | -59.6 | 0 | 0 | 0 | 113.5 | N509 L514 F515 L537 V540 W541 F545 W602 V651 I655 | N509-F511 PolarHBondContact O-N 3.02Å; F511-L514 PolarHBondContact O-N 2.87Å; F511-F515 HydrophobicContact CB-CD2 4.31Å; F511-F515 HydrophobicContact CB-CE2 4.04Å; F511-F515 WeakPolarHBondContact O-CD2 3.29Å; F511-F515 WeakPolarHBondContact O-CG 3.35Å; F511-F515 PolarHBondContact O-N 3.34Å; F511-L537 HydrophobicContact CD1-CD2 3.53Å; F511-L537 HydrophobicContact CE1-CD2 4.16Å; F511-V540 HydrophobicContact CE1-CB 4.24Å; F511-V540 HydrophobicContact CE1-CG1 3.76Å; F511-V540 HydrophobicContact CZ-CG1 3.96Å; F511-W541 HydrophobicContact CE1-CB 4.09Å; F511-W541 HydrophobicContact CZ-CB 4.01Å; F511-F545 HydrophobicContact CE2-CE2 4.01Å; F511-F545 HydrophobicContact CE2-CZ 4.48Å; F511-F545 HydrophobicContact CZ-CE2 4.2Å; F511-W602 HydrophobicContact CD2-CD2 4.16Å; F511-W602 AromaticContact CD2-CE3 3.88Å; F511-W602 HydrophobicContact CD2-CE3 3.88Å; F511-W602 AromaticContact CD2-CH2 3.66Å; F511-W602 HydrophobicContact CD2-CH2 3.66Å; F511-W602 AromaticContact CD2-CZ2 3.98Å; F511-W602 HydrophobicContact CD2-CZ2 3.98Å; F511-W602 AromaticContact CD2-CZ3 3.6Å; F511-W602 HydrophobicContact CD2-CZ3 3.6Å; F511-W602 HydrophobicContact CE2-CD2 4.37Å; F511-W602 HydrophobicContact CE2-CE3 4.08Å; F511-W602 AromaticContact CE2-CH2 2.97Å; F511-W602 HydrophobicContact CE2-CH2 2.97Å; F511-W602 AromaticContact CE2-CZ2 3.37Å; F511-W602 HydrophobicContact CE2-CZ2 3.37Å; F511-W602 AromaticContact CE2-CZ3 3.38Å; F511-W602 HydrophobicContact CE2-CZ3 3.38Å; F511-W602 AromaticContact CZ-CH2 3.71Å; F511-W602 HydrophobicContact CZ-CH2 3.71Å; F511-W602 HydrophobicContact CZ-CZ2 4.37Å; F511-W602 HydrophobicContact CZ-CZ3 4.14Å; F511-V651 HydrophobicContact CD1-CG1 3.9Å; F511-V651 HydrophobicContact CD2-CG1 3.84Å; F511-V651 HydrophobicContact CD2-CG2 4.14Å; F511-V651 HydrophobicContact CE1-CG1 3.91Å; F511-V651 HydrophobicContact CE2-CG1 3.73Å; F511-V651 HydrophobicContact CE2-CG2 4.25Å; F511-V651 HydrophobicContact CG-CG1 3.91Å; F511-V651 HydrophobicContact CZ-CG1 3.84Å; F511-I655 HydrophobicContact CE1-CD1 4.49Å |
| 512 | N | 91.2 | Very high | 92 | Very high | 17 Ų | 17 | 23.2 Ų | 23.2 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.6 | -46.1 | -176.1 | -64.9 | -33.8 | 0 | 0 | 0 | 110.1 | Y480 D510 L514 F515 L516 | Y480-N512 HydrophobicContact CD2-CB 4.31Å; Y480-N512 HydrophobicContact CE2-CB 4.28Å; Y480-N512 WeakPolarHBondContact CE2-O 3.27Å; D510-N512 VanDerWaalsContact C-N 3.32Å; D510-N512 PolarHBondContact O-N 3.34Å; D510-N512 WeakPolarHBondContact OD1-CB 3.49Å; D510-N512 PolarHBondContact OD1-N 3.1Å; N512-L514 PolarHBondContact O-N 3.44Å; N512-F515 PolarHBondContact O-N 2.79Å; N512-L516 PolarHBondContact O-N 3.49Å; N512-L516 VanDerWaalsContact O-N 3.08Å |
| 513 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 176.3 | -62.3 | 178.8 | 0 | 0 | 0 | 112.1 | L479 Y480 L500 L504 D510 L516 L517 | L479-L513 HydrophobicContact CB-CD2 4.35Å; L479-L513 HydrophobicContact CD2-CD1 3.71Å; L479-L513 HydrophobicContact CD2-CD2 4.16Å; L479-L513 HydrophobicContact CG-CD2 4.21Å; Y480-L513 HydrophobicContact CD2-CD2 4.23Å; L500-L513 HydrophobicContact CD2-CB 4.26Å; L500-L513 HydrophobicContact CD2-CD2 3.71Å; L504-L513 HydrophobicContact CD2-CB 3.73Å; L504-L513 HydrophobicContact CD2-CD1 4.41Å; L504-L513 HydrophobicContact CG-CB 4.09Å; D510-L513 HydrophobicContact CB-CB 4.21Å; D510-L513 HydrophobicContact CB-CD1 3.96Å; D510-L513 HydrophobicContact CB-CG 4.17Å; D510-L513 PolarHBondContact O-N 2.91Å; D510-L513 PolarHBondContact OD1-N 3.04Å; D510-L513 WeakPolarHBondContact OD2-CD1 3.47Å; L513-L516 PolarHBondContact O-N 3.29Å; L513-L517 WeakPolarHBondContact O-CB 3.27Å; L513-L517 PolarHBondContact O-N 3.08Å |
| 514 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 175.6 | -75.1 | 170.8 | 0 | 0 | 0 | 112.9 | L504 D510 F511 N512 L517 A518 I533 L537 V540 | L504-L514 HydrophobicContact CD1-CD2 3.77Å; L504-L514 HydrophobicContact CD1-CG 4.31Å; L504-L514 HydrophobicContact CD2-CD2 3.98Å; L504-L514 HydrophobicContact CD2-CG 3.77Å; D510-L514 WeakPolarHBondContact O-CG 3.46Å; D510-L514 PolarHBondContact O-N 3.32Å; D510-L514 VanDerWaalsContact O-N 3.08Å; F511-L514 PolarHBondContact O-N 2.87Å; N512-L514 PolarHBondContact O-N 3.44Å; L514-L517 PolarHBondContact O-N 3.33Å; L514-A518 PolarHBondContact O-N 2.72Å; L514-I533 HydrophobicContact CD2-CG2 4.43Å; L514-I533 WeakPolarHBondContact O-CG2 3.3Å; L514-L537 HydrophobicContact CB-CD1 4.36Å; L514-L537 HydrophobicContact CB-CD2 3.46Å; L514-L537 VanDerWaalsContact CB-CD2 3.46Å; L514-L537 HydrophobicContact CB-CG 3.86Å; L514-L537 HydrophobicContact CD1-CD2 3.82Å; L514-L537 HydrophobicContact CD1-CG 4.34Å; L514-L537 HydrophobicContact CG-CD2 4.28Å; L514-V540 HydrophobicContact CD1-CG2 4.25Å |
| 515 | F | 95.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.2 | -76.6 | -55.3 | 0 | 0 | 0 | 111.5 | F511 N512 L517 A518 K519 Y534 L537 K654 I655 | F511-F515 HydrophobicContact CB-CD2 4.31Å; F511-F515 HydrophobicContact CB-CE2 4.04Å; F511-F515 WeakPolarHBondContact O-CD2 3.29Å; F511-F515 WeakPolarHBondContact O-CG 3.35Å; F511-F515 PolarHBondContact O-N 3.34Å; N512-F515 PolarHBondContact O-N 2.79Å; F515-L517 VanDerWaalsContact C-N 3.34Å; F515-A518 PolarHBondContact O-N 3.21Å; F515-K519 PolarHBondContact O-N 2.45Å; F515-Y534 HydrophobicContact CD1-CE1 4.02Å; F515-Y534 HydrophobicContact CE1-CE1 4.1Å; F515-L537 HydrophobicContact CD1-CD1 3.72Å; F515-L537 HydrophobicContact CD1-CD2 4.5Å; F515-L537 HydrophobicContact CE1-CD1 3.83Å; F515-L537 HydrophobicContact CE1-CD2 4.34Å; F515-L537 HydrophobicContact CG-CD1 4.48Å; F515-L537 HydrophobicContact CZ-CD2 4.43Å; F515-K654 HydrophobicContact CD2-CD 4Å; F515-K654 HydrophobicContact CD2-CG 4.47Å; F515-K654 HydrophobicContact CE1-CB 4.45Å; F515-K654 HydrophobicContact CE1-CG 3.98Å; F515-K654 HydrophobicContact CE2-CB 4.33Å; F515-K654 HydrophobicContact CE2-CD 3.6Å; F515-K654 HydrophobicContact CE2-CG 3.89Å; F515-K654 HydrophobicContact CZ-CB 3.83Å; F515-K654 HydrophobicContact CZ-CD 3.89Å; F515-K654 HydrophobicContact CZ-CG 3.61Å; F515-I655 HydrophobicContact CE1-CB 4.46Å; F515-I655 HydrophobicContact CE1-CG1 3.86Å; F515-I655 HydrophobicContact CZ-CG1 3.67Å |
| 516 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 176.3 | -176.7 | 61.7 | 0 | 0 | 0 | 111.4 | Y480 A483 L484 L500 N512 L513 A518 K519 I520 I795 | Y480-L516 HydrophobicContact CD1-CD2 3.7Å; Y480-L516 HydrophobicContact CD2-CB 4.22Å; Y480-L516 HydrophobicContact CD2-CD2 3.9Å; Y480-L516 HydrophobicContact CE1-CD1 4.16Å; Y480-L516 HydrophobicContact CE1-CD2 3.75Å; Y480-L516 HydrophobicContact CE1-CG 4.36Å; Y480-L516 HydrophobicContact CE2-CB 3.65Å; Y480-L516 HydrophobicContact CE2-CD2 3.94Å; Y480-L516 HydrophobicContact CE2-CG 4.28Å; Y480-L516 HydrophobicContact CG-CD2 3.78Å; A483-L516 HydrophobicContact CB-CD2 3.68Å; L484-L516 HydrophobicContact CD2-CD1 3.7Å; L484-L516 HydrophobicContact CD2-CD2 4.35Å; L484-L516 HydrophobicContact CG-CD2 4.41Å; L500-L516 HydrophobicContact CD1-CB 4.3Å; L500-L516 HydrophobicContact CD1-CD2 4.16Å; L500-L516 HydrophobicContact CD1-CG 4.01Å; L500-L516 HydrophobicContact CD2-CD2 4.36Å; N512-L516 PolarHBondContact O-N 3.49Å; N512-L516 VanDerWaalsContact O-N 3.08Å; L513-L516 PolarHBondContact O-N 3.29Å; L516-A518 VanDerWaalsContact C-N 3.31Å; L516-A518 PolarHBondContact O-N 3.47Å; L516-K519 PolarHBondContact O-N 3.06Å; L516-I520 HydrophobicContact CD1-CD1 4.1Å; L516-I520 HydrophobicContact CD1-CG1 4.37Å; L516-I520 HydrophobicContact CD2-CD1 4.3Å; L516-I520 HydrophobicContact CG-CD1 3.77Å; L516-I520 HydrophobicContact CG-CG1 4.43Å; L516-I520 WeakPolarHBondContact O-CG1 3.23Å; L516-I520 PolarHBondContact O-N 3.28Å; L516-I795 HydrophobicContact CD1-CG2 3.9Å |
| 517 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 175.8 | -179.7 | 63.2 | 0 | 0 | 0 | 111.3 | A497 L500 Y501 L504 L513 L514 F515 K519 I520 E521 I533 | A497-L517 HydrophobicContact CB-CD1 4.48Å; L500-L517 HydrophobicContact CB-CD1 4.13Å; L500-L517 HydrophobicContact CD1-CB 3.91Å; L500-L517 HydrophobicContact CD1-CD1 4.22Å; Y501-L517 HydrophobicContact CD1-CD2 4.18Å; Y501-L517 HydrophobicContact CE1-CD2 3.74Å; Y501-L517 HydrophobicContact CE2-CD1 4.13Å; L504-L517 HydrophobicContact CD1-CB 4.4Å; L504-L517 HydrophobicContact CD1-CD2 3.61Å; L513-L517 WeakPolarHBondContact O-CB 3.27Å; L513-L517 PolarHBondContact O-N 3.08Å; L514-L517 PolarHBondContact O-N 3.33Å; F515-L517 VanDerWaalsContact C-N 3.34Å; L517-K519 VanDerWaalsContact C-N 3.34Å; L517-K519 PolarHBondContact O-N 3.46Å; L517-I520 PolarHBondContact O-N 3.16Å; L517-E521 HydrophobicContact CD1-CG 3.93Å; L517-E521 HydrophobicContact CG-CG 4.21Å; L517-E521 WeakPolarHBondContact O-CB 3.43Å; L517-E521 VanDerWaalsContact O-CG 3.31Å; L517-E521 WeakPolarHBondContact O-CG 3.23Å; L517-E521 PolarHBondContact O-N 2.83Å; L517-I533 HydrophobicContact CD2-CD1 3.94Å; L517-I533 HydrophobicContact CD2-CG2 4.5Å; L517-I533 HydrophobicContact CG-CD1 4.32Å; L517-I533 HydrophobicContact CG-CG1 4.42Å |
| 518 | A | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L514 F515 L516 I520 E521 E522 S530 I533 Y534 | L514-A518 PolarHBondContact O-N 2.72Å; F515-A518 PolarHBondContact O-N 3.21Å; L516-A518 VanDerWaalsContact C-N 3.31Å; L516-A518 PolarHBondContact O-N 3.47Å; A518-I520 PolarHBondContact O-N 3.1Å; A518-E521 PolarHBondContact O-N 3.42Å; A518-E522 WeakPolarHBondContact O-CB 3.37Å; A518-E522 PolarHBondContact O-N 3.38Å; A518-S530 PolarHBondContact O-OG 3.4Å; A518-I533 HydrophobicContact CB-CB 3.99Å; A518-I533 HydrophobicContact CB-CG2 3.85Å; A518-Y534 HydrophobicContact CB-CD2 4.27Å; A518-Y534 HydrophobicContact CB-CE1 4.47Å; A518-Y534 HydrophobicContact CB-CE2 3.81Å |
| 519 | K | 94.5 | Very high | 92.8 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.1 | -68.1 | -172.8 | 172.8 | -169.1 | 0 | 112.9 | F515 L516 L517 E522 A523 I795 E796 | F515-K519 PolarHBondContact O-N 2.45Å; L516-K519 PolarHBondContact O-N 3.06Å; L517-K519 VanDerWaalsContact C-N 3.34Å; L517-K519 PolarHBondContact O-N 3.46Å; K519-E522 WeakPolarHBondContact O-CB 3.12Å; K519-E522 PolarHBondContact O-N 3.15Å; K519-A523 PolarHBondContact O-N 2.89Å; K519-A523 VanDerWaalsContact O-N 3.09Å; K519-I795 HydrophobicContact CB-CD1 4.07Å; K519-I795 VanDerWaalsContact O-CD1 3.22Å; K519-I795 WeakPolarHBondContact O-CD1 3.36Å; K519-E796 HydrophobicContact CD-CG 4.22Å; K519-E796 VanDerWaalsContact CD-OE1 3.28Å; K519-E796 WeakPolarHBondContact CD-OE1 3.44Å; K519-E796 WeakPolarHBondContact CE-OE1 3.38Å; K519-E796 IonicContact NZ-OE1 2.84Å; K519-E796 PolarHBondContact NZ-OE1 3.22Å |
| 520 | I | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -41.9 | 178.6 | -70.5 | 169.4 | 0 | 0 | 0 | 111.2 | A483 T487 A496 A497 L500 L516 L517 A518 E522 A523 R524 I795 | A483-I520 HydrophobicContact CB-CD1 4.3Å; T487-I520 HydrophobicContact CG2-CD1 3.74Å; T487-I520 HydrophobicContact CG2-CG1 3.72Å; A496-I520 HydrophobicContact CB-CD1 3.91Å; A496-I520 HydrophobicContact CB-CG2 4.31Å; A497-I520 HydrophobicContact CB-CG2 4.08Å; L500-I520 HydrophobicContact CD1-CD1 3.59Å; L516-I520 HydrophobicContact CD1-CD1 4.1Å; L516-I520 HydrophobicContact CD1-CG1 4.37Å; L516-I520 HydrophobicContact CD2-CD1 4.3Å; L516-I520 HydrophobicContact CG-CD1 3.77Å; L516-I520 HydrophobicContact CG-CG1 4.43Å; L516-I520 WeakPolarHBondContact O-CG1 3.23Å; L516-I520 PolarHBondContact O-N 3.28Å; L517-I520 PolarHBondContact O-N 3.16Å; A518-I520 PolarHBondContact O-N 3.1Å; I520-E522 VanDerWaalsContact C-N 3.31Å; I520-E522 PolarHBondContact O-N 3.07Å; I520-A523 PolarHBondContact O-N 3.34Å; I520-R524 WeakPolarHBondContact O-CB 3.35Å; I520-R524 PolarHBondContact O-N 3.16Å; I520-I795 HydrophobicContact CG1-CD1 4.26Å; I520-I795 HydrophobicContact CG1-CG2 4.32Å |
| 521 | E | 94.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 176.3 | -72.4 | -62.5 | 161.6 | 0 | 0 | 112.4 | Y501 L517 A518 R524 I525 N526 A529 I533 | Y501-E521 WeakPolarHBondContact CE2-OE1 3.4Å; Y501-E521 PolarHBondContact OH-OE1 3.08Å; L517-E521 HydrophobicContact CD1-CG 3.93Å; L517-E521 HydrophobicContact CG-CG 4.21Å; L517-E521 WeakPolarHBondContact O-CB 3.43Å; L517-E521 VanDerWaalsContact O-CG 3.31Å; L517-E521 WeakPolarHBondContact O-CG 3.23Å; L517-E521 PolarHBondContact O-N 2.83Å; A518-E521 PolarHBondContact O-N 3.42Å; E521-R524 IonicContact OE1-CZ 3.09Å; E521-R524 VanDerWaalsContact OE1-CZ 3.3Å; E521-R524 IonicContact OE1-NE 2.96Å; E521-R524 IonicContact OE1-NH1 2.91Å; E521-R524 IonicContact OE1-NH2 3.71Å; E521-R524 PolarHBondContact OE1-NH2 2.84Å; E521-R524 IonicContact OE2-CZ 3.55Å; E521-R524 IonicContact OE2-NE 3.37Å; E521-R524 PolarHBondContact OE2-NE 2.93Å; E521-R524 IonicContact OE2-NH2 2.7Å; E521-R524 PolarHBondContact OE2-NH2 3.44Å; E521-I525 PolarHBondContact O-N 3.33Å; E521-I525 VanDerWaalsContact OE2-CD1 3.27Å; E521-I525 WeakPolarHBondContact OE2-CD1 3.49Å; E521-N526 PolarHBondContact O-N 3.44Å; E521-A529 HydrophobicContact CB-CB 4.13Å; E521-I533 HydrophobicContact CG-CG1 4.32Å |
| 522 | E | 93.7 | Very high | 93.3 | Very high | 29 Ų | 29 | 34.6 Ų | 34.6 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -53.2 | 172.1 | -168.3 | 138.7 | -148.9 | 0 | 0 | 111.7 | A518 K519 I520 R524 N526 P527 S530 S662 | A518-E522 WeakPolarHBondContact O-CB 3.37Å; A518-E522 PolarHBondContact O-N 3.38Å; K519-E522 WeakPolarHBondContact O-CB 3.12Å; K519-E522 PolarHBondContact O-N 3.15Å; I520-E522 VanDerWaalsContact C-N 3.31Å; I520-E522 PolarHBondContact O-N 3.07Å; E522-R524 VanDerWaalsContact C-N 3.32Å; E522-R524 PolarHBondContact O-N 3.4Å; E522-N526 CarbonylContact O-C 3.52Å; E522-N526 WeakPolarHBondContact O-CA 3.17Å; E522-N526 PolarHBondContact O-N 2.79Å; E522-P527 HydrophobicContact CG-CG 4.34Å; E522-P527 WeakPolarHBondContact OE1-CA 3.34Å; E522-P527 WeakPolarHBondContact OE1-CB 3.4Å; E522-S530 WeakPolarHBondContact OE2-CB 3.3Å; E522-S530 PolarHBondContact OE2-OG 3.13Å; E522-S662 VanDerWaalsContact OE1-CA 3.31Å; E522-S662 WeakPolarHBondContact OE1-CA 3.08Å; E522-S662 WeakPolarHBondContact OE1-CB 3.5Å; E522-S662 PolarHBondContact OE1-OG 2.93Å; E522-S662 PolarHBondContact OE2-OG 3.17Å |
| 523 | A | 92.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 34.2 Ų | 34.2 | 50% | 0.496 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.8 | -31.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L493 K519 I520 I795 | L493-A523 HydrophobicContact CD1-CB 4.22Å; K519-A523 PolarHBondContact O-N 2.89Å; K519-A523 VanDerWaalsContact O-N 3.09Å; I520-A523 PolarHBondContact O-N 3.34Å; A523-I795 HydrophobicContact CB-CD1 3.68Å |
| 524 | R | 91.4 | Very high | 93.5 | Very high | 75 Ų | 75 | 34.4 Ų | 34.4 | 28% | 0.283 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -80.3 | -46.4 | -177.5 | -174.5 | -178.4 | 71 | 167.3 | -1.8 | 113.3 | L493 D494 I520 E521 E522 | L493-R524 HydrophobicContact CB-CB 4.18Å; L493-R524 HydrophobicContact CB-CG 4.23Å; L493-R524 HydrophobicContact CD1-CB 4.18Å; D494-R524 VanDerWaalsContact OD1-CD 3.26Å; D494-R524 WeakPolarHBondContact OD1-CD 3.38Å; D494-R524 IonicContact OD1-CZ 2.74Å; D494-R524 IonicContact OD1-NE 3.43Å; D494-R524 IonicContact OD1-NH1 2.66Å; D494-R524 PolarHBondContact OD1-NH1 3.4Å; D494-R524 VanDerWaalsContact OD1-NH1 3.14Å; I520-R524 WeakPolarHBondContact O-CB 3.35Å; I520-R524 PolarHBondContact O-N 3.16Å; E521-R524 IonicContact OE1-CZ 3.09Å; E521-R524 VanDerWaalsContact OE1-CZ 3.3Å; E521-R524 IonicContact OE1-NE 2.96Å; E521-R524 IonicContact OE1-NH1 2.91Å; E521-R524 IonicContact OE1-NH2 3.71Å; E521-R524 PolarHBondContact OE1-NH2 2.84Å; E521-R524 IonicContact OE2-CZ 3.55Å; E521-R524 IonicContact OE2-NE 3.37Å; E521-R524 PolarHBondContact OE2-NE 2.93Å; E521-R524 IonicContact OE2-NH2 2.7Å; E521-R524 PolarHBondContact OE2-NH2 3.44Å; E522-R524 VanDerWaalsContact C-N 3.32Å; E522-R524 PolarHBondContact O-N 3.4Å |
| 525 | I | 90.3 | Very high | 93.4 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -67.3 | -170.4 | -56.2 | -178.9 | 0 | 0 | 0 | 110.5 | E521 A529 | E521-I525 PolarHBondContact O-N 3.33Å; E521-I525 VanDerWaalsContact OE2-CD1 3.27Å; E521-I525 WeakPolarHBondContact OE2-CD1 3.49Å; I525-A529 HydrophobicContact CB-CB 4Å; I525-A529 HydrophobicContact CD1-CB 4.34Å; I525-A529 HydrophobicContact CG2-CB 4.28Å |
| 526 | N | 90.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | trans | 177.1 | 167.2 | 178.9 | 50.1 | 43.5 | 0 | 0 | 0 | 110.6 | E521 E522 K528 A529 | E521-N526 PolarHBondContact O-N 3.44Å; E522-N526 CarbonylContact O-C 3.52Å; E522-N526 WeakPolarHBondContact O-CA 3.17Å; E522-N526 PolarHBondContact O-N 2.79Å; N526-K528 PolarHBondContact O-N 3.48Å; N526-K528 VanDerWaalsContact O-N 3.11Å; N526-K528 WeakPolarHBondContact OD1-CB 3.3Å; N526-K528 PolarHBondContact OD1-N 2.91Å; N526-A529 WeakPolarHBondContact O-CB 3.45Å; N526-A529 PolarHBondContact O-N 3.03Å; N526-A529 PolarHBondContact OD1-N 3.15Å | ||
| 527 | P | 90.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.3 | -32 | 172.8 | -30.7 | 36.9 | 0 | 0 | 0 | 114.4 | E522 A529 S530 L531 S662 D665 N666 | E522-P527 HydrophobicContact CG-CG 4.34Å; E522-P527 WeakPolarHBondContact OE1-CA 3.34Å; E522-P527 WeakPolarHBondContact OE1-CB 3.4Å; P527-A529 VanDerWaalsContact C-N 3.25Å; P527-A529 PolarHBondContact O-N 3.37Å; P527-S530 VanDerWaalsContact O-CB 3.27Å; P527-S530 WeakPolarHBondContact O-CB 3.43Å; P527-S530 PolarHBondContact O-N 3.16Å; P527-S530 VanDerWaalsContact O-N 3.16Å; P527-L531 WeakPolarHBondContact O-CG 3.47Å; P527-L531 PolarHBondContact O-N 2.8Å; P527-S662 PolarHBondContact O-OG 3.32Å; P527-D665 HydrophobicContact CG-CB 4.25Å; P527-N666 HydrophobicContact CB-CB 3.7Å; P527-N666 HydrophobicContact CG-CB 4.2Å |
| 528 | K | 91.2 | Very high | 93 | Very high | 131 Ų | 131 | 47.5 Ų | 47.5 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.2 | -28.7 | 178.5 | -61.1 | -179.9 | -178.6 | 174.8 | 0 | 113.1 | N526 | N526-K528 PolarHBondContact O-N 3.48Å; N526-K528 VanDerWaalsContact O-N 3.11Å; N526-K528 WeakPolarHBondContact OD1-CB 3.3Å; N526-K528 PolarHBondContact OD1-N 2.91Å |
| 529 | A | 92.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E521 I525 N526 P527 L531 K532 I533 | E521-A529 HydrophobicContact CB-CB 4.13Å; I525-A529 HydrophobicContact CB-CB 4Å; I525-A529 HydrophobicContact CD1-CB 4.34Å; I525-A529 HydrophobicContact CG2-CB 4.28Å; N526-A529 WeakPolarHBondContact O-CB 3.45Å; N526-A529 PolarHBondContact O-N 3.03Å; N526-A529 PolarHBondContact OD1-N 3.15Å; P527-A529 VanDerWaalsContact C-N 3.25Å; P527-A529 PolarHBondContact O-N 3.37Å; A529-L531 VanDerWaalsContact C-N 3.32Å; A529-L531 PolarHBondContact O-N 2.95Å; A529-K532 WeakPolarHBondContact O-CB 3.47Å; A529-K532 PolarHBondContact O-N 3.13Å; A529-I533 PolarHBondContact O-N 2.98Å |
| 530 | S | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.1 | -47.4 | 173 | -168.7 | 0 | 0 | 0 | 0 | 112 | A518 E522 P527 K532 I533 Y534 S662 | A518-S530 PolarHBondContact O-OG 3.4Å; E522-S530 WeakPolarHBondContact OE2-CB 3.3Å; E522-S530 PolarHBondContact OE2-OG 3.13Å; P527-S530 VanDerWaalsContact O-CB 3.27Å; P527-S530 WeakPolarHBondContact O-CB 3.43Å; P527-S530 PolarHBondContact O-N 3.16Å; P527-S530 VanDerWaalsContact O-N 3.16Å; S530-K532 PolarHBondContact O-N 3.38Å; S530-K532 VanDerWaalsContact O-N 3.17Å; S530-I533 WeakPolarHBondContact O-CA 3.25Å; S530-I533 WeakPolarHBondContact O-CB 3.3Å; S530-I533 PolarHBondContact O-N 2.58Å; S530-Y534 WeakPolarHBondContact O-CD2 3.34Å; S530-Y534 PolarHBondContact O-N 3.21Å; S530-Y534 VanDerWaalsContact OG-CE2 3.32Å; S530-Y534 WeakPolarHBondContact OG-CE2 3.24Å; S530-S662 WeakPolarHBondContact CB-OG 3.28Å |
| 531 | L | 92.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -30.8 | 176.5 | -65.6 | 177.4 | 0 | 0 | 0 | 113.9 | P527 A529 R535 L659 Y663 | P527-L531 WeakPolarHBondContact O-CG 3.47Å; P527-L531 PolarHBondContact O-N 2.8Å; A529-L531 VanDerWaalsContact C-N 3.32Å; A529-L531 PolarHBondContact O-N 2.95Å; L531-R535 WeakPolarHBondContact O-CG 3.29Å; L531-R535 PolarHBondContact O-N 2.81Å; L531-R535 VanDerWaalsContact O-N 3.09Å; L531-L659 HydrophobicContact CD2-CD2 3.66Å; L531-Y663 HydrophobicContact CD1-CD1 4.01Å; L531-Y663 HydrophobicContact CD1-CE1 3.61Å; L531-Y663 HydrophobicContact CD2-CD1 3.91Å; L531-Y663 HydrophobicContact CD2-CE1 3.59Å; L531-Y663 HydrophobicContact CD2-CE2 4.36Å; L531-Y663 HydrophobicContact CD2-CG 4.4Å; L531-Y663 HydrophobicContact CG-CE1 4.27Å |
| 532 | K | 93.2 | Very high | 92.2 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 61% | 0.613 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 174.2 | -66.4 | 176.7 | -177 | 175.8 | 0 | 111.1 | A529 S530 R535 Q536 | A529-K532 WeakPolarHBondContact O-CB 3.47Å; A529-K532 PolarHBondContact O-N 3.13Å; S530-K532 PolarHBondContact O-N 3.38Å; S530-K532 VanDerWaalsContact O-N 3.17Å; K532-R535 WeakPolarHBondContact O-CB 3.5Å; K532-R535 PolarHBondContact O-N 3.03Å; K532-Q536 PolarHBondContact O-N 2.72Å; K532-Q536 VanDerWaalsContact O-N 3.12Å |
| 533 | I | 94.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 175.8 | -55.1 | -57.5 | 0 | 0 | 0 | 110.3 | L514 L517 A518 E521 A529 S530 R535 Q536 L537 | L514-I533 HydrophobicContact CD2-CG2 4.43Å; L514-I533 WeakPolarHBondContact O-CG2 3.3Å; L517-I533 HydrophobicContact CD2-CD1 3.94Å; L517-I533 HydrophobicContact CD2-CG2 4.5Å; L517-I533 HydrophobicContact CG-CD1 4.32Å; L517-I533 HydrophobicContact CG-CG1 4.42Å; A518-I533 HydrophobicContact CB-CB 3.99Å; A518-I533 HydrophobicContact CB-CG2 3.85Å; E521-I533 HydrophobicContact CG-CG1 4.32Å; A529-I533 PolarHBondContact O-N 2.98Å; S530-I533 WeakPolarHBondContact O-CA 3.25Å; S530-I533 WeakPolarHBondContact O-CB 3.3Å; S530-I533 PolarHBondContact O-N 2.58Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; I533-Q536 CarbonylContact O-C 3.57Å; I533-Q536 WeakPolarHBondContact O-CA 3.4Å; I533-Q536 VanDerWaalsContact O-CB 3.3Å; I533-Q536 WeakPolarHBondContact O-CB 3.35Å; I533-Q536 PolarHBondContact O-N 2.91Å; I533-L537 PolarHBondContact O-N 3.48Å |
| 534 | Y | 95.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 174.3 | -77.9 | -65.7 | 0 | 0 | 0 | 113.8 | F515 A518 S530 Q536 L537 L538 I655 G658 L659 | F515-Y534 HydrophobicContact CD1-CE1 4.02Å; F515-Y534 HydrophobicContact CE1-CE1 4.1Å; A518-Y534 HydrophobicContact CB-CD2 4.27Å; A518-Y534 HydrophobicContact CB-CE1 4.47Å; A518-Y534 HydrophobicContact CB-CE2 3.81Å; S530-Y534 WeakPolarHBondContact O-CD2 3.34Å; S530-Y534 PolarHBondContact O-N 3.21Å; S530-Y534 VanDerWaalsContact OG-CE2 3.32Å; S530-Y534 WeakPolarHBondContact OG-CE2 3.24Å; Y534-Q536 VanDerWaalsContact C-N 3.32Å; Y534-L537 HydrophobicContact CD1-CD1 3.53Å; Y534-L537 HydrophobicContact CE1-CD1 3.8Å; Y534-L537 HydrophobicContact CG-CD1 4.35Å; Y534-L537 WeakPolarHBondContact O-CB 3.49Å; Y534-L537 PolarHBondContact O-N 2.83Å; Y534-L538 PolarHBondContact O-N 2.97Å; Y534-I655 HydrophobicContact CD1-CG2 4.24Å; Y534-G658 WeakPolarHBondContact CE2-O 3.37Å; Y534-G658 VanDerWaalsContact CZ-CA 3.41Å; Y534-G658 WeakPolarHBondContact OH-CA 3.21Å; Y534-L659 HydrophobicContact CD1-CG 4.14Å; Y534-L659 HydrophobicContact CD2-CD2 4.1Å; Y534-L659 HydrophobicContact CD2-CG 4.36Å; Y534-L659 HydrophobicContact CG-CD2 3.78Å; Y534-L659 HydrophobicContact CG-CG 3.82Å |
| 535 | R | 93.2 | Very high | 91 | Very high | 154 Ų | 154 | 60 Ų | 60 | 58% | 0.581 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 170.3 | -70.1 | 172 | -166.6 | 147.1 | 4.6 | 111.7 | L531 K532 I533 K539 | L531-R535 WeakPolarHBondContact O-CG 3.29Å; L531-R535 PolarHBondContact O-N 2.81Å; L531-R535 VanDerWaalsContact O-N 3.09Å; K532-R535 WeakPolarHBondContact O-CB 3.5Å; K532-R535 PolarHBondContact O-N 3.03Å; I533-R535 VanDerWaalsContact C-N 3.31Å; I533-R535 PolarHBondContact O-N 2.78Å; R535-K539 PolarHBondContact O-N 2.98Å |
| 536 | Q | 92.2 | Very high | 89.9 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 172.3 | 179.1 | -179.8 | -7.5 | 0 | 0 | 111.2 | K532 I533 Y534 L538 K539 V540 | K532-Q536 PolarHBondContact O-N 2.72Å; K532-Q536 VanDerWaalsContact O-N 3.12Å; I533-Q536 CarbonylContact O-C 3.57Å; I533-Q536 WeakPolarHBondContact O-CA 3.4Å; I533-Q536 VanDerWaalsContact O-CB 3.3Å; I533-Q536 WeakPolarHBondContact O-CB 3.35Å; I533-Q536 PolarHBondContact O-N 2.91Å; Y534-Q536 VanDerWaalsContact C-N 3.32Å; Q536-L538 PolarHBondContact O-N 3.46Å; Q536-K539 CarbonylContact O-C 3.58Å; Q536-K539 WeakPolarHBondContact O-CA 3.45Å; Q536-K539 WeakPolarHBondContact O-CB 3.35Å; Q536-K539 PolarHBondContact O-N 2.89Å; Q536-K539 VanDerWaalsContact O-N 3.08Å; Q536-V540 HydrophobicContact CG-CG2 4.31Å; Q536-V540 WeakPolarHBondContact O-CG2 3.48Å; Q536-V540 PolarHBondContact O-N 3.47Å |
| 537 | L | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.3 | -47.3 | 174.5 | -85.5 | 163.9 | 0 | 0 | 0 | 111.9 | F511 L514 F515 I533 Y534 K539 V540 W541 I655 | F511-L537 HydrophobicContact CD1-CD2 3.53Å; F511-L537 HydrophobicContact CE1-CD2 4.16Å; L514-L537 HydrophobicContact CB-CD1 4.36Å; L514-L537 HydrophobicContact CB-CD2 3.46Å; L514-L537 VanDerWaalsContact CB-CD2 3.46Å; L514-L537 HydrophobicContact CB-CG 3.86Å; L514-L537 HydrophobicContact CD1-CD2 3.82Å; L514-L537 HydrophobicContact CD1-CG 4.34Å; L514-L537 HydrophobicContact CG-CD2 4.28Å; F515-L537 HydrophobicContact CD1-CD1 3.72Å; F515-L537 HydrophobicContact CD1-CD2 4.5Å; F515-L537 HydrophobicContact CE1-CD1 3.83Å; F515-L537 HydrophobicContact CE1-CD2 4.34Å; F515-L537 HydrophobicContact CG-CD1 4.48Å; F515-L537 HydrophobicContact CZ-CD2 4.43Å; I533-L537 PolarHBondContact O-N 3.48Å; Y534-L537 HydrophobicContact CD1-CD1 3.53Å; Y534-L537 HydrophobicContact CE1-CD1 3.8Å; Y534-L537 HydrophobicContact CG-CD1 4.35Å; Y534-L537 WeakPolarHBondContact O-CB 3.49Å; Y534-L537 PolarHBondContact O-N 2.83Å; L537-K539 VanDerWaalsContact C-N 3.31Å; L537-K539 PolarHBondContact O-N 3.48Å; L537-V540 PolarHBondContact O-N 2.91Å; L537-W541 VanDerWaalsContact O-CB 3.25Å; L537-W541 WeakPolarHBondContact O-CB 3.19Å; L537-W541 PolarHBondContact O-N 3.44Å; L537-I655 HydrophobicContact CB-CD1 4.16Å; L537-I655 HydrophobicContact CB-CG1 4.2Å; L537-I655 HydrophobicContact CB-CG2 4.39Å |
| 538 | L | 92.3 | Very high | 85.7 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.5 | -75.3 | 174.3 | 0 | 0 | 0 | 112.4 | Y534 Q536 R542 I655 L659 | Y534-L538 PolarHBondContact O-N 2.97Å; Q536-L538 PolarHBondContact O-N 3.46Å; L538-R542 VanDerWaalsContact O-CB 3.29Å; L538-R542 WeakPolarHBondContact O-CB 3.13Å; L538-R542 PolarHBondContact O-N 3.38Å; L538-I655 HydrophobicContact CD2-CB 4.43Å; L538-I655 HydrophobicContact CD2-CD1 4.44Å; L538-I655 HydrophobicContact CD2-CG2 3.56Å; L538-I655 HydrophobicContact CG-CG2 3.7Å; L538-L659 HydrophobicContact CD1-CD1 4.07Å |
| 539 | K | 91.4 | Very high | 83.1 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 175.2 | -176 | -177 | 174.7 | -171.7 | 0 | 110.9 | R535 Q536 L537 W541 R542 D543 | R535-K539 PolarHBondContact O-N 2.98Å; Q536-K539 CarbonylContact O-C 3.58Å; Q536-K539 WeakPolarHBondContact O-CA 3.45Å; Q536-K539 WeakPolarHBondContact O-CB 3.35Å; Q536-K539 PolarHBondContact O-N 2.89Å; Q536-K539 VanDerWaalsContact O-N 3.08Å; L537-K539 VanDerWaalsContact C-N 3.31Å; L537-K539 PolarHBondContact O-N 3.48Å; K539-W541 VanDerWaalsContact C-N 3.34Å; K539-W541 PolarHBondContact O-N 3.37Å; K539-R542 PolarHBondContact O-N 2.68Å; K539-D543 WeakPolarHBondContact CG-OD2 3.36Å; K539-D543 WeakPolarHBondContact O-CB 3.48Å; K539-D543 PolarHBondContact O-N 2.92Å |
| 540 | V | 91.2 | Very high | 80.5 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 9% | 0.085 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | N509 F511 L514 Q536 L537 D543 T544 | N509-V540 HydrophobicContact CB-CG1 3.99Å; F511-V540 HydrophobicContact CE1-CB 4.24Å; F511-V540 HydrophobicContact CE1-CG1 3.76Å; F511-V540 HydrophobicContact CZ-CG1 3.96Å; L514-V540 HydrophobicContact CD1-CG2 4.25Å; Q536-V540 HydrophobicContact CG-CG2 4.31Å; Q536-V540 WeakPolarHBondContact O-CG2 3.48Å; Q536-V540 PolarHBondContact O-N 3.47Å; L537-V540 PolarHBondContact O-N 2.91Å; V540-D543 PolarHBondContact O-N 3.23Å; V540-T544 VanDerWaalsContact O-CB 3.32Å; V540-T544 WeakPolarHBondContact O-CB 3Å; V540-T544 PolarHBondContact O-N 3.35Å; V540-T544 PolarHBondContact O-OG1 3.19Å |
| 541 | W | 91.6 | Very high | 77.9 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -51 | 174 | 177.6 | 91.2 | 0 | 0 | 0 | 111.9 | F511 L537 K539 D543 T544 F545 A648 Q652 I655 | F511-W541 HydrophobicContact CE1-CB 4.09Å; F511-W541 HydrophobicContact CZ-CB 4.01Å; L537-W541 VanDerWaalsContact O-CB 3.25Å; L537-W541 WeakPolarHBondContact O-CB 3.19Å; L537-W541 PolarHBondContact O-N 3.44Å; K539-W541 VanDerWaalsContact C-N 3.34Å; K539-W541 PolarHBondContact O-N 3.37Å; W541-D543 VanDerWaalsContact C-N 3.34Å; W541-D543 PolarHBondContact O-N 3.46Å; W541-T544 PolarHBondContact O-N 2.92Å; W541-F545 AromaticContact CD1-CD2 3.36Å; W541-F545 AromaticContact CD1-CE2 3.42Å; W541-F545 VanDerWaalsContact CD1-CE2 3.42Å; W541-F545 HydrophobicContact CD2-CD2 4.21Å; W541-F545 AromaticContact CE2-CD2 3.95Å; W541-F545 AromaticContact CG-CD2 3.84Å; W541-F545 HydrophobicContact CG-CD2 3.84Å; W541-F545 HydrophobicContact CG-CE2 4.23Å; W541-F545 AromaticContact NE1-CD2 3.42Å; W541-F545 AromaticContact NE1-CE2 3.67Å; W541-F545 WeakPolarHBondContact O-CB 3.33Å; W541-F545 VanDerWaalsContact O-CD2 3.24Å; W541-F545 WeakPolarHBondContact O-CD2 3.34Å; W541-F545 PolarHBondContact O-N 3.13Å; W541-A648 PolarHBondContact NE1-O 3.46Å; W541-Q652 HydrophobicContact CH2-CG 4.28Å; W541-Q652 HydrophobicContact CZ2-CB 3.88Å; W541-Q652 HydrophobicContact CZ2-CG 3.86Å; W541-I655 HydrophobicContact CB-CD1 3.76Å; W541-I655 HydrophobicContact CG-CD1 4.08Å |
| 542 | R | 88.5 | Confident | 75.2 | Confident | 139 Ų | 139 | 75 Ų | 75 | 53% | 0.525 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 177.4 | -175.5 | -171.6 | 67.5 | -172.4 | -0.5 | 110.2 | L538 K539 T544 F545 S546 | L538-R542 VanDerWaalsContact O-CB 3.29Å; L538-R542 WeakPolarHBondContact O-CB 3.13Å; L538-R542 PolarHBondContact O-N 3.38Å; K539-R542 PolarHBondContact O-N 2.68Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.02Å; R542-F545 PolarHBondContact O-N 3.46Å; R542-S546 VanDerWaalsContact O-CA 3.3Å; R542-S546 WeakPolarHBondContact O-CA 3.44Å; R542-S546 WeakPolarHBondContact O-CB 3.15Å; R542-S546 PolarHBondContact O-N 3.15Å; R542-S546 PolarHBondContact O-OG 3.37Å |
| 543 | D | 86.4 | Confident | 72.9 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.6 | -32.3 | -174.7 | -63 | -7.6 | 0 | 0 | 0 | 111.1 | K539 V540 W541 | K539-D543 WeakPolarHBondContact CG-OD2 3.36Å; K539-D543 WeakPolarHBondContact O-CB 3.48Å; K539-D543 PolarHBondContact O-N 2.92Å; V540-D543 PolarHBondContact O-N 3.23Å; W541-D543 VanDerWaalsContact C-N 3.34Å; W541-D543 PolarHBondContact O-N 3.46Å |
| 544 | T | 83.3 | Confident | 70 | Confident | 55 Ų | 55 | 76 Ų | 76 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78 | -38.5 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 113.3 | V540 W541 R542 W602 | V540-T544 VanDerWaalsContact O-CB 3.32Å; V540-T544 WeakPolarHBondContact O-CB 3Å; V540-T544 PolarHBondContact O-N 3.35Å; V540-T544 PolarHBondContact O-OG1 3.19Å; W541-T544 PolarHBondContact O-N 2.92Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.02Å; T544-W602 HydrophobicContact CG2-CH2 3.15Å; T544-W602 HydrophobicContact CG2-CZ2 3.58Å; T544-W602 HydrophobicContact CG2-CZ3 4.1Å |
| 545 | F | 81.5 | Confident | 67.2 | Low | 33 Ų | 33 | 81.1 Ų | 81.1 | 15% | 0.145 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -101.9 | -3.1 | -177.2 | -60.1 | -69.2 | 0 | 0 | 0 | 114.1 | F511 W541 R542 L547 W602 A648 | F511-F545 HydrophobicContact CE2-CE2 4.01Å; F511-F545 HydrophobicContact CE2-CZ 4.48Å; F511-F545 HydrophobicContact CZ-CE2 4.2Å; W541-F545 AromaticContact CD1-CD2 3.36Å; W541-F545 AromaticContact CD1-CE2 3.42Å; W541-F545 VanDerWaalsContact CD1-CE2 3.42Å; W541-F545 HydrophobicContact CD2-CD2 4.21Å; W541-F545 AromaticContact CE2-CD2 3.95Å; W541-F545 AromaticContact CG-CD2 3.84Å; W541-F545 HydrophobicContact CG-CD2 3.84Å; W541-F545 HydrophobicContact CG-CE2 4.23Å; W541-F545 AromaticContact NE1-CD2 3.42Å; W541-F545 AromaticContact NE1-CE2 3.67Å; W541-F545 WeakPolarHBondContact O-CB 3.33Å; W541-F545 VanDerWaalsContact O-CD2 3.24Å; W541-F545 WeakPolarHBondContact O-CD2 3.34Å; W541-F545 PolarHBondContact O-N 3.13Å; R542-F545 PolarHBondContact O-N 3.46Å; F545-L547 PolarHBondContact O-N 3.15Å; F545-W602 HydrophobicContact CE1-CZ2 4.14Å; F545-W602 HydrophobicContact CE2-CH2 4.49Å; F545-W602 HydrophobicContact CE2-CZ2 4.02Å; F545-W602 HydrophobicContact CZ-CH2 4.4Å; F545-W602 AromaticContact CZ-CZ2 3.52Å; F545-W602 HydrophobicContact CZ-CZ2 3.52Å; F545-A648 HydrophobicContact CB-CB 4.21Å; F545-A648 HydrophobicContact CD1-CB 3.46Å; F545-A648 VanDerWaalsContact CD1-CB 3.46Å; F545-A648 HydrophobicContact CD2-CB 3.86Å; F545-A648 HydrophobicContact CE1-CB 3.61Å; F545-A648 HydrophobicContact CE2-CB 4.02Å; F545-A648 HydrophobicContact CG-CB 3.58Å; F545-A648 HydrophobicContact CZ-CB 3.88Å |
| 546 | S | 68.3 | Low | 64.7 | Low | 70 Ų | 70 | 78.3 Ų | 78.3 | 49% | 0.49 | 42% | 0.419 | S | S | . | . | trans | -72.3 | 72.4 | 174.9 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | R542 G548 | R542-S546 VanDerWaalsContact O-CA 3.3Å; R542-S546 WeakPolarHBondContact O-CA 3.44Å; R542-S546 WeakPolarHBondContact O-CB 3.15Å; R542-S546 PolarHBondContact O-N 3.15Å; R542-S546 PolarHBondContact O-OG 3.37Å; S546-G548 PolarHBondContact O-N 3.1Å; S546-G548 VanDerWaalsContact O-N 3.11Å | ||
| 547 | L | 51.5 | Low | 62.1 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | trans | -65.5 | 108.9 | 162.3 | -69.4 | 127.1 | 0 | 0 | 0 | 107.4 | F545 P640 | F545-L547 PolarHBondContact O-N 3.15Å; L547-P640 HydrophobicContact CD1-CB 3.64Å; L547-P640 HydrophobicContact CD1-CG 3.82Å; L547-P640 HydrophobicContact CD2-CB 4.19Å; L547-P640 HydrophobicContact CD2-CG 4.17Å; L547-P640 HydrophobicContact CG-CG 4.48Å | ||
| 548 | G | 40.7 | Very low | 59.2 | Low | 64 Ų | 64 | 89 Ų | 89 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.9 | 137 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S546 N550 | S546-G548 PolarHBondContact O-N 3.1Å; S546-G548 VanDerWaalsContact O-N 3.11Å; G548-N550 PolarHBondContact O-N 2.91Å |
| 549 | S | 37.9 | Very low | 56.6 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 71% | 0.713 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.3 | -28.7 | 169.8 | -146.9 | 0 | 0 | 0 | 0 | 121.7 | ||
| 550 | N | 38.1 | Very low | 54.2 | Low | 133 Ų | 133 | 96.5 Ų | 96.5 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.6 | 179.1 | -73.2 | -12.1 | 0 | 0 | 0 | 113 | G548 V553 | G548-N550 PolarHBondContact O-N 2.91Å; N550-V553 PolarHBondContact O-N 3.26Å |
| 551 | S | 38.2 | Very low | 51.7 | Low | 50 Ų | 50 | 98.8 Ų | 98.8 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -32 | 176.5 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | V553 L554 F555 | S551-V553 PolarHBondContact O-N 3.43Å; S551-V553 VanDerWaalsContact O-N 3.15Å; S551-L554 PolarHBondContact O-N 3.22Å; S551-F555 WeakPolarHBondContact O-CB 3.28Å; S551-F555 PolarHBondContact O-N 2.94Å |
| 552 | K | 36.7 | Very low | 49.1 | Very low | 156 Ų | 156 | 100.9 Ų | 100.9 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.5 | -34.9 | 175.6 | -80.7 | -175.8 | 176.9 | 179 | 0 | 112.2 | N556 | K552-N556 VanDerWaalsContact O-CB 3.28Å; K552-N556 WeakPolarHBondContact O-CB 3.46Å; K552-N556 VanDerWaalsContact O-CG 3.27Å; K552-N556 PolarHBondContact O-N 2.89Å; K552-N556 VanDerWaalsContact O-N 3.13Å; K552-N556 PolarHBondContact O-ND2 3.22Å |
| 553 | V | 43.5 | Very low | 46.8 | Very low | 81 Ų | 81 | 99.3 Ų | 99.3 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.5 | -39.9 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | N550 S551 R557 | N550-V553 PolarHBondContact O-N 3.26Å; S551-V553 PolarHBondContact O-N 3.43Å; S551-V553 VanDerWaalsContact O-N 3.15Å; V553-R557 WeakPolarHBondContact O-CB 3.32Å; V553-R557 WeakPolarHBondContact O-CG 3.45Å; V553-R557 PolarHBondContact O-N 3.14Å; V553-R557 VanDerWaalsContact O-N 3.09Å |
| 554 | L | 33.2 | Very low | 44.2 | Very low | 91 Ų | 91 | 99.2 Ų | 99.2 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.1 | -44.3 | 177.4 | -98.6 | 162 | 0 | 0 | 0 | 112.4 | S551 N556 R557 M558 | S551-L554 PolarHBondContact O-N 3.22Å; L554-N556 VanDerWaalsContact C-N 3.31Å; L554-N556 PolarHBondContact O-N 3.04Å; L554-R557 PolarHBondContact O-N 3.07Å; L554-R557 VanDerWaalsContact O-N 3.14Å; L554-M558 PolarHBondContact O-N 3.27Å |
| 555 | F | 37.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 103.9 Ų | 103.9 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.9 | -41.7 | 177.2 | -128.2 | -88.1 | 0 | 0 | 0 | 110.8 | S551 R559 L649 | S551-F555 WeakPolarHBondContact O-CB 3.28Å; S551-F555 PolarHBondContact O-N 2.94Å; F555-R559 WeakPolarHBondContact O-CB 3.32Å; F555-R559 PolarHBondContact O-N 3.1Å; F555-L649 HydrophobicContact CE2-CD2 4.49Å; F555-L649 HydrophobicContact CZ-CD2 3.96Å |
| 556 | N | 40.8 | Very low | 39.3 | Very low | 95 Ų | 95 | 108.6 Ų | 108.6 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.2 | -32.2 | 175.4 | -77 | -13.3 | 0 | 0 | 0 | 113.2 | K552 L554 K560 | K552-N556 VanDerWaalsContact O-CB 3.28Å; K552-N556 WeakPolarHBondContact O-CB 3.46Å; K552-N556 VanDerWaalsContact O-CG 3.27Å; K552-N556 PolarHBondContact O-N 2.89Å; K552-N556 VanDerWaalsContact O-N 3.13Å; K552-N556 PolarHBondContact O-ND2 3.22Å; L554-N556 VanDerWaalsContact C-N 3.31Å; L554-N556 PolarHBondContact O-N 3.04Å; N556-K560 WeakPolarHBondContact O-CB 3.33Å; N556-K560 WeakPolarHBondContact O-CG 3.45Å; N556-K560 PolarHBondContact O-N 3.03Å |
| 557 | R | 37.1 | Very low | 37.5 | Very low | 184 Ų | 184 | 111.6 Ų | 111.6 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.9 | -43.6 | 176 | -84 | -177.1 | -177.5 | 171.4 | 0.9 | 112.3 | V553 L554 K560 A561 | V553-R557 WeakPolarHBondContact O-CB 3.32Å; V553-R557 WeakPolarHBondContact O-CG 3.45Å; V553-R557 PolarHBondContact O-N 3.14Å; V553-R557 VanDerWaalsContact O-N 3.09Å; L554-R557 PolarHBondContact O-N 3.07Å; L554-R557 VanDerWaalsContact O-N 3.14Å; R557-K560 PolarHBondContact O-N 3.28Å; R557-A561 PolarHBondContact O-N 3.24Å |
| 558 | M | 33.4 | Very low | 36.6 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 62% | 0.616 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 173.6 | -79.2 | -70.5 | -140.9 | 0 | 0 | 111.6 | L554 K560 A561 A562 | L554-M558 PolarHBondContact O-N 3.27Å; M558-K560 VanDerWaalsContact C-N 3.26Å; M558-K560 PolarHBondContact O-N 3.38Å; M558-A561 PolarHBondContact O-N 3.38Å; M558-A561 VanDerWaalsContact O-N 3.15Å; M558-A562 PolarHBondContact O-N 3.23Å |
| 559 | R | 37.3 | Very low | 36 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.9 | -35.4 | 174.5 | -167.3 | 176.7 | -172.2 | 168.1 | 4.4 | 112.4 | F555 V563 | F555-R559 WeakPolarHBondContact O-CB 3.32Å; F555-R559 PolarHBondContact O-N 3.1Å; R559-V563 VanDerWaalsContact O-CG2 3.24Å; R559-V563 WeakPolarHBondContact O-CG2 3.28Å; R559-V563 PolarHBondContact O-N 3.44Å |
| 560 | K | 40.3 | Very low | 35.6 | Very low | 159 Ų | 159 | 120.6 Ų | 120.6 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -42.2 | 172.2 | -78.7 | -171.5 | 175.9 | -167.9 | 0 | 112.2 | N556 R557 M558 A562 V563 S564 | N556-K560 WeakPolarHBondContact O-CB 3.33Å; N556-K560 WeakPolarHBondContact O-CG 3.45Å; N556-K560 PolarHBondContact O-N 3.03Å; R557-K560 PolarHBondContact O-N 3.28Å; M558-K560 VanDerWaalsContact C-N 3.26Å; M558-K560 PolarHBondContact O-N 3.38Å; K560-A562 VanDerWaalsContact C-N 3.28Å; K560-A562 PolarHBondContact O-N 2.89Å; K560-V563 CarbonylContact O-C 3.57Å; K560-V563 PolarHBondContact O-N 3.28Å; K560-S564 WeakPolarHBondContact O-CB 3.4Å; K560-S564 PolarHBondContact O-N 3.47Å; K560-S564 PolarHBondContact O-OG 2.88Å; K560-S564 VanDerWaalsContact O-OG 3.08Å |
| 561 | A | 39.9 | Very low | 35.1 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 51% | 0.512 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.5 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R557 M558 V563 | R557-A561 PolarHBondContact O-N 3.24Å; M558-A561 PolarHBondContact O-N 3.38Å; M558-A561 VanDerWaalsContact O-N 3.15Å; A561-V563 VanDerWaalsContact C-N 3.32Å |
| 562 | A | 37.3 | Very low | 34.6 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 70% | 0.702 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.6 | -20.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | M558 K560 | M558-A562 PolarHBondContact O-N 3.23Å; K560-A562 VanDerWaalsContact C-N 3.28Å; K560-A562 PolarHBondContact O-N 2.89Å |
| 563 | V | 39.7 | Very low | 34 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -101.8 | -24.7 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | R559 K560 A561 N565 | R559-V563 VanDerWaalsContact O-CG2 3.24Å; R559-V563 WeakPolarHBondContact O-CG2 3.28Å; R559-V563 PolarHBondContact O-N 3.44Å; K560-V563 CarbonylContact O-C 3.57Å; K560-V563 PolarHBondContact O-N 3.28Å; A561-V563 VanDerWaalsContact C-N 3.32Å; V563-N565 PolarHBondContact O-N 3.41Å |
| 564 | S | 31.5 | Very low | 33.3 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | trans | -80.2 | 65.5 | 176.4 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | K560 | K560-S564 WeakPolarHBondContact O-CB 3.4Å; K560-S564 PolarHBondContact O-N 3.47Å; K560-S564 PolarHBondContact O-OG 2.88Å; K560-S564 VanDerWaalsContact O-OG 3.08Å | ||
| 565 | N | 32 | Very low | 32.9 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -115 | 21.9 | 161.2 | -108.9 | 7.9 | 0 | 0 | 0 | 111.2 | V563 | V563-N565 PolarHBondContact O-N 3.41Š| ||
| 566 | D | 30 | Very low | 32.4 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -119.8 | 102.7 | 176 | -79.8 | -36 | 0 | 0 | 0 | 110.9 | ||
| 567 | N | 31.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 46.7 | 75.7 | 138.3 | -58.6 | -31.2 | 0 | 0 | 0 | 118.8 | ||||
| 568 | D | 31 | Very low | 31 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -108.2 | 77 | 152.8 | -80.8 | -29.1 | 0 | 0 | 0 | 109.5 | T570 | D568-T570 PolarHBondContact O-N 3.22Š| ||
| 569 | I | 30.2 | Very low | 30.4 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -82.7 | 89.8 | 163.8 | -60.4 | 170.9 | 0 | 0 | 0 | 106.9 | ||||
| 570 | T | 29.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -148.1 | 102.4 | 159.1 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | D568 | D568-T570 PolarHBondContact O-N 3.22Š| ||
| 571 | N | 26.1 | Very low | 28.9 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 45.3 | 108.8 | 137.3 | -63.6 | -15.1 | 0 | 0 | 0 | 119.7 | ||||
| 572 | S | 28.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | -164 | 117.4 | 121.1 | 57.8 | 0 | 0 | 0 | 0 | 111 | T574 | S572-T574 PolarHBondContact O-N 3.47Š| |||
| 573 | N | 23.8 | Very low | 27.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 120.8 | 173.8 | -63.3 | -31.5 | 0 | 0 | 0 | 111.5 | ||||
| 574 | T | 29.4 | Very low | 26.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 102.5 | 148.5 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | S572 | S572-T574 PolarHBondContact O-N 3.47Š| ||
| 575 | T | 23.5 | Very low | 26.2 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -55 | 133.5 | 162.8 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 576 | D | 27.5 | Very low | 25.7 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | -174.2 | 126.4 | 127.2 | -86.9 | -12.6 | 0 | 0 | 0 | 110.3 | |||||
| 577 | D | 21.8 | Very low | 25.2 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -58.2 | 124 | -175.7 | -72.7 | -50.2 | 0 | 0 | 0 | 113.9 | ||||
| 578 | L | 26.3 | Very low | 24.8 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -140 | 84.6 | 144.5 | -81.6 | 177.7 | 0 | 0 | 0 | 108.8 | L580 | L578-L580 PolarHBondContact O-N 3.44Š| ||
| 579 | T | 22.1 | Very low | 24.3 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 104.1 | 167.1 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 580 | L | 24.4 | Very low | 24 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -122.7 | 119.2 | 150.9 | -145.6 | 85.8 | 0 | 0 | 0 | 109 | L578 | L578-L580 PolarHBondContact O-N 3.44Š| ||
| 581 | S | 21.4 | Very low | 23.6 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -72.2 | 158.3 | -169.5 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 582 | S | 23.7 | Very low | 23.5 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 80.5 | 99.1 | 150.1 | 61.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 583 | A | 24.2 | Very low | 23.2 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | 61 | 71.4 | 123.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 584 | S | 22.6 | Very low | 23.3 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -102.8 | 103.2 | 139.9 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | F586 | S584-F586 VanDerWaalsContact C-N 3.32Å; S584-F586 PolarHBondContact O-N 2.94Å | ||
| 585 | S | 21.9 | Very low | 23.1 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -58.7 | 98.3 | 166.2 | 38.6 | 0 | 0 | 0 | 0 | 107.9 | S587 | S585-S587 PolarHBondContact O-N 3.23Š| ||
| 586 | F | 20.8 | Very low | 23.1 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -64.7 | 79.9 | 162.1 | -80.9 | -89.3 | 0 | 0 | 0 | 107.8 | S584 P588 | S584-F586 VanDerWaalsContact C-N 3.32Å; S584-F586 PolarHBondContact O-N 2.94Å; F586-P588 WeakPolarHBondContact O-CD 3.48Å | ||
| 587 | S | 19.8 | Very low | 23.2 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | -78.6 | 114.8 | 155.5 | -62.8 | 0 | 0 | 0 | 0 | 105.3 | S585 S589 | S585-S587 PolarHBondContact O-N 3.23Å; S587-S589 PolarHBondContact O-N 3.48Å | ||
| 588 | P | 22.2 | Very low | 23.5 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | trans | -68.5 | 93.5 | 170.6 | 28.6 | -28 | 0 | 0 | 0 | 105.5 | F586 L590 | F586-P588 WeakPolarHBondContact O-CD 3.48Å; P588-L590 PolarHBondContact O-N 3.02Å | ||
| 589 | S | 21.5 | Very low | 23.7 | Very low | 97 Ų | 97 | 111 Ų | 111 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | -60.5 | 93.1 | 161.4 | 45.3 | 0 | 0 | 0 | 0 | 105.6 | S587 E591 | S587-S589 PolarHBondContact O-N 3.48Å; S589-E591 PolarHBondContact O-N 2.83Å | ||
| 590 | L | 22.5 | Very low | 24 | Very low | 153 Ų | 153 | 107 Ų | 107 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | trans | -53.5 | 90.9 | 155.7 | -83 | 153 | 0 | 0 | 0 | 104.9 | P588 L592 | P588-L590 PolarHBondContact O-N 3.02Å; L590-L592 PolarHBondContact O-N 2.78Å | ||
| 591 | E | 22.3 | Very low | 24.3 | Very low | 162 Ų | 162 | 101.7 Ų | 101.7 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | trans | -58.6 | 94.8 | 162.2 | -71.8 | 180 | 167.5 | 0 | 0 | 104.6 | S589 D593 | S589-E591 PolarHBondContact O-N 2.83Å; E591-D593 PolarHBondContact O-N 2.71Å | ||
| 592 | L | 22.4 | Very low | 24.6 | Very low | 139 Ų | 139 | 100.9 Ų | 100.9 | 73% | 0.728 | 59% | 0.589 | S | S | * | * | trans | -63.9 | 87.2 | 165.8 | -70.2 | 167.3 | 0 | 0 | 0 | 104.7 | L590 D594 | L590-L592 PolarHBondContact O-N 2.78Å; L592-D594 PolarHBondContact O-N 3.5Å | ||
| 593 | D | 23.7 | Very low | 24.5 | Very low | 114 Ų | 114 | 102 Ų | 102 | 61% | 0.61 | 58% | 0.582 | S | S | * | * | trans | -60.9 | 83.8 | 165.2 | -83.6 | -17.4 | 0 | 0 | 0 | 106.6 | E591 D595 | E591-D593 PolarHBondContact O-N 2.71Å; D593-D595 PolarHBondContact O-N 3.49Å | ||
| 594 | D | 24.7 | Very low | 24.6 | Very low | 137 Ų | 137 | 103.6 Ų | 103.6 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -66.2 | 8.2 | 176.5 | -101 | -16 | 0 | 0 | 0 | 112.9 | L592 C596 | L592-D594 PolarHBondContact O-N 3.5Å; D594-C596 PolarHBondContact O-N 2.98Å | ||
| 595 | D | 26.7 | Very low | 24.9 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | trans | -74.6 | 69.3 | 165.5 | -73 | -24.3 | 0 | 0 | 0 | 110.8 | D593 S597 | D593-D595 PolarHBondContact O-N 3.49Å; D595-S597 PolarHBondContact O-N 2.65Å | ||
| 596 | C | 23.4 | Very low | 25.1 | Very low | 117 Ų | 117 | 106.4 Ų | 106.4 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | trans | -68.4 | 60 | 154.2 | -89.3 | 0 | 0 | 0 | 0 | 109.9 | D594 | D594-C596 PolarHBondContact O-N 2.98Š| ||
| 597 | S | 29.5 | Very low | 25.4 | Very low | 25 Ų | 25 | 105.3 Ų | 105.3 | 18% | 0.175 | 57% | 0.57 | C | S | . | * | trans | -140.9 | 78.1 | 166 | 65.3 | 0 | 0 | 0 | 0 | 109 | D595 L599 R806 | D595-S597 PolarHBondContact O-N 2.65Å; S597-L599 PolarHBondContact O-N 2.74Å; S597-R806 PolarHBondContact OG-NH1 3.41Å | ||
| 598 | I | 27.6 | Very low | 25.8 | Very low | 32 Ų | 32 | 104.8 Ų | 104.8 | 16% | 0.164 | 56% | 0.559 | C | S | . | * | G | 310 helix | trans | -47.5 | -22 | 153.9 | -66 | 171.5 | 0 | 0 | 0 | 110.4 | N600 V601 K650 V651 | I598-N600 PolarHBondContact O-N 2.9Å; I598-V601 PolarHBondContact O-N 3.48Å; I598-V601 VanDerWaalsContact O-N 3.17Å; I598-K650 VanDerWaalsContact CD1-C 3.4Å; I598-K650 HydrophobicContact CD1-CB 3.62Å; I598-K650 WeakPolarHBondContact CD1-O 3.4Å; I598-K650 HydrophobicContact CG1-CB 3.8Å; I598-K650 HydrophobicContact CG1-CD 4.4Å; I598-V651 HydrophobicContact CD1-CG2 4.05Å; I598-V651 HydrophobicContact CG2-CG2 3.71Å |
| 599 | L | 30.1 | Very low | 26.2 | Very low | 48 Ų | 48 | 103.7 Ų | 103.7 | 25% | 0.251 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -46.5 | -26.1 | -175.3 | -62.7 | 160 | 0 | 0 | 0 | 115.6 | S597 | S597-L599 PolarHBondContact O-N 2.74Š|
| 600 | N | 29 | Very low | 26.9 | Very low | 42 Ų | 42 | 104.5 Ų | 104.5 | 23% | 0.225 | 55% | 0.551 | C | S | . | * | G | 310 helix | trans | -101.8 | -6.2 | -176.3 | -78 | 20.9 | 0 | 0 | 0 | 115.9 | I598 W602 R806 | I598-N600 PolarHBondContact O-N 2.9Å; N600-W602 VanDerWaalsContact C-N 3.32Å; N600-W602 PolarHBondContact O-N 3.17Å; N600-R806 WeakPolarHBondContact ND2-CD 3.23Å |
| 601 | V | 29.8 | Very low | 27.7 | Very low | 63 Ų | 63 | 102.5 Ų | 102.5 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18 | -168 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | I598 T647 | I598-V601 PolarHBondContact O-N 3.48Å; I598-V601 VanDerWaalsContact O-N 3.17Å; V601-T647 HydrophobicContact CB-CG2 4.45Å; V601-T647 HydrophobicContact CG1-CG2 3.88Å; V601-T647 HydrophobicContact CG2-CG2 3.94Å |
| 602 | W | 27.3 | Very low | 28.6 | Very low | 84 Ų | 84 | 95.6 Ų | 95.6 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 25 | -164.2 | -78.3 | 43.9 | 0 | 0 | 0 | 115.2 | N509 F511 T544 F545 N600 E604 | N509-W602 HydrophobicContact CB-CZ3 3.95Å; N509-W602 WeakPolarHBondContact O-CZ3 3.28Å; F511-W602 HydrophobicContact CD2-CD2 4.16Å; F511-W602 AromaticContact CD2-CE3 3.88Å; F511-W602 HydrophobicContact CD2-CE3 3.88Å; F511-W602 AromaticContact CD2-CH2 3.66Å; F511-W602 HydrophobicContact CD2-CH2 3.66Å; F511-W602 AromaticContact CD2-CZ2 3.98Å; F511-W602 HydrophobicContact CD2-CZ2 3.98Å; F511-W602 AromaticContact CD2-CZ3 3.6Å; F511-W602 HydrophobicContact CD2-CZ3 3.6Å; F511-W602 HydrophobicContact CE2-CD2 4.37Å; F511-W602 HydrophobicContact CE2-CE3 4.08Å; F511-W602 AromaticContact CE2-CH2 2.97Å; F511-W602 HydrophobicContact CE2-CH2 2.97Å; F511-W602 AromaticContact CE2-CZ2 3.37Å; F511-W602 HydrophobicContact CE2-CZ2 3.37Å; F511-W602 AromaticContact CE2-CZ3 3.38Å; F511-W602 HydrophobicContact CE2-CZ3 3.38Å; F511-W602 AromaticContact CZ-CH2 3.71Å; F511-W602 HydrophobicContact CZ-CH2 3.71Å; F511-W602 HydrophobicContact CZ-CZ2 4.37Å; F511-W602 HydrophobicContact CZ-CZ3 4.14Å; T544-W602 HydrophobicContact CG2-CH2 3.15Å; T544-W602 HydrophobicContact CG2-CZ2 3.58Å; T544-W602 HydrophobicContact CG2-CZ3 4.1Å; F545-W602 HydrophobicContact CE1-CZ2 4.14Å; F545-W602 HydrophobicContact CE2-CH2 4.49Å; F545-W602 HydrophobicContact CE2-CZ2 4.02Å; F545-W602 HydrophobicContact CZ-CH2 4.4Å; F545-W602 AromaticContact CZ-CZ2 3.52Å; F545-W602 HydrophobicContact CZ-CZ2 3.52Å; N600-W602 VanDerWaalsContact C-N 3.32Å; N600-W602 PolarHBondContact O-N 3.17Å; W602-E604 PolarHBondContact O-N 3.45Å |
| 603 | E | 23.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 96 Ų | 96 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | trans | -76.8 | 70.4 | 159.1 | -74.7 | -173.9 | 161.4 | 0 | 0 | 109.8 | ||||
| 604 | E | 25.7 | Very low | 30.5 | Very low | 136 Ų | 136 | 92.7 Ų | 92.7 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | trans | -112.7 | 123.5 | 166.5 | -86.4 | -152.4 | 131.4 | 0 | 0 | 111.5 | W602 | W602-E604 PolarHBondContact O-N 3.45Š| ||
| 605 | K | 27.6 | Very low | 31.1 | Very low | 163 Ų | 163 | 87.3 Ų | 87.3 | 71% | 0.709 | 46% | 0.46 | S | S | * | . | trans | 42.9 | 114 | 139.4 | -61.1 | 170.3 | -176.5 | 142.2 | 0 | 116.5 | ||||
| 606 | T | 27.1 | Very low | 31.8 | Very low | 97 Ų | 97 | 87.7 Ų | 87.7 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | 176.8 | 134.5 | 122.4 | 28.9 | 0 | 0 | 0 | 0 | 111.6 | I608 | T606-I608 PolarHBondContact O-N 3.29Å; T606-I608 VanDerWaalsContact O-N 3.1Å | |||
| 607 | N | 26.3 | Very low | 32.8 | Very low | 170 Ų | 170 | 84.6 Ų | 84.6 | 91% | 0.909 | 44% | 0.441 | S | S | * | . | trans | -64.7 | 99.3 | 167.7 | -76.5 | -20.8 | 0 | 0 | 0 | 109.5 | ||||
| 608 | I | 29.3 | Very low | 33.1 | Very low | 83 Ų | 83 | 87 Ų | 87 | 43% | 0.426 | 45% | 0.452 | S | S | . | . | trans | -135 | 84.3 | 165 | -54.4 | 177.1 | 0 | 0 | 0 | 106.7 | T606 | T606-I608 PolarHBondContact O-N 3.29Å; T606-I608 VanDerWaalsContact O-N 3.1Å | ||
| 609 | S | 30.6 | Very low | 33.6 | Very low | 91 Ų | 91 | 91.6 Ų | 91.6 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -83.2 | 136.4 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 610 | N | 36.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 93.2 Ų | 93.2 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 95.8 | 9.9 | 150.1 | -53.6 | -11.5 | 0 | 0 | 0 | 120.5 | ||
| 611 | Y | 38.2 | Very low | 34.6 | Very low | 111 Ų | 111 | 97.6 Ų | 97.6 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.9 | -36.9 | 171.5 | -115 | -92 | 0 | 0 | 0 | 114.4 | S614 A615 T627 | Y611-S614 PolarHBondContact O-N 2.97Å; Y611-S614 PolarHBondContact O-OG 3.43Å; Y611-A615 WeakPolarHBondContact O-CB 3.24Å; Y611-A615 PolarHBondContact O-N 3.31Å; Y611-T627 WeakPolarHBondContact CE1-OG1 3.32Å; Y611-T627 WeakPolarHBondContact OH-CB 3.35Å; Y611-T627 WeakPolarHBondContact OH-CG2 3.21Å; Y611-T627 PolarHBondContact OH-OG1 3.38Å |
| 612 | L | 41.6 | Very low | 34.4 | Very low | 17 Ų | 17 | 97.5 Ų | 97.5 | 9% | 0.089 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -74.3 | -33.3 | -174.3 | -149.1 | 149.8 | 0 | 0 | 0 | 111.6 | V502 S614 A615 L616 | V502-L612 HydrophobicContact CG1-CD1 4.06Å; V502-L612 HydrophobicContact CG1-CG 3.99Å; L612-S614 VanDerWaalsContact C-N 3.34Å; L612-A615 PolarHBondContact O-N 2.82Å; L612-L616 HydrophobicContact CD2-CD1 3.47Å; L612-L616 VanDerWaalsContact CD2-CD1 3.47Å; L612-L616 HydrophobicContact CD2-CG 3.82Å; L612-L616 WeakPolarHBondContact O-CB 3.35Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.13Å |
| 613 | Q | 43.6 | Very low | 34.4 | Very low | 147 Ų | 147 | 97.8 Ų | 97.8 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 173.8 | -165.6 | 165.7 | 8.5 | 0 | 0 | 111.4 | S617 | Q613-S617 PolarHBondContact O-N 2.93Å; Q613-S617 PolarHBondContact O-OG 2.84Å; Q613-S617 VanDerWaalsContact O-OG 3.12Å |
| 614 | S | 42.3 | Very low | 34.7 | Very low | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -41.4 | 173.6 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | Y611 L612 L616 S617 D618 | Y611-S614 PolarHBondContact O-N 2.97Å; Y611-S614 PolarHBondContact O-OG 3.43Å; L612-S614 VanDerWaalsContact C-N 3.34Å; S614-L616 VanDerWaalsContact C-N 3.35Å; S614-L616 PolarHBondContact O-N 3.21Å; S614-S617 WeakPolarHBondContact CA-OG 3.43Å; S614-S617 PolarHBondContact O-N 2.8Å; S614-S617 PolarHBondContact O-OG 3.38Å; S614-D618 WeakPolarHBondContact O-CB 3.44Å; S614-D618 PolarHBondContact O-N 3.27Å |
| 615 | A | 37.9 | Very low | 34.8 | Very low | 25 Ų | 25 | 95.3 Ų | 95.3 | 21% | 0.207 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -63.5 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y611 L612 I619 | Y611-A615 WeakPolarHBondContact O-CB 3.24Å; Y611-A615 PolarHBondContact O-N 3.31Å; L612-A615 PolarHBondContact O-N 2.82Å; A615-I619 WeakPolarHBondContact O-CB 3.44Å; A615-I619 WeakPolarHBondContact O-CD1 3.39Å; A615-I619 WeakPolarHBondContact O-CG1 3.47Å; A615-I619 PolarHBondContact O-N 3.25Å |
| 616 | L | 40.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70 | -38.3 | 174.9 | -73.1 | 174.4 | 0 | 0 | 0 | 112.2 | L612 S614 A620 | L612-L616 HydrophobicContact CD2-CD1 3.47Å; L612-L616 VanDerWaalsContact CD2-CD1 3.47Å; L612-L616 HydrophobicContact CD2-CG 3.82Å; L612-L616 WeakPolarHBondContact O-CB 3.35Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.13Å; S614-L616 VanDerWaalsContact C-N 3.35Å; S614-L616 PolarHBondContact O-N 3.21Å; L616-A620 WeakPolarHBondContact O-CB 3.41Å; L616-A620 PolarHBondContact O-N 3.13Å; L616-A620 VanDerWaalsContact O-N 3.1Å |
| 617 | S | 44.6 | Very low | 34.9 | Very low | 53 Ų | 53 | 97.2 Ų | 97.2 | 37% | 0.371 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.5 | -35.7 | 173.4 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | Q613 S614 A620 I621 | Q613-S617 PolarHBondContact O-N 2.93Å; Q613-S617 PolarHBondContact O-OG 2.84Å; Q613-S617 VanDerWaalsContact O-OG 3.12Å; S614-S617 WeakPolarHBondContact CA-OG 3.43Å; S614-S617 PolarHBondContact O-N 2.8Å; S614-S617 PolarHBondContact O-OG 3.38Å; S617-A620 CarbonylContact O-C 3.51Å; S617-A620 WeakPolarHBondContact O-CB 3.36Å; S617-A620 PolarHBondContact O-N 3.12Å; S617-I621 WeakPolarHBondContact O-CB 3.48Å; S617-I621 WeakPolarHBondContact O-CG1 3.31Å; S617-I621 PolarHBondContact O-N 3.38Å |
| 618 | D | 35.7 | Very low | 34.9 | Very low | 74 Ų | 74 | 92.9 Ų | 92.9 | 40% | 0.396 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76 | -30.6 | -179.5 | -67.1 | -17.9 | 0 | 0 | 0 | 111.6 | S614 A620 I621 G622 C623 | S614-D618 WeakPolarHBondContact O-CB 3.44Å; S614-D618 PolarHBondContact O-N 3.27Å; D618-A620 VanDerWaalsContact C-N 3.34Å; D618-I621 PolarHBondContact O-N 3.43Å; D618-G622 WeakPolarHBondContact O-CA 3.44Å; D618-G622 PolarHBondContact O-N 3.39Å; D618-C623 PolarHBondContact O-N 3.13Å |
| 619 | I | 38.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 93.8 Ų | 93.8 | 66% | 0.662 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.6 | -34.3 | 168.3 | -70.5 | 165.1 | 0 | 0 | 0 | 110.7 | A615 I621 | A615-I619 WeakPolarHBondContact O-CB 3.44Å; A615-I619 WeakPolarHBondContact O-CD1 3.39Å; A615-I619 WeakPolarHBondContact O-CG1 3.47Å; A615-I619 PolarHBondContact O-N 3.25Å; I619-I621 VanDerWaalsContact C-N 3.34Å |
| 620 | A | 42.5 | Very low | 34.2 | Very low | 83 Ų | 83 | 95 Ų | 95 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.4 | -25.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L616 S617 D618 | L616-A620 WeakPolarHBondContact O-CB 3.41Å; L616-A620 PolarHBondContact O-N 3.13Å; L616-A620 VanDerWaalsContact O-N 3.1Å; S617-A620 CarbonylContact O-C 3.51Å; S617-A620 WeakPolarHBondContact O-CB 3.36Å; S617-A620 PolarHBondContact O-N 3.12Å; D618-A620 VanDerWaalsContact C-N 3.34Å |
| 621 | I | 36.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 97.4 Ų | 97.4 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -111.8 | -6.5 | -175.3 | -61.2 | 173.1 | 0 | 0 | 0 | 113.5 | S617 D618 I619 | S617-I621 WeakPolarHBondContact O-CB 3.48Å; S617-I621 WeakPolarHBondContact O-CG1 3.31Å; S617-I621 PolarHBondContact O-N 3.38Å; D618-I621 PolarHBondContact O-N 3.43Å; I619-I621 VanDerWaalsContact C-N 3.34Å |
| 622 | G | 26.4 | Very low | 32.7 | Very low | 61 Ų | 61 | 98.1 Ų | 98.1 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.7 | 26.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D618 | D618-G622 WeakPolarHBondContact O-CA 3.44Å; D618-G622 PolarHBondContact O-N 3.39Å |
| 623 | C | 27.4 | Very low | 31.9 | Very low | 91 Ų | 91 | 103.1 Ų | 103.1 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | trans | -105 | 114.5 | 179.4 | -75.8 | 0 | 0 | 0 | 0 | 112 | D618 | D618-C623 PolarHBondContact O-N 3.13Š| ||
| 624 | V | 28.6 | Very low | 31 | Very low | 153 Ų | 153 | 104 Ų | 104 | 93% | 0.927 | 66% | 0.664 | S | S | * | * | trans | -97.4 | 120.9 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 625 | G | 27.7 | Very low | 29.9 | Very low | 64 Ų | 64 | 107 Ų | 107 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | trans | 137.9 | 133.1 | 147 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 626 | Q | 26.7 | Very low | 29.2 | Very low | 193 Ų | 193 | 117.5 Ų | 117.5 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | trans | 90.6 | 91.4 | 152.1 | -53.2 | -176.3 | 13.4 | 0 | 0 | 117.5 | ||||
| 627 | T | 31.2 | Very low | 28.5 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -147.9 | 110.4 | 149.6 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | Y611 | Y611-T627 WeakPolarHBondContact CE1-OG1 3.32Å; Y611-T627 WeakPolarHBondContact OH-CB 3.35Å; Y611-T627 WeakPolarHBondContact OH-CG2 3.21Å; Y611-T627 PolarHBondContact OH-OG1 3.38Å | ||
| 628 | G | 25.7 | Very low | 27.7 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -118.4 | 127.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 629 | A | 24.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -161.5 | 104.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 630 | S | 20.9 | Very low | 26.8 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 27.7 | 113.4 | 142.2 | -159.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 631 | I | 23 | Very low | 26.8 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -90 | 125.7 | 173.4 | -62.4 | 168.7 | 0 | 0 | 0 | 109.9 | ||
| 632 | V | 21.4 | Very low | 27.3 | Very low | 125 Ų | 125 | 126 Ų | 126 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 136.7 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 633 | P | 23.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 134.6 | -168 | -8.1 | 26.2 | 0 | 0 | 0 | 114.3 | ||
| 634 | L | 24.2 | Very low | 30 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.2 | 178.9 | -79.3 | 150.5 | 0 | 0 | 0 | 113.8 | ||
| 635 | S | 21.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.1 | -176 | 44.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 636 | R | 22.9 | Very low | 34.2 | Very low | 245 Ų | 245 | 123 Ų | 123 | 93% | 0.925 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.3 | -179.8 | -67.8 | 174.1 | -178.4 | 177.7 | 0.4 | 113.9 | ||
| 637 | Q | 26.2 | Very low | 36.6 | Very low | 177 Ų | 177 | 114.6 Ų | 114.6 | 83% | 0.827 | 65% | 0.648 | S | S | * | * | trans | -140.8 | 130.4 | 160.7 | -72.1 | -169.2 | -4.8 | 0 | 0 | 113.6 | ||||
| 638 | S | 27.8 | Very low | 39.2 | Very low | 109 Ų | 109 | 110 Ų | 110 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | trans | 39.1 | 144.2 | 151.8 | 59.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 639 | R | 25.5 | Very low | 42.1 | Very low | 234 Ų | 234 | 109 Ų | 109 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | trans | -37 | 139.1 | -173.7 | -71.3 | 176.9 | 175.4 | 161.3 | -1.5 | 115.4 | S641 | R639-S641 PolarHBondContact O-N 2.91Š| ||
| 640 | P | 29.5 | Very low | 45 | Very low | 38 Ų | 38 | 107.5 Ų | 107.5 | 25% | 0.247 | 57% | 0.571 | C | S | . | * | trans | -71 | 122.8 | -179.8 | 31.4 | -31.1 | 0 | 0 | 0 | 109.4 | L547 N644 | L547-P640 HydrophobicContact CD1-CB 3.64Å; L547-P640 HydrophobicContact CD1-CG 3.82Å; L547-P640 HydrophobicContact CD2-CB 4.19Å; L547-P640 HydrophobicContact CD2-CG 4.17Å; L547-P640 HydrophobicContact CG-CG 4.48Å; P640-N644 HydrophobicContact CB-CB 4.17Å | ||
| 641 | S | 41.9 | Very low | 48.3 | Very low | 62 Ų | 62 | 102 Ų | 102 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | trans | -58.3 | 153.3 | 167.4 | 57.3 | 0 | 0 | 0 | 0 | 110 | R639 Q643 N644 | R639-S641 PolarHBondContact O-N 2.91Å; S641-Q643 PolarHBondContact O-N 3.44Å; S641-N644 PolarHBondContact O-N 2.92Å | ||
| 642 | N | 47.4 | Very low | 51.6 | Low | 131 Ų | 131 | 95 Ų | 95 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -49.7 | -32.5 | 175 | -74.7 | -5.3 | 0 | 0 | 0 | 111.8 | N644 Q645 T646 | N642-N644 PolarHBondContact O-N 3.41Å; N642-Q645 WeakPolarHBondContact O-CB 3.4Å; N642-Q645 PolarHBondContact O-N 3.32Å; N642-Q645 VanDerWaalsContact O-N 3.13Å; N642-T646 PolarHBondContact O-N 3.48Å; N642-T646 PolarHBondContact O-OG1 3.29Å |
| 643 | Q | 52.1 | Low | 54.9 | Low | 98 Ų | 98 | 90.2 Ų | 90.2 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 178.8 | -163.9 | 179.2 | -12.2 | 0 | 0 | 113.5 | S641 Q645 T646 T647 | S641-Q643 PolarHBondContact O-N 3.44Å; Q643-Q645 PolarHBondContact O-N 2.65Å; Q643-T646 PolarHBondContact O-N 3.45Å; Q643-T647 WeakPolarHBondContact O-CG2 3.12Å; Q643-T647 PolarHBondContact O-N 3.39Å; Q643-T647 PolarHBondContact O-OG1 3.1Å |
| 644 | N | 58.5 | Low | 58.2 | Low | 79 Ų | 79 | 87.8 Ų | 87.8 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -30 | 174.1 | -73.4 | 7.4 | 0 | 0 | 0 | 111.2 | P640 S641 N642 T647 A648 | P640-N644 HydrophobicContact CB-CB 4.17Å; S641-N644 PolarHBondContact O-N 2.92Å; N642-N644 PolarHBondContact O-N 3.41Å; N644-T647 WeakPolarHBondContact CA-OG1 3.44Å; N644-T647 PolarHBondContact O-OG1 2.92Å; N644-T647 VanDerWaalsContact O-OG1 3.09Å; N644-A648 VanDerWaalsContact O-CB 3.27Å; N644-A648 WeakPolarHBondContact O-CB 3.47Å; N644-A648 PolarHBondContact O-N 3.33Å; N644-A648 VanDerWaalsContact O-N 3.08Å |
| 645 | Q | 68.5 | Low | 61.6 | Low | 58 Ų | 58 | 80 Ų | 80 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.5 | -46.2 | 175.2 | -61 | 179.7 | 6.1 | 0 | 0 | 111.1 | N642 Q643 T647 A648 L649 | N642-Q645 WeakPolarHBondContact O-CB 3.4Å; N642-Q645 PolarHBondContact O-N 3.32Å; N642-Q645 VanDerWaalsContact O-N 3.13Å; Q643-Q645 PolarHBondContact O-N 2.65Å; Q645-T647 VanDerWaalsContact C-N 3.3Å; Q645-T647 PolarHBondContact O-N 3.23Å; Q645-A648 WeakPolarHBondContact O-CB 3.34Å; Q645-A648 PolarHBondContact O-N 2.91Å; Q645-L649 VanDerWaalsContact O-CG 3.31Å; Q645-L649 WeakPolarHBondContact O-CG 3.46Å; Q645-L649 PolarHBondContact O-N 3.11Å |
| 646 | T | 75.5 | Confident | 65.1 | Low | 71 Ų | 71 | 77 Ų | 77 | 44% | 0.436 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 177.4 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | N642 Q643 L649 K650 | N642-T646 PolarHBondContact O-N 3.48Å; N642-T646 PolarHBondContact O-OG1 3.29Å; Q643-T646 PolarHBondContact O-N 3.45Å; T646-L649 PolarHBondContact O-N 3.36Å; T646-K650 WeakPolarHBondContact O-CG 3.31Å; T646-K650 PolarHBondContact O-N 2.88Å |
| 647 | T | 77.6 | Confident | 68.5 | Low | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 178.7 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | V601 Q643 N644 Q645 L649 K650 V651 | V601-T647 HydrophobicContact CB-CG2 4.45Å; V601-T647 HydrophobicContact CG1-CG2 3.88Å; V601-T647 HydrophobicContact CG2-CG2 3.94Å; Q643-T647 WeakPolarHBondContact O-CG2 3.12Å; Q643-T647 PolarHBondContact O-N 3.39Å; Q643-T647 PolarHBondContact O-OG1 3.1Å; N644-T647 WeakPolarHBondContact CA-OG1 3.44Å; N644-T647 PolarHBondContact O-OG1 2.92Å; N644-T647 VanDerWaalsContact O-OG1 3.09Å; Q645-T647 VanDerWaalsContact C-N 3.3Å; Q645-T647 PolarHBondContact O-N 3.23Å; T647-L649 VanDerWaalsContact C-N 3.34Å; T647-L649 PolarHBondContact O-N 2.92Å; T647-K650 PolarHBondContact O-N 2.9Å; T647-V651 WeakPolarHBondContact O-CG2 3.29Å; T647-V651 PolarHBondContact O-N 3.38Å |
| 648 | A | 84.3 | Confident | 71.7 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W541 F545 N644 Q645 V651 Q652 | W541-A648 PolarHBondContact NE1-O 3.46Å; F545-A648 HydrophobicContact CB-CB 4.21Å; F545-A648 HydrophobicContact CD1-CB 3.46Å; F545-A648 VanDerWaalsContact CD1-CB 3.46Å; F545-A648 HydrophobicContact CD2-CB 3.86Å; F545-A648 HydrophobicContact CE1-CB 3.61Å; F545-A648 HydrophobicContact CE2-CB 4.02Å; F545-A648 HydrophobicContact CG-CB 3.58Å; F545-A648 HydrophobicContact CZ-CB 3.88Å; N644-A648 VanDerWaalsContact O-CB 3.27Å; N644-A648 WeakPolarHBondContact O-CB 3.47Å; N644-A648 PolarHBondContact O-N 3.33Å; N644-A648 VanDerWaalsContact O-N 3.08Å; Q645-A648 WeakPolarHBondContact O-CB 3.34Å; Q645-A648 PolarHBondContact O-N 2.91Å; A648-V651 PolarHBondContact O-N 2.97Å; A648-Q652 WeakPolarHBondContact O-CB 3.49Å; A648-Q652 PolarHBondContact O-N 3.41Å |
| 649 | L | 87.5 | Confident | 74.9 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 179.3 | -64.2 | 171.8 | 0 | 0 | 0 | 111.4 | F555 Q645 T646 T647 V651 Q652 I653 I682 | F555-L649 HydrophobicContact CE2-CD2 4.49Å; F555-L649 HydrophobicContact CZ-CD2 3.96Å; Q645-L649 VanDerWaalsContact O-CG 3.31Å; Q645-L649 WeakPolarHBondContact O-CG 3.46Å; Q645-L649 PolarHBondContact O-N 3.11Å; T646-L649 PolarHBondContact O-N 3.36Å; T647-L649 VanDerWaalsContact C-N 3.34Å; T647-L649 PolarHBondContact O-N 2.92Å; L649-V651 VanDerWaalsContact C-N 3.34Å; L649-V651 PolarHBondContact O-N 3.17Å; L649-Q652 WeakPolarHBondContact O-CB 3.5Å; L649-Q652 PolarHBondContact O-N 2.64Å; L649-Q652 VanDerWaalsContact O-N 3.17Å; L649-I653 VanDerWaalsContact O-CG1 3.31Å; L649-I653 WeakPolarHBondContact O-CG1 3.49Å; L649-I653 PolarHBondContact O-N 3.06Å; L649-I682 HydrophobicContact CB-CG2 4.26Å; L649-I682 HydrophobicContact CD2-CG2 3.91Å |
| 650 | K | 86.4 | Confident | 78.2 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 175.9 | -75.1 | -172.2 | 176.1 | -169.7 | 0 | 111.7 | I598 T646 T647 K654 | I598-K650 VanDerWaalsContact CD1-C 3.4Å; I598-K650 HydrophobicContact CD1-CB 3.62Å; I598-K650 WeakPolarHBondContact CD1-O 3.4Å; I598-K650 HydrophobicContact CG1-CB 3.8Å; I598-K650 HydrophobicContact CG1-CD 4.4Å; T646-K650 WeakPolarHBondContact O-CG 3.31Å; T646-K650 PolarHBondContact O-N 2.88Å; T647-K650 PolarHBondContact O-N 2.9Å; K650-K654 PolarHBondContact O-N 3.4Å; K650-K654 VanDerWaalsContact O-N 3.17Å |
| 651 | V | 89.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | F511 I598 T647 A648 L649 I653 K654 I655 | F511-V651 HydrophobicContact CD1-CG1 3.9Å; F511-V651 HydrophobicContact CD2-CG1 3.84Å; F511-V651 HydrophobicContact CD2-CG2 4.14Å; F511-V651 HydrophobicContact CE1-CG1 3.91Å; F511-V651 HydrophobicContact CE2-CG1 3.73Å; F511-V651 HydrophobicContact CE2-CG2 4.25Å; F511-V651 HydrophobicContact CG-CG1 3.91Å; F511-V651 HydrophobicContact CZ-CG1 3.84Å; I598-V651 HydrophobicContact CD1-CG2 4.05Å; I598-V651 HydrophobicContact CG2-CG2 3.71Å; T647-V651 WeakPolarHBondContact O-CG2 3.29Å; T647-V651 PolarHBondContact O-N 3.38Å; A648-V651 PolarHBondContact O-N 2.97Å; L649-V651 VanDerWaalsContact C-N 3.34Å; L649-V651 PolarHBondContact O-N 3.17Å; V651-I653 VanDerWaalsContact C-N 3.34Å; V651-I653 PolarHBondContact O-N 2.68Å; V651-K654 PolarHBondContact O-N 3.48Å; V651-I655 HydrophobicContact CG1-CD1 3.93Å; V651-I655 HydrophobicContact CG1-CG1 4.33Å; V651-I655 WeakPolarHBondContact O-CG1 3.29Å; V651-I655 PolarHBondContact O-N 2.99Å |
| 652 | Q | 92 | Very high | 83.7 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 179.7 | -165 | 179.1 | 8.5 | 0 | 0 | 112 | W541 A648 L649 I655 Y656 I682 | W541-Q652 HydrophobicContact CH2-CG 4.28Å; W541-Q652 HydrophobicContact CZ2-CB 3.88Å; W541-Q652 HydrophobicContact CZ2-CG 3.86Å; A648-Q652 WeakPolarHBondContact O-CB 3.49Å; A648-Q652 PolarHBondContact O-N 3.41Å; L649-Q652 WeakPolarHBondContact O-CB 3.5Å; L649-Q652 PolarHBondContact O-N 2.64Å; L649-Q652 VanDerWaalsContact O-N 3.17Å; Q652-I655 PolarHBondContact O-N 2.65Å; Q652-Y656 HydrophobicContact CG-CD2 4.04Å; Q652-Y656 HydrophobicContact CG-CE2 3.73Å; Q652-Y656 VanDerWaalsContact O-CD2 3.31Å; Q652-Y656 WeakPolarHBondContact O-CD2 3.34Å; Q652-Y656 PolarHBondContact O-N 3.09Å; Q652-Y656 VanDerWaalsContact O-N 3.1Å; Q652-I682 HydrophobicContact CB-CD1 4.37Å; Q652-I682 HydrophobicContact CG-CD1 3.82Å |
| 653 | I | 90.7 | Very high | 86 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 174.3 | -71.3 | 162.8 | 0 | 0 | 0 | 110 | L649 V651 I655 Y656 Q657 V679 I682 | L649-I653 VanDerWaalsContact O-CG1 3.31Å; L649-I653 WeakPolarHBondContact O-CG1 3.49Å; L649-I653 PolarHBondContact O-N 3.06Å; V651-I653 VanDerWaalsContact C-N 3.34Å; V651-I653 PolarHBondContact O-N 2.68Å; I653-I655 VanDerWaalsContact C-N 3.3Å; I653-I655 PolarHBondContact O-N 3.14Å; I653-Y656 PolarHBondContact O-N 2.84Å; I653-Y656 VanDerWaalsContact O-N 3.15Å; I653-Q657 HydrophobicContact CG2-CG 4.29Å; I653-Q657 VanDerWaalsContact CG2-NE2 3.32Å; I653-Q657 WeakPolarHBondContact O-CG 3.29Å; I653-Q657 PolarHBondContact O-N 3.32Å; I653-V679 HydrophobicContact CG1-CG1 4.46Å; I653-V679 HydrophobicContact CG2-CG1 3.87Å; I653-I682 HydrophobicContact CD1-CG2 3.92Å; I653-I682 HydrophobicContact CG1-CB 4.29Å; I653-I682 HydrophobicContact CG1-CG2 3.8Å |
| 654 | K | 93.4 | Very high | 88 | Confident | 72 Ų | 72 | 30 Ų | 30 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.7 | -34.8 | 179.6 | -168.7 | 173.6 | 175.4 | 178.7 | 0 | 113 | F515 K650 V651 G658 | F515-K654 HydrophobicContact CD2-CD 4Å; F515-K654 HydrophobicContact CD2-CG 4.47Å; F515-K654 HydrophobicContact CE1-CB 4.45Å; F515-K654 HydrophobicContact CE1-CG 3.98Å; F515-K654 HydrophobicContact CE2-CB 4.33Å; F515-K654 HydrophobicContact CE2-CD 3.6Å; F515-K654 HydrophobicContact CE2-CG 3.89Å; F515-K654 HydrophobicContact CZ-CB 3.83Å; F515-K654 HydrophobicContact CZ-CD 3.89Å; F515-K654 HydrophobicContact CZ-CG 3.61Å; K650-K654 PolarHBondContact O-N 3.4Å; K650-K654 VanDerWaalsContact O-N 3.17Å; V651-K654 PolarHBondContact O-N 3.48Å; K654-G658 PolarHBondContact O-N 3.23Å |
| 655 | I | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.5 | -65.5 | 169.1 | 0 | 0 | 0 | 111.2 | F511 F515 Y534 L537 L538 W541 V651 Q652 I653 G658 L659 | F511-I655 HydrophobicContact CE1-CD1 4.49Å; F515-I655 HydrophobicContact CE1-CB 4.46Å; F515-I655 HydrophobicContact CE1-CG1 3.86Å; F515-I655 HydrophobicContact CZ-CG1 3.67Å; Y534-I655 HydrophobicContact CD1-CG2 4.24Å; L537-I655 HydrophobicContact CB-CD1 4.16Å; L537-I655 HydrophobicContact CB-CG1 4.2Å; L537-I655 HydrophobicContact CB-CG2 4.39Å; L538-I655 HydrophobicContact CD2-CB 4.43Å; L538-I655 HydrophobicContact CD2-CD1 4.44Å; L538-I655 HydrophobicContact CD2-CG2 3.56Å; L538-I655 HydrophobicContact CG-CG2 3.7Å; W541-I655 HydrophobicContact CB-CD1 3.76Å; W541-I655 HydrophobicContact CG-CD1 4.08Å; V651-I655 HydrophobicContact CG1-CD1 3.93Å; V651-I655 HydrophobicContact CG1-CG1 4.33Å; V651-I655 WeakPolarHBondContact O-CG1 3.29Å; V651-I655 PolarHBondContact O-N 2.99Å; Q652-I655 PolarHBondContact O-N 2.65Å; I653-I655 VanDerWaalsContact C-N 3.3Å; I653-I655 PolarHBondContact O-N 3.14Å; I655-G658 PolarHBondContact O-N 2.85Å; I655-L659 HydrophobicContact CG2-CD1 4.25Å; I655-L659 PolarHBondContact O-N 3.06Å |
| 656 | Y | 95.6 | Very high | 90.6 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 18% | 0.176 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.5 | -33.6 | 179.8 | -73.7 | -58.7 | 0 | 0 | 0 | 113.2 | Q652 I653 L659 A660 E678 V679 I682 | Q652-Y656 HydrophobicContact CG-CD2 4.04Å; Q652-Y656 HydrophobicContact CG-CE2 3.73Å; Q652-Y656 VanDerWaalsContact O-CD2 3.31Å; Q652-Y656 WeakPolarHBondContact O-CD2 3.34Å; Q652-Y656 PolarHBondContact O-N 3.09Å; Q652-Y656 VanDerWaalsContact O-N 3.1Å; I653-Y656 PolarHBondContact O-N 2.84Å; I653-Y656 VanDerWaalsContact O-N 3.15Å; Y656-L659 HydrophobicContact CD1-CD1 3.94Å; Y656-L659 HydrophobicContact CE1-CD1 4.37Å; Y656-L659 PolarHBondContact O-N 3.48Å; Y656-A660 WeakPolarHBondContact O-CB 3.23Å; Y656-A660 PolarHBondContact O-N 3.33Å; Y656-E678 HydrophobicContact CD1-CB 4.31Å; Y656-E678 HydrophobicContact CD2-CB 4.21Å; Y656-E678 HydrophobicContact CE1-CB 4.26Å; Y656-E678 HydrophobicContact CE1-CG 4.45Å; Y656-E678 HydrophobicContact CE2-CB 4.1Å; Y656-E678 HydrophobicContact CG-CB 4.3Å; Y656-V679 HydrophobicContact CG-CG2 4.44Å; Y656-I682 HydrophobicContact CD2-CD1 3.94Å; Y656-I682 HydrophobicContact CE2-CD1 3.91Å |
| 657 | Q | 94.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 170.7 | -73.3 | 169.6 | -12.1 | 0 | 0 | 111.4 | I653 A660 E661 V679 D686 T689 L692 | I653-Q657 HydrophobicContact CG2-CG 4.29Å; I653-Q657 VanDerWaalsContact CG2-NE2 3.32Å; I653-Q657 WeakPolarHBondContact O-CG 3.29Å; I653-Q657 PolarHBondContact O-N 3.32Å; Q657-A660 PolarHBondContact O-N 3.36Å; Q657-E661 PolarHBondContact O-N 2.86Å; Q657-V679 HydrophobicContact CG-CG2 4.28Å; Q657-D686 PolarHBondContact NE2-OD1 3.32Å; Q657-D686 PolarHBondContact NE2-OD2 2.66Å; Q657-T689 PolarHBondContact NE2-OG1 3.12Å; Q657-L692 HydrophobicContact CB-CD1 3.88Å; Q657-L692 HydrophobicContact CG-CD1 4.24Å; Q657-L692 WeakPolarHBondContact O-CD1 3.39Å |
| 658 | G | 93.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y534 K654 I655 E661 S662 | Y534-G658 WeakPolarHBondContact CE2-O 3.37Å; Y534-G658 VanDerWaalsContact CZ-CA 3.41Å; Y534-G658 WeakPolarHBondContact OH-CA 3.21Å; K654-G658 PolarHBondContact O-N 3.23Å; I655-G658 PolarHBondContact O-N 2.85Å; G658-E661 PolarHBondContact O-N 3.21Å; G658-S662 PolarHBondContact O-N 3.17Å |
| 659 | L | 95.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 171 | -83.1 | 168.8 | 0 | 0 | 0 | 112 | L531 Y534 L538 I655 Y656 E661 S662 Y663 A675 | L531-L659 HydrophobicContact CD2-CD2 3.66Å; Y534-L659 HydrophobicContact CD1-CG 4.14Å; Y534-L659 HydrophobicContact CD2-CD2 4.1Å; Y534-L659 HydrophobicContact CD2-CG 4.36Å; Y534-L659 HydrophobicContact CG-CD2 3.78Å; Y534-L659 HydrophobicContact CG-CG 3.82Å; L538-L659 HydrophobicContact CD1-CD1 4.07Å; I655-L659 HydrophobicContact CG2-CD1 4.25Å; I655-L659 PolarHBondContact O-N 3.06Å; Y656-L659 HydrophobicContact CD1-CD1 3.94Å; Y656-L659 HydrophobicContact CE1-CD1 4.37Å; Y656-L659 PolarHBondContact O-N 3.48Å; L659-E661 VanDerWaalsContact C-N 3.34Å; L659-S662 PolarHBondContact O-N 2.81Å; L659-Y663 HydrophobicContact CB-CD2 4.43Å; L659-Y663 HydrophobicContact CB-CE2 4.24Å; L659-Y663 HydrophobicContact CD2-CE2 4.24Å; L659-Y663 WeakPolarHBondContact O-CB 3.42Å; L659-Y663 WeakPolarHBondContact O-CD2 3.45Å; L659-Y663 PolarHBondContact O-N 3.27Å; L659-A675 HydrophobicContact CB-CB 4.42Å |
| 660 | A | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y656 Q657 Y663 L664 A675 L676 L692 | Y656-A660 WeakPolarHBondContact O-CB 3.23Å; Y656-A660 PolarHBondContact O-N 3.33Å; Q657-A660 PolarHBondContact O-N 3.36Å; A660-Y663 PolarHBondContact O-N 2.78Å; A660-L664 VanDerWaalsContact O-CG 3.32Å; A660-L664 WeakPolarHBondContact O-CG 3.36Å; A660-L664 PolarHBondContact O-N 3.41Å; A660-A675 HydrophobicContact CB-CB 3.94Å; A660-L676 HydrophobicContact CB-CD1 4.43Å; A660-L676 HydrophobicContact CB-CD2 3.88Å; A660-L676 HydrophobicContact CB-CG 3.76Å; A660-L692 HydrophobicContact CB-CD1 4.37Å |
| 661 | E | 93.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.5 | -50.8 | 174.2 | -171.8 | 165.8 | -151.1 | 0 | 0 | 111.2 | Q657 G658 L659 Y663 L664 D665 L692 R695 | Q657-E661 PolarHBondContact O-N 2.86Å; G658-E661 PolarHBondContact O-N 3.21Å; L659-E661 VanDerWaalsContact C-N 3.34Å; E661-Y663 VanDerWaalsContact C-N 3.34Å; E661-Y663 PolarHBondContact O-N 3.37Å; E661-L664 WeakPolarHBondContact O-CB 3.33Å; E661-L664 PolarHBondContact O-N 3.49Å; E661-D665 PolarHBondContact O-N 2.91Å; E661-L692 HydrophobicContact CB-CD2 3.94Å; E661-L692 HydrophobicContact CG-CD2 4.28Å; E661-R695 IonicContact OE1-NH1 3.63Å |
| 662 | S | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -33 | 179.2 | -168.3 | 0 | 0 | 0 | 0 | 113.4 | E522 P527 S530 G658 L659 D665 N666 | E522-S662 VanDerWaalsContact OE1-CA 3.31Å; E522-S662 WeakPolarHBondContact OE1-CA 3.08Å; E522-S662 WeakPolarHBondContact OE1-CB 3.5Å; E522-S662 PolarHBondContact OE1-OG 2.93Å; E522-S662 PolarHBondContact OE2-OG 3.17Å; P527-S662 PolarHBondContact O-OG 3.32Å; S530-S662 WeakPolarHBondContact CB-OG 3.28Å; G658-S662 PolarHBondContact O-N 3.17Å; L659-S662 PolarHBondContact O-N 2.81Å; S662-D665 PolarHBondContact O-N 3.08Å; S662-N666 WeakPolarHBondContact O-CB 3.35Å; S662-N666 PolarHBondContact O-N 2.68Å |
| 663 | Y | 94.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 172.6 | -75 | -47.6 | 0 | 0 | 0 | 112.6 | L531 L659 A660 E661 N666 N667 Q668 E671 A675 | L531-Y663 HydrophobicContact CD1-CD1 4.01Å; L531-Y663 HydrophobicContact CD1-CE1 3.61Å; L531-Y663 HydrophobicContact CD2-CD1 3.91Å; L531-Y663 HydrophobicContact CD2-CE1 3.59Å; L531-Y663 HydrophobicContact CD2-CE2 4.36Å; L531-Y663 HydrophobicContact CD2-CG 4.4Å; L531-Y663 HydrophobicContact CG-CE1 4.27Å; L659-Y663 HydrophobicContact CB-CD2 4.43Å; L659-Y663 HydrophobicContact CB-CE2 4.24Å; L659-Y663 HydrophobicContact CD2-CE2 4.24Å; L659-Y663 WeakPolarHBondContact O-CB 3.42Å; L659-Y663 WeakPolarHBondContact O-CD2 3.45Å; L659-Y663 PolarHBondContact O-N 3.27Å; A660-Y663 PolarHBondContact O-N 2.78Å; E661-Y663 VanDerWaalsContact C-N 3.34Å; E661-Y663 PolarHBondContact O-N 3.37Å; Y663-N666 CarbonylContact O-C 3.5Å; Y663-N666 PolarHBondContact O-N 3.27Å; Y663-N667 PolarHBondContact O-N 3.07Å; Y663-Q668 HydrophobicContact CD1-CB 4.02Å; Y663-Q668 VanDerWaalsContact CD1-OE1 3.29Å; Y663-Q668 HydrophobicContact CG-CB 4.45Å; Y663-Q668 WeakPolarHBondContact O-CA 3.43Å; Y663-Q668 PolarHBondContact O-N 2.9Å; Y663-E671 HydrophobicContact CD1-CB 3.86Å; Y663-E671 HydrophobicContact CD2-CB 3.88Å; Y663-E671 HydrophobicContact CE1-CB 3.97Å; Y663-E671 HydrophobicContact CE2-CB 3.98Å; Y663-E671 HydrophobicContact CG-CB 3.83Å; Y663-A675 HydrophobicContact CD2-CB 4.42Å |
| 664 | L | 93.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.5 | -74.4 | 170.9 | 0 | 0 | 0 | 110.7 | A660 E661 N666 N667 L669 A672 L692 R695 L696 | A660-L664 VanDerWaalsContact O-CG 3.32Å; A660-L664 WeakPolarHBondContact O-CG 3.36Å; A660-L664 PolarHBondContact O-N 3.41Å; E661-L664 WeakPolarHBondContact O-CB 3.33Å; E661-L664 PolarHBondContact O-N 3.49Å; L664-N666 PolarHBondContact O-N 2.88Å; L664-N667 PolarHBondContact O-N 2.97Å; L664-L669 HydrophobicContact CD2-CD2 3.97Å; L664-A672 HydrophobicContact CD2-CB 3.9Å; L664-A672 HydrophobicContact CG-CB 3.85Å; L664-L692 HydrophobicContact CD1-CD2 4.29Å; L664-R695 HydrophobicContact CD1-CB 3.94Å; L664-L696 HydrophobicContact CD2-CB 4.02Å; L664-L696 HydrophobicContact CD2-CD1 3.7Å; L664-L696 HydrophobicContact CD2-CG 4.47Å |
| 665 | D | 90.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67 | -21.8 | 179.3 | -65.6 | -14.4 | 0 | 0 | 0 | 112.4 | P527 E661 S662 R695 | P527-D665 HydrophobicContact CG-CB 4.25Å; E661-D665 PolarHBondContact O-N 2.91Å; S662-D665 PolarHBondContact O-N 3.08Å; D665-R695 IonicContact OD1-CZ 3.21Å; D665-R695 IonicContact OD1-NH1 2.65Å; D665-R695 IonicContact OD1-NH2 2.8Å; D665-R695 PolarHBondContact OD1-NH2 3.27Å |
| 666 | N | 91.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 42.3 Ų | 42.3 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 9.8 | 172 | -160.1 | 36 | 0 | 0 | 0 | 114.3 | P527 S662 Y663 L664 Q668 | P527-N666 HydrophobicContact CB-CB 3.7Å; P527-N666 HydrophobicContact CG-CB 4.2Å; S662-N666 WeakPolarHBondContact O-CB 3.35Å; S662-N666 PolarHBondContact O-N 2.68Å; Y663-N666 CarbonylContact O-C 3.5Å; Y663-N666 PolarHBondContact O-N 3.27Å; L664-N666 PolarHBondContact O-N 2.88Å; N666-Q668 HydrophobicContact CB-CG 4.36Å; N666-Q668 PolarHBondContact ND2-OE1 3.05Å; N666-Q668 PolarHBondContact O-N 3.43Å |
| 667 | N | 91.2 | Very high | 93.7 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 66% | 0.663 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23 | -174.7 | -67.4 | -44.1 | 0 | 0 | 0 | 115.1 | Y663 L664 L669 | Y663-N667 PolarHBondContact O-N 3.07Å; L664-N667 PolarHBondContact O-N 2.97Å; N667-L669 PolarHBondContact O-N 3.25Å |
| 668 | Q | 93.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | trans | -91.3 | 71 | 177.6 | -71.4 | -170.7 | -74.3 | 0 | 0 | 110.7 | Y663 N666 F670 E671 A672 | Y663-Q668 HydrophobicContact CD1-CB 4.02Å; Y663-Q668 VanDerWaalsContact CD1-OE1 3.29Å; Y663-Q668 HydrophobicContact CG-CB 4.45Å; Y663-Q668 WeakPolarHBondContact O-CA 3.43Å; Y663-Q668 PolarHBondContact O-N 2.9Å; N666-Q668 HydrophobicContact CB-CG 4.36Å; N666-Q668 PolarHBondContact ND2-OE1 3.05Å; N666-Q668 PolarHBondContact O-N 3.43Å; Q668-F670 VanDerWaalsContact C-N 3.25Å; Q668-F670 PolarHBondContact O-N 2.61Å; Q668-E671 HydrophobicContact CB-CB 4.29Å; Q668-E671 WeakPolarHBondContact CB-OE2 3.34Å; Q668-E671 PolarHBondContact NE2-OE1 3.39Å; Q668-E671 PolarHBondContact O-N 2.95Å; Q668-A672 WeakPolarHBondContact O-CB 3.01Å; Q668-A672 PolarHBondContact O-N 3.37Å | ||
| 669 | L | 94.3 | Very high | 93.5 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.9 | -21.7 | -172.4 | -55.9 | -176.7 | 0 | 0 | 0 | 114.3 | L664 N667 K673 L696 E699 R700 | L664-L669 HydrophobicContact CD2-CD2 3.97Å; N667-L669 PolarHBondContact O-N 3.25Å; L669-K673 PolarHBondContact O-N 2.91Å; L669-L696 HydrophobicContact CB-CD1 4.15Å; L669-L696 HydrophobicContact CD2-CD1 4.14Å; L669-L696 WeakPolarHBondContact O-CD1 3.49Å; L669-E699 HydrophobicContact CD1-CB 4.36Å; L669-E699 HydrophobicContact CD2-CB 3.69Å; L669-E699 HydrophobicContact CD2-CG 4.28Å; L669-R700 HydrophobicContact CD1-CG 4.19Å; L669-R700 PolarHBondContact O-NH2 3.35Å |
| 670 | F | 94.2 | Very high | 93.2 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -78.8 | -50.1 | 177.9 | -178.4 | -96 | 0 | 0 | 0 | 110.1 | Q668 A672 K673 E674 | Q668-F670 VanDerWaalsContact C-N 3.25Å; Q668-F670 PolarHBondContact O-N 2.61Å; F670-A672 VanDerWaalsContact C-N 3.34Å; F670-A672 PolarHBondContact O-N 3.01Å; F670-K673 WeakPolarHBondContact O-CA 3.49Å; F670-K673 VanDerWaalsContact O-CB 3.29Å; F670-K673 WeakPolarHBondContact O-CB 3.21Å; F670-K673 PolarHBondContact O-N 3.45Å; F670-K673 VanDerWaalsContact O-N 3.08Å; F670-E674 HydrophobicContact CD1-CG 4.35Å; F670-E674 VanDerWaalsContact CE1-CD 3.41Å; F670-E674 HydrophobicContact CE1-CG 3.98Å; F670-E674 WeakPolarHBondContact CE1-OE1 3.36Å; F670-E674 HydrophobicContact CZ-CG 4.32Å; F670-E674 WeakPolarHBondContact CZ-OE1 2.84Å; F670-E674 PolarHBondContact O-N 2.83Å |
| 671 | E | 94.5 | Very high | 92.9 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 178.6 | -60.7 | 91.6 | 142.5 | 0 | 0 | 111.8 | Y663 Q668 K673 E674 A675 | Y663-E671 HydrophobicContact CD1-CB 3.86Å; Y663-E671 HydrophobicContact CD2-CB 3.88Å; Y663-E671 HydrophobicContact CE1-CB 3.97Å; Y663-E671 HydrophobicContact CE2-CB 3.98Å; Y663-E671 HydrophobicContact CG-CB 3.83Å; Q668-E671 HydrophobicContact CB-CB 4.29Å; Q668-E671 WeakPolarHBondContact CB-OE2 3.34Å; Q668-E671 PolarHBondContact NE2-OE1 3.39Å; Q668-E671 PolarHBondContact O-N 2.95Å; E671-K673 VanDerWaalsContact C-N 3.3Å; E671-K673 PolarHBondContact O-N 3.35Å; E671-E674 PolarHBondContact O-N 2.88Å; E671-A675 PolarHBondContact O-N 2.92Å |
| 672 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | L664 Q668 F670 L676 L696 | L664-A672 HydrophobicContact CD2-CB 3.9Å; L664-A672 HydrophobicContact CG-CB 3.85Å; Q668-A672 WeakPolarHBondContact O-CB 3.01Å; Q668-A672 PolarHBondContact O-N 3.37Å; F670-A672 VanDerWaalsContact C-N 3.34Å; F670-A672 PolarHBondContact O-N 3.01Å; A672-L676 WeakPolarHBondContact O-CG 3.44Å; A672-L676 PolarHBondContact O-N 3.29Å; A672-L676 VanDerWaalsContact O-N 3.12Å; A672-L696 HydrophobicContact CB-CD1 4.28Å |
| 673 | K | 94.9 | Very high | 92 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -46 | 175.7 | -170.6 | -161.8 | 169.7 | -175.6 | 0 | 111 | L669 F670 E671 A675 L676 D677 L696 | L669-K673 PolarHBondContact O-N 2.91Å; F670-K673 WeakPolarHBondContact O-CA 3.49Å; F670-K673 VanDerWaalsContact O-CB 3.29Å; F670-K673 WeakPolarHBondContact O-CB 3.21Å; F670-K673 PolarHBondContact O-N 3.45Å; F670-K673 VanDerWaalsContact O-N 3.08Å; E671-K673 VanDerWaalsContact C-N 3.3Å; E671-K673 PolarHBondContact O-N 3.35Å; K673-A675 VanDerWaalsContact C-N 3.33Å; K673-A675 PolarHBondContact O-N 3.16Å; K673-L676 PolarHBondContact O-N 2.91Å; K673-D677 WeakPolarHBondContact CE-OD2 3.35Å; K673-D677 WeakPolarHBondContact O-CB 3.37Å; K673-D677 VanDerWaalsContact O-CG 3.26Å; K673-D677 PolarHBondContact O-N 3.08Å; K673-L696 HydrophobicContact CB-CD2 3.85Å; K673-L696 HydrophobicContact CG-CD2 4.14Å |
| 674 | E | 95.3 | Very high | 91.1 | Very high | 103 Ų | 103 | 56 Ų | 56 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 178.7 | -68.8 | -167.9 | 146.8 | 0 | 0 | 111.8 | F670 E671 L676 D677 E678 | F670-E674 HydrophobicContact CD1-CG 4.35Å; F670-E674 VanDerWaalsContact CE1-CD 3.41Å; F670-E674 HydrophobicContact CE1-CG 3.98Å; F670-E674 WeakPolarHBondContact CE1-OE1 3.36Å; F670-E674 HydrophobicContact CZ-CG 4.32Å; F670-E674 WeakPolarHBondContact CZ-OE1 2.84Å; F670-E674 PolarHBondContact O-N 2.83Å; E671-E674 PolarHBondContact O-N 2.88Å; E674-L676 PolarHBondContact O-N 3.19Å; E674-D677 PolarHBondContact O-N 3.32Å; E674-E678 WeakPolarHBondContact O-CG 3.32Å; E674-E678 PolarHBondContact O-N 3.24Å |
| 675 | A | 93.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L659 A660 Y663 E671 K673 E678 V679 | L659-A675 HydrophobicContact CB-CB 4.42Å; A660-A675 HydrophobicContact CB-CB 3.94Å; Y663-A675 HydrophobicContact CD2-CB 4.42Å; E671-A675 PolarHBondContact O-N 2.92Å; K673-A675 VanDerWaalsContact C-N 3.33Å; K673-A675 PolarHBondContact O-N 3.16Å; A675-E678 PolarHBondContact O-N 3.38Å; A675-V679 PolarHBondContact O-N 3.35Å; A675-V679 VanDerWaalsContact O-N 3.14Å |
| 676 | L | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 175.3 | -68.6 | 169.4 | 0 | 0 | 0 | 112.5 | A660 A672 K673 E674 E678 V679 M680 T689 L692 R693 L696 | A660-L676 HydrophobicContact CB-CD1 4.43Å; A660-L676 HydrophobicContact CB-CD2 3.88Å; A660-L676 HydrophobicContact CB-CG 3.76Å; A672-L676 WeakPolarHBondContact O-CG 3.44Å; A672-L676 PolarHBondContact O-N 3.29Å; A672-L676 VanDerWaalsContact O-N 3.12Å; K673-L676 PolarHBondContact O-N 2.91Å; E674-L676 PolarHBondContact O-N 3.19Å; L676-E678 VanDerWaalsContact C-N 3.3Å; L676-E678 PolarHBondContact O-N 3.09Å; L676-V679 WeakPolarHBondContact O-CB 3.47Å; L676-V679 PolarHBondContact O-N 3.34Å; L676-M680 WeakPolarHBondContact O-CG 3.34Å; L676-M680 PolarHBondContact O-N 2.98Å; L676-T689 HydrophobicContact CD2-CG2 4.16Å; L676-L692 HydrophobicContact CD1-CB 4.29Å; L676-L692 HydrophobicContact CD2-CB 3.79Å; L676-L692 HydrophobicContact CD2-CD1 4.21Å; L676-R693 HydrophobicContact CD1-CG 3.91Å; L676-L696 HydrophobicContact CD1-CB 4.47Å; L676-L696 HydrophobicContact CD1-CD2 4.01Å |
| 677 | D | 93.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 174.9 | -71.7 | -21.2 | 0 | 0 | 0 | 111 | K673 E674 M680 K681 | K673-D677 WeakPolarHBondContact CE-OD2 3.35Å; K673-D677 WeakPolarHBondContact O-CB 3.37Å; K673-D677 VanDerWaalsContact O-CG 3.26Å; K673-D677 PolarHBondContact O-N 3.08Å; E674-D677 PolarHBondContact O-N 3.32Å; D677-M680 PolarHBondContact O-N 3.4Å; D677-K681 VanDerWaalsContact O-CG 3.3Å; D677-K681 WeakPolarHBondContact O-CG 3.11Å; D677-K681 PolarHBondContact O-N 2.91Å |
| 678 | E | 92.4 | Very high | 90.1 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 170.4 | -71.1 | -55.8 | 133.1 | 0 | 0 | 112.6 | Y656 E674 A675 L676 M680 K681 I682 | Y656-E678 HydrophobicContact CD1-CB 4.31Å; Y656-E678 HydrophobicContact CD2-CB 4.21Å; Y656-E678 HydrophobicContact CE1-CB 4.26Å; Y656-E678 HydrophobicContact CE1-CG 4.45Å; Y656-E678 HydrophobicContact CE2-CB 4.1Å; Y656-E678 HydrophobicContact CG-CB 4.3Å; E674-E678 WeakPolarHBondContact O-CG 3.32Å; E674-E678 PolarHBondContact O-N 3.24Å; A675-E678 PolarHBondContact O-N 3.38Å; L676-E678 VanDerWaalsContact C-N 3.3Å; L676-E678 PolarHBondContact O-N 3.09Å; E678-M680 VanDerWaalsContact C-N 3.3Å; E678-M680 PolarHBondContact O-N 2.97Å; E678-K681 PolarHBondContact O-N 3.27Å; E678-K681 IonicContact OE1-NZ 3.83Å; E678-K681 PolarHBondContact OE1-NZ 3.28Å; E678-I682 WeakPolarHBondContact O-CG1 3.38Å; E678-I682 PolarHBondContact O-N 3.33Å |
| 679 | V | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 172.8 | 175.8 | 0 | 0 | 0 | 0 | 111 | I653 Y656 Q657 A675 L676 K681 I682 G683 G684 T689 | I653-V679 HydrophobicContact CG1-CG1 4.46Å; I653-V679 HydrophobicContact CG2-CG1 3.87Å; Y656-V679 HydrophobicContact CG-CG2 4.44Å; Q657-V679 HydrophobicContact CG-CG2 4.28Å; A675-V679 PolarHBondContact O-N 3.35Å; A675-V679 VanDerWaalsContact O-N 3.14Å; L676-V679 WeakPolarHBondContact O-CB 3.47Å; L676-V679 PolarHBondContact O-N 3.34Å; V679-K681 PolarHBondContact O-N 3.18Å; V679-I682 PolarHBondContact O-N 2.89Å; V679-G683 PolarHBondContact O-N 2.89Å; V679-G684 WeakPolarHBondContact CG1-O 3.47Å; V679-G684 PolarHBondContact O-N 3.25Å; V679-T689 HydrophobicContact CB-CG2 4.46Å; V679-T689 HydrophobicContact CG1-CG2 3.9Å; V679-T689 WeakPolarHBondContact CG1-OG1 3.47Å |
| 680 | M | 88.9 | Confident | 90 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 177.8 | -69.8 | -61.6 | -57 | 0 | 0 | 112.6 | L676 D677 E678 I682 G683 L685 | L676-M680 WeakPolarHBondContact O-CG 3.34Å; L676-M680 PolarHBondContact O-N 2.98Å; D677-M680 PolarHBondContact O-N 3.4Å; E678-M680 VanDerWaalsContact C-N 3.3Å; E678-M680 PolarHBondContact O-N 2.97Å; M680-I682 PolarHBondContact O-N 2.87Å; M680-G683 PolarHBondContact O-N 3.46Å; M680-L685 HydrophobicContact CE-CD1 4.07Å; M680-L685 HydrophobicContact SD-CD1 3.7Å |
| 681 | K | 89 | Confident | 90 | Very high | 134 Ų | 134 | 45.9 Ų | 45.9 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -29.7 | 175.2 | -72.9 | 169.2 | -165.3 | 170.3 | 0 | 112.7 | D677 E678 V679 G683 | D677-K681 VanDerWaalsContact O-CG 3.3Å; D677-K681 WeakPolarHBondContact O-CG 3.11Å; D677-K681 PolarHBondContact O-N 2.91Å; E678-K681 PolarHBondContact O-N 3.27Å; E678-K681 IonicContact OE1-NZ 3.83Å; E678-K681 PolarHBondContact OE1-NZ 3.28Å; V679-K681 PolarHBondContact O-N 3.18Å; K681-G683 VanDerWaalsContact C-N 3.31Å |
| 682 | I | 85.9 | Confident | 90.1 | Very high | 42 Ų | 42 | 43 Ų | 43 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78 | -20.3 | 174.9 | -62.5 | 163.9 | 0 | 0 | 0 | 111.3 | L649 Q652 I653 Y656 E678 V679 M680 | L649-I682 HydrophobicContact CB-CG2 4.26Å; L649-I682 HydrophobicContact CD2-CG2 3.91Å; Q652-I682 HydrophobicContact CB-CD1 4.37Å; Q652-I682 HydrophobicContact CG-CD1 3.82Å; I653-I682 HydrophobicContact CD1-CG2 3.92Å; I653-I682 HydrophobicContact CG1-CB 4.29Å; I653-I682 HydrophobicContact CG1-CG2 3.8Å; Y656-I682 HydrophobicContact CD2-CD1 3.94Å; Y656-I682 HydrophobicContact CE2-CD1 3.91Å; E678-I682 WeakPolarHBondContact O-CG1 3.38Å; E678-I682 PolarHBondContact O-N 3.33Å; V679-I682 PolarHBondContact O-N 2.89Å; M680-I682 PolarHBondContact O-N 2.87Å |
| 683 | G | 81.6 | Confident | 90.1 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 16.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V679 M680 K681 L685 | V679-G683 PolarHBondContact O-N 2.89Å; M680-G683 PolarHBondContact O-N 3.46Å; K681-G683 VanDerWaalsContact C-N 3.31Å; G683-L685 PolarHBondContact O-N 3.32Å; G683-L685 VanDerWaalsContact O-N 3.1Å |
| 684 | G | 76.6 | Confident | 90.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | trans | -82.2 | 73.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V679 D686 T689 | V679-G684 WeakPolarHBondContact CG1-O 3.47Å; V679-G684 PolarHBondContact O-N 3.25Å; G684-D686 PolarHBondContact O-N 2.93Å; G684-T689 PolarHBondContact O-OG1 3.42Å | ||
| 685 | L | 80.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 40.1 Ų | 40.1 | 55% | 0.55 | 21% | 0.209 | S | C | . | . | trans | -93.9 | 70.9 | 171.5 | -168.1 | 72.3 | 0 | 0 | 0 | 110.6 | M680 G683 L690 | M680-L685 HydrophobicContact CE-CD1 4.07Å; M680-L685 HydrophobicContact SD-CD1 3.7Å; G683-L685 PolarHBondContact O-N 3.32Å; G683-L685 VanDerWaalsContact O-N 3.1Å; L685-L690 HydrophobicContact CD1-CD2 3.77Å; L685-L690 HydrophobicContact CD1-CG 4.16Å; L685-L690 HydrophobicContact CG-CD2 4.45Å | ||
| 686 | D | 85.2 | Confident | 90.2 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | trans | -101.1 | 172.9 | 176.7 | 66.7 | -4.6 | 0 | 0 | 0 | 112.5 | Q657 G684 Q688 T689 L690 | Q657-D686 PolarHBondContact NE2-OD1 3.32Å; Q657-D686 PolarHBondContact NE2-OD2 2.66Å; G684-D686 PolarHBondContact O-N 2.93Å; D686-Q688 VanDerWaalsContact C-N 3.26Å; D686-Q688 PolarHBondContact O-N 3Å; D686-T689 PolarHBondContact O-N 2.89Å; D686-T689 VanDerWaalsContact O-N 3.14Å; D686-T689 WeakPolarHBondContact OD1-CB 3.38Å; D686-T689 PolarHBondContact OD1-N 3Å; D686-T689 PolarHBondContact OD1-OG1 2.88Å; D686-L690 PolarHBondContact O-N 3.22Å; D686-L690 VanDerWaalsContact O-N 3.07Å | ||
| 687 | N | 88 | Confident | 90.2 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | -176.4 | -55.5 | -20.4 | 0 | 0 | 0 | 112 | Y691 V713 L716 K717 | N687-Y691 WeakPolarHBondContact O-CB 3.48Å; N687-Y691 PolarHBondContact O-N 3.09Å; N687-V713 WeakPolarHBondContact O-CG2 3.39Å; N687-L716 VanDerWaalsContact OD1-CB 3.3Å; N687-L716 WeakPolarHBondContact OD1-CB 3.49Å; N687-L716 WeakPolarHBondContact OD1-CD1 3.3Å; N687-K717 WeakPolarHBondContact ND2-CB 3.12Å |
| 688 | Q | 91.2 | Very high | 90.3 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 178.5 | -171.5 | 65.6 | 14 | 0 | 0 | 112 | D686 Y691 L692 H720 | D686-Q688 VanDerWaalsContact C-N 3.26Å; D686-Q688 PolarHBondContact O-N 3Å; Q688-Y691 WeakPolarHBondContact O-CB 3.24Å; Q688-Y691 PolarHBondContact O-N 2.86Å; Q688-L692 HydrophobicContact CG-CD1 4.27Å; Q688-L692 WeakPolarHBondContact O-CG 3.22Å; Q688-L692 PolarHBondContact O-N 3.43Å; Q688-H720 PolarHBondContact OE1-NE2 3Å |
| 689 | T | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | Q657 L676 V679 G684 D686 Y691 L692 R693 | Q657-T689 PolarHBondContact NE2-OG1 3.12Å; L676-T689 HydrophobicContact CD2-CG2 4.16Å; V679-T689 HydrophobicContact CB-CG2 4.46Å; V679-T689 HydrophobicContact CG1-CG2 3.9Å; V679-T689 WeakPolarHBondContact CG1-OG1 3.47Å; G684-T689 PolarHBondContact O-OG1 3.42Å; D686-T689 PolarHBondContact O-N 2.89Å; D686-T689 VanDerWaalsContact O-N 3.14Å; D686-T689 WeakPolarHBondContact OD1-CB 3.38Å; D686-T689 PolarHBondContact OD1-N 3Å; D686-T689 PolarHBondContact OD1-OG1 2.88Å; T689-Y691 VanDerWaalsContact C-N 3.34Å; T689-L692 PolarHBondContact O-N 3.18Å; T689-R693 WeakPolarHBondContact O-CG 3.45Å; T689-R693 PolarHBondContact O-N 3.47Å |
| 690 | L | 93 | Very high | 90.4 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.8 | -73.1 | 173.6 | 0 | 0 | 0 | 111.6 | L685 D686 R693 G694 L709 V713 L716 | L685-L690 HydrophobicContact CD1-CD2 3.77Å; L685-L690 HydrophobicContact CD1-CG 4.16Å; L685-L690 HydrophobicContact CG-CD2 4.45Å; D686-L690 PolarHBondContact O-N 3.22Å; D686-L690 VanDerWaalsContact O-N 3.07Å; L690-R693 PolarHBondContact O-N 3.06Å; L690-G694 PolarHBondContact O-N 3.32Å; L690-L709 HydrophobicContact CD2-CD2 4.03Å; L690-V713 HydrophobicContact CB-CG2 3.49Å; L690-V713 VanDerWaalsContact CB-CG2 3.49Å; L690-L716 HydrophobicContact CD1-CD1 3.53Å |
| 691 | Y | 95.7 | Very high | 90.6 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.7 | 172.5 | -112 | 0 | 0 | 0 | 112.3 | N687 Q688 T689 R693 G694 R695 Y710 H720 Q722 A723 S726 | N687-Y691 WeakPolarHBondContact O-CB 3.48Å; N687-Y691 PolarHBondContact O-N 3.09Å; Q688-Y691 WeakPolarHBondContact O-CB 3.24Å; Q688-Y691 PolarHBondContact O-N 2.86Å; T689-Y691 VanDerWaalsContact C-N 3.34Å; Y691-R693 VanDerWaalsContact C-N 3.3Å; Y691-R693 PolarHBondContact O-N 2.9Å; Y691-G694 WeakPolarHBondContact O-CA 3.49Å; Y691-G694 PolarHBondContact O-N 2.97Å; Y691-R695 HydrophobicContact CE1-CG 4.15Å; Y691-R695 HydrophobicContact CE2-CG 4.07Å; Y691-R695 VanDerWaalsContact CZ-CD 3.5Å; Y691-R695 PolarHBondContact O-N 2.86Å; Y691-R695 WeakPolarHBondContact OH-CD 3.38Å; Y691-Y710 HydrophobicContact CD2-CD1 4.03Å; Y691-Y710 AromaticContact CD2-CE1 3.84Å; Y691-Y710 HydrophobicContact CD2-CE1 3.84Å; Y691-Y710 HydrophobicContact CE2-CD1 4.39Å; Y691-Y710 AromaticContact CE2-CE1 3.92Å; Y691-Y710 HydrophobicContact CE2-CE1 3.92Å; Y691-H720 AromaticContact CG-CE1 3.89Å; Y691-Q722 HydrophobicContact CE1-CB 4Å; Y691-Q722 VanDerWaalsContact CE1-OE1 3.3Å; Y691-Q722 HydrophobicContact CE2-CB 4.06Å; Y691-Q722 WeakPolarHBondContact CE2-O 3.29Å; Y691-A723 HydrophobicContact CD2-CB 3.93Å; Y691-A723 HydrophobicContact CE2-CB 4.39Å; Y691-S726 WeakPolarHBondContact CE2-OG 3.41Å; Y691-S726 PolarHBondContact OH-OG 3.47Å |
| 692 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -33.7 | 178.9 | -69 | 172.8 | 0 | 0 | 0 | 112.4 | Q657 A660 E661 L664 L676 Q688 T689 R695 L696 | Q657-L692 HydrophobicContact CB-CD1 3.88Å; Q657-L692 HydrophobicContact CG-CD1 4.24Å; Q657-L692 WeakPolarHBondContact O-CD1 3.39Å; A660-L692 HydrophobicContact CB-CD1 4.37Å; E661-L692 HydrophobicContact CB-CD2 3.94Å; E661-L692 HydrophobicContact CG-CD2 4.28Å; L664-L692 HydrophobicContact CD1-CD2 4.29Å; L676-L692 HydrophobicContact CD1-CB 4.29Å; L676-L692 HydrophobicContact CD2-CB 3.79Å; L676-L692 HydrophobicContact CD2-CD1 4.21Å; Q688-L692 HydrophobicContact CG-CD1 4.27Å; Q688-L692 WeakPolarHBondContact O-CG 3.22Å; Q688-L692 PolarHBondContact O-N 3.43Å; T689-L692 PolarHBondContact O-N 3.18Å; L692-R695 PolarHBondContact O-N 3.15Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 PolarHBondContact O-N 3.47Å |
| 693 | R | 94.5 | Very high | 91.1 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 170.9 | -72.5 | 179.4 | 71.4 | 116.8 | 3.5 | 112.1 | L676 T689 L690 Y691 L696 A697 L709 | L676-R693 HydrophobicContact CD1-CG 3.91Å; T689-R693 WeakPolarHBondContact O-CG 3.45Å; T689-R693 PolarHBondContact O-N 3.47Å; L690-R693 PolarHBondContact O-N 3.06Å; Y691-R693 VanDerWaalsContact C-N 3.3Å; Y691-R693 PolarHBondContact O-N 2.9Å; R693-L696 PolarHBondContact O-N 3.11Å; R693-A697 WeakPolarHBondContact O-CB 3.45Å; R693-A697 PolarHBondContact O-N 3.45Å; R693-L709 HydrophobicContact CB-CD1 3.89Å |
| 694 | G | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L690 Y691 L696 A697 E698 A706 | L690-G694 PolarHBondContact O-N 3.32Å; Y691-G694 WeakPolarHBondContact O-CA 3.49Å; Y691-G694 PolarHBondContact O-N 2.97Å; G694-L696 PolarHBondContact O-N 3.44Å; G694-A697 PolarHBondContact O-N 2.92Å; G694-E698 PolarHBondContact O-N 3.3Å; G694-A706 WeakPolarHBondContact O-CB 3.39Å |
| 695 | R | 95.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 14% | 0.143 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.8 | -72 | -173.8 | 64.3 | -167.4 | -4.8 | 112.3 | E661 L664 D665 Y691 L692 A697 E698 E699 Y710 | E661-R695 IonicContact OE1-NH1 3.63Å; L664-R695 HydrophobicContact CD1-CB 3.94Å; D665-R695 IonicContact OD1-CZ 3.21Å; D665-R695 IonicContact OD1-NH1 2.65Å; D665-R695 IonicContact OD1-NH2 2.8Å; D665-R695 PolarHBondContact OD1-NH2 3.27Å; Y691-R695 HydrophobicContact CE1-CG 4.15Å; Y691-R695 HydrophobicContact CE2-CG 4.07Å; Y691-R695 VanDerWaalsContact CZ-CD 3.5Å; Y691-R695 PolarHBondContact O-N 2.86Å; Y691-R695 WeakPolarHBondContact OH-CD 3.38Å; L692-R695 PolarHBondContact O-N 3.15Å; R695-A697 VanDerWaalsContact C-N 3.27Å; R695-A697 PolarHBondContact O-N 3.1Å; R695-E698 WeakPolarHBondContact O-CB 3.27Å; R695-E698 PolarHBondContact O-N 3.38Å; R695-E698 VanDerWaalsContact O-N 3.17Å; R695-E699 WeakPolarHBondContact O-CG 3.34Å; R695-E699 PolarHBondContact O-N 3.47Å; R695-Y710 VanDerWaalsContact CA-OH 3.27Å; R695-Y710 WeakPolarHBondContact CA-OH 3.47Å; R695-Y710 HydrophobicContact CG-CE1 4.39Å; R695-Y710 PolarHBondContact N-OH 2.89Å |
| 696 | L | 95.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 177.1 | 179.4 | 65.1 | 0 | 0 | 0 | 112.3 | L664 L669 A672 K673 L676 L692 R693 G694 R700 | L664-L696 HydrophobicContact CD2-CB 4.02Å; L664-L696 HydrophobicContact CD2-CD1 3.7Å; L664-L696 HydrophobicContact CD2-CG 4.47Å; L669-L696 HydrophobicContact CB-CD1 4.15Å; L669-L696 HydrophobicContact CD2-CD1 4.14Å; L669-L696 WeakPolarHBondContact O-CD1 3.49Å; A672-L696 HydrophobicContact CB-CD1 4.28Å; K673-L696 HydrophobicContact CB-CD2 3.85Å; K673-L696 HydrophobicContact CG-CD2 4.14Å; L676-L696 HydrophobicContact CD1-CB 4.47Å; L676-L696 HydrophobicContact CD1-CD2 4.01Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 PolarHBondContact O-N 3.47Å; R693-L696 PolarHBondContact O-N 3.11Å; G694-L696 PolarHBondContact O-N 3.44Å; L696-R700 VanDerWaalsContact O-CG 3.29Å; L696-R700 WeakPolarHBondContact O-CG 3.19Å; L696-R700 PolarHBondContact O-N 3.3Å |
| 697 | A | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | R693 G694 R695 R700 G701 L702 I705 A706 | R693-A697 WeakPolarHBondContact O-CB 3.45Å; R693-A697 PolarHBondContact O-N 3.45Å; G694-A697 PolarHBondContact O-N 2.92Å; R695-A697 VanDerWaalsContact C-N 3.27Å; R695-A697 PolarHBondContact O-N 3.1Å; A697-R700 PolarHBondContact O-N 2.86Å; A697-G701 PolarHBondContact O-N 3.36Å; A697-L702 HydrophobicContact CB-CB 4.27Å; A697-L702 WeakPolarHBondContact O-CB 3.5Å; A697-L702 PolarHBondContact O-N 2.7Å; A697-I705 HydrophobicContact CB-CB 4.16Å; A697-I705 HydrophobicContact CB-CG2 4.02Å; A697-A706 HydrophobicContact CB-CB 4.05Å |
| 698 | E | 94.8 | Very high | 94 | Very high | 38 Ų | 38 | 48 Ų | 48 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.4 | -173.2 | 177.6 | 174.3 | 0 | 0 | 111.1 | G694 R695 R700 G701 A706 Y710 L730 K733 | G694-E698 PolarHBondContact O-N 3.3Å; R695-E698 WeakPolarHBondContact O-CB 3.27Å; R695-E698 PolarHBondContact O-N 3.38Å; R695-E698 VanDerWaalsContact O-N 3.17Å; E698-R700 PolarHBondContact O-N 3.11Å; E698-G701 PolarHBondContact O-N 3.47Å; E698-A706 HydrophobicContact CB-CB 3.92Å; E698-Y710 PolarHBondContact OE2-OH 2.98Å; E698-L730 HydrophobicContact CG-CD1 4.27Å; E698-K733 IonicContact OE1-NZ 2.66Å; E698-K733 PolarHBondContact OE1-NZ 3.23Å |
| 699 | E | 92.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -23.3 | 177.3 | -68.3 | -58.5 | 153.2 | 0 | 0 | 113.2 | L669 R695 G701 | L669-E699 HydrophobicContact CD1-CB 4.36Å; L669-E699 HydrophobicContact CD2-CB 3.69Å; L669-E699 HydrophobicContact CD2-CG 4.28Å; R695-E699 WeakPolarHBondContact O-CG 3.34Å; R695-E699 PolarHBondContact O-N 3.47Å; E699-G701 VanDerWaalsContact C-N 3.33Å |
| 700 | R | 93.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 39% | 0.392 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.5 | 173.5 | -72.4 | 177.8 | 178.1 | 176.5 | 3.8 | 113.7 | L669 L696 A697 E698 L702 | L669-R700 HydrophobicContact CD1-CG 4.19Å; L669-R700 PolarHBondContact O-NH2 3.35Å; L696-R700 VanDerWaalsContact O-CG 3.29Å; L696-R700 WeakPolarHBondContact O-CG 3.19Å; L696-R700 PolarHBondContact O-N 3.3Å; A697-R700 PolarHBondContact O-N 2.86Å; E698-R700 PolarHBondContact O-N 3.11Å; R700-L702 VanDerWaalsContact C-N 3.26Å; R700-L702 HydrophobicContact CB-CD1 4.17Å; R700-L702 HydrophobicContact CB-CG 4.17Å; R700-L702 PolarHBondContact O-N 3.07Å |
| 701 | G | 91.2 | Very high | 94.5 | Very high | 53 Ų | 53 | 50 Ų | 50 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 13.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A697 E698 E699 V703 | A697-G701 PolarHBondContact O-N 3.36Å; E698-G701 PolarHBondContact O-N 3.47Å; E699-G701 VanDerWaalsContact C-N 3.33Å; G701-V703 PolarHBondContact O-N 3.3Å |
| 702 | L | 94 | Very high | 94.4 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | trans | -85.8 | 65.6 | 178.8 | -60.7 | 172 | 0 | 0 | 0 | 110.2 | A697 R700 W704 I705 A706 | A697-L702 HydrophobicContact CB-CB 4.27Å; A697-L702 WeakPolarHBondContact O-CB 3.5Å; A697-L702 PolarHBondContact O-N 2.7Å; R700-L702 VanDerWaalsContact C-N 3.26Å; R700-L702 HydrophobicContact CB-CD1 4.17Å; R700-L702 HydrophobicContact CB-CG 4.17Å; R700-L702 PolarHBondContact O-N 3.07Å; L702-W704 VanDerWaalsContact C-N 3.33Å; L702-W704 PolarHBondContact O-N 3.43Å; L702-I705 HydrophobicContact CB-CB 4.24Å; L702-I705 HydrophobicContact CB-CD1 4.12Å; L702-I705 HydrophobicContact CB-CG1 4.26Å; L702-I705 HydrophobicContact CD1-CD1 4.07Å; L702-I705 PolarHBondContact O-N 3.32Å; L702-I705 VanDerWaalsContact O-N 3.08Å; L702-A706 PolarHBondContact O-N 3.41Å | ||
| 703 | V | 92.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.9 | -43.8 | -170 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | G701 I705 A706 R707 L730 N734 | G701-V703 PolarHBondContact O-N 3.3Å; V703-I705 PolarHBondContact O-N 2.94Å; V703-A706 PolarHBondContact O-N 3.32Å; V703-R707 WeakPolarHBondContact O-CB 3.27Å; V703-R707 PolarHBondContact O-N 3.46Å; V703-L730 HydrophobicContact CG1-CD1 4.45Å; V703-L730 HydrophobicContact CG1-CD2 3.94Å; V703-L730 HydrophobicContact CG1-CG 4.29Å; V703-N734 WeakPolarHBondContact CG1-ND2 3.42Å |
| 704 | W | 92.2 | Very high | 94.4 | Very high | 187 Ų | 187 | 48.8 Ų | 48.8 | 71% | 0.708 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.2 | -34.6 | -178.4 | 72.3 | -93.1 | 0 | 0 | 0 | 112.7 | L702 S708 | L702-W704 VanDerWaalsContact C-N 3.33Å; L702-W704 PolarHBondContact O-N 3.43Å; W704-S708 PolarHBondContact O-N 3.41Å; W704-S708 VanDerWaalsContact O-N 3.17Å; W704-S708 PolarHBondContact O-OG 3.28Å |
| 705 | I | 94.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73 | -43.6 | 176.9 | -55.9 | -176.2 | 0 | 0 | 0 | 109.9 | A697 L702 V703 R707 S708 L709 | A697-I705 HydrophobicContact CB-CB 4.16Å; A697-I705 HydrophobicContact CB-CG2 4.02Å; L702-I705 HydrophobicContact CB-CB 4.24Å; L702-I705 HydrophobicContact CB-CD1 4.12Å; L702-I705 HydrophobicContact CB-CG1 4.26Å; L702-I705 HydrophobicContact CD1-CD1 4.07Å; L702-I705 PolarHBondContact O-N 3.32Å; L702-I705 VanDerWaalsContact O-N 3.08Å; V703-I705 PolarHBondContact O-N 2.94Å; I705-R707 VanDerWaalsContact C-N 3.32Å; I705-R707 PolarHBondContact O-N 2.93Å; I705-S708 PolarHBondContact O-N 2.95Å; I705-S708 PolarHBondContact O-OG 3.28Å; I705-L709 HydrophobicContact CG2-CD1 3.81Å; I705-L709 HydrophobicContact CG2-CG 4.32Å; I705-L709 WeakPolarHBondContact O-CB 3.06Å; I705-L709 VanDerWaalsContact O-CG 3.29Å; I705-L709 WeakPolarHBondContact O-CG 3.44Å; I705-L709 PolarHBondContact O-N 3.24Å |
| 706 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | G694 A697 E698 L702 V703 L709 Y710 L730 | G694-A706 WeakPolarHBondContact O-CB 3.39Å; A697-A706 HydrophobicContact CB-CB 4.05Å; E698-A706 HydrophobicContact CB-CB 3.92Å; L702-A706 PolarHBondContact O-N 3.41Å; V703-A706 PolarHBondContact O-N 3.32Å; A706-L709 PolarHBondContact O-N 3.02Å; A706-Y710 HydrophobicContact CB-CE2 4.23Å; A706-Y710 WeakPolarHBondContact O-CD2 3.43Å; A706-Y710 VanDerWaalsContact O-CG 3.26Å; A706-Y710 PolarHBondContact O-N 2.92Å; A706-L730 HydrophobicContact CB-CD1 3.64Å |
| 707 | R | 95.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 28% | 0.279 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.4 | -52.9 | 175.2 | 178.1 | 178.2 | 173.9 | 153.1 | 5 | 112.2 | V703 I705 L709 Y710 E711 L727 L730 | V703-R707 WeakPolarHBondContact O-CB 3.27Å; V703-R707 PolarHBondContact O-N 3.46Å; I705-R707 VanDerWaalsContact C-N 3.32Å; I705-R707 PolarHBondContact O-N 2.93Å; R707-L709 VanDerWaalsContact C-N 3.27Å; R707-L709 PolarHBondContact O-N 3.47Å; R707-Y710 PolarHBondContact O-N 3.43Å; R707-E711 HydrophobicContact CG-CG 4.38Å; R707-E711 IonicContact CZ-OE1 3.87Å; R707-E711 IonicContact NE-OE1 2.65Å; R707-E711 PolarHBondContact NE-OE1 3.49Å; R707-E711 IonicContact NH2-OE1 3.88Å; R707-E711 PolarHBondContact NH2-OE1 2.97Å; R707-E711 WeakPolarHBondContact O-CB 3.41Å; R707-E711 WeakPolarHBondContact O-CG 3.33Å; R707-E711 PolarHBondContact O-N 3.04Å; R707-L727 HydrophobicContact CG-CD1 4.08Å; R707-L730 HydrophobicContact CB-CD2 4.07Å |
| 708 | S | 95.7 | Very high | 93.5 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -177 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | W704 I705 S712 | W704-S708 PolarHBondContact O-N 3.41Å; W704-S708 VanDerWaalsContact O-N 3.17Å; W704-S708 PolarHBondContact O-OG 3.28Å; I705-S708 PolarHBondContact O-N 2.95Å; I705-S708 PolarHBondContact O-OG 3.28Å; S708-S712 WeakPolarHBondContact O-CB 3.38Å; S708-S712 PolarHBondContact O-N 3.09Å; S708-S712 PolarHBondContact O-OG 3.2Å |
| 709 | L | 94.8 | Very high | 93 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 174.3 | -71 | 172.5 | 0 | 0 | 0 | 112.4 | L690 R693 I705 A706 R707 S712 V713 | L690-L709 HydrophobicContact CD2-CD2 4.03Å; R693-L709 HydrophobicContact CB-CD1 3.89Å; I705-L709 HydrophobicContact CG2-CD1 3.81Å; I705-L709 HydrophobicContact CG2-CG 4.32Å; I705-L709 WeakPolarHBondContact O-CB 3.06Å; I705-L709 VanDerWaalsContact O-CG 3.29Å; I705-L709 WeakPolarHBondContact O-CG 3.44Å; I705-L709 PolarHBondContact O-N 3.24Å; A706-L709 PolarHBondContact O-N 3.02Å; R707-L709 VanDerWaalsContact C-N 3.27Å; R707-L709 PolarHBondContact O-N 3.47Å; L709-S712 PolarHBondContact O-N 3Å; L709-S712 PolarHBondContact O-OG 2.97Å; L709-V713 VanDerWaalsContact O-CG2 3.28Å; L709-V713 WeakPolarHBondContact O-CG2 3.34Å; L709-V713 PolarHBondContact O-N 3.21Å |
| 710 | Y | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 174.7 | -62.1 | -36.4 | 0 | 0 | 0 | 111.8 | Y691 R695 E698 A706 R707 S712 V713 I714 S726 L727 L730 | Y691-Y710 HydrophobicContact CD2-CD1 4.03Å; Y691-Y710 AromaticContact CD2-CE1 3.84Å; Y691-Y710 HydrophobicContact CD2-CE1 3.84Å; Y691-Y710 HydrophobicContact CE2-CD1 4.39Å; Y691-Y710 AromaticContact CE2-CE1 3.92Å; Y691-Y710 HydrophobicContact CE2-CE1 3.92Å; R695-Y710 VanDerWaalsContact CA-OH 3.27Å; R695-Y710 WeakPolarHBondContact CA-OH 3.47Å; R695-Y710 HydrophobicContact CG-CE1 4.39Å; R695-Y710 PolarHBondContact N-OH 2.89Å; E698-Y710 PolarHBondContact OE2-OH 2.98Å; A706-Y710 HydrophobicContact CB-CE2 4.23Å; A706-Y710 WeakPolarHBondContact O-CD2 3.43Å; A706-Y710 VanDerWaalsContact O-CG 3.26Å; A706-Y710 PolarHBondContact O-N 2.92Å; R707-Y710 PolarHBondContact O-N 3.43Å; Y710-S712 VanDerWaalsContact C-N 3.29Å; Y710-S712 PolarHBondContact O-N 3.15Å; Y710-V713 PolarHBondContact O-N 2.88Å; Y710-I714 WeakPolarHBondContact O-CD1 3.29Å; Y710-I714 VanDerWaalsContact O-CG1 3.31Å; Y710-I714 WeakPolarHBondContact O-CG1 2.94Å; Y710-I714 PolarHBondContact O-N 3.35Å; Y710-S726 VanDerWaalsContact CZ-CB 3.47Å; Y710-L727 HydrophobicContact CD2-CB 4.35Å; Y710-L730 HydrophobicContact CD2-CD1 4.4Å; Y710-L730 HydrophobicContact CE2-CD1 4.05Å |
| 711 | E | 95.3 | Very high | 92.8 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 174 | -73.4 | 172.7 | 172.3 | 0 | 0 | 111.4 | R707 I714 A715 L727 | R707-E711 HydrophobicContact CG-CG 4.38Å; R707-E711 IonicContact CZ-OE1 3.87Å; R707-E711 IonicContact NE-OE1 2.65Å; R707-E711 PolarHBondContact NE-OE1 3.49Å; R707-E711 IonicContact NH2-OE1 3.88Å; R707-E711 PolarHBondContact NH2-OE1 2.97Å; R707-E711 WeakPolarHBondContact O-CB 3.41Å; R707-E711 WeakPolarHBondContact O-CG 3.33Å; R707-E711 PolarHBondContact O-N 3.04Å; E711-I714 PolarHBondContact O-N 2.84Å; E711-A715 WeakPolarHBondContact O-CB 3.23Å; E711-A715 PolarHBondContact O-N 3.09Å; E711-L727 HydrophobicContact CG-CD1 4.45Å; E711-L727 HydrophobicContact CG-CD2 4.12Å |
| 712 | S | 94.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.8 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | S708 L709 Y710 A715 L716 | S708-S712 WeakPolarHBondContact O-CB 3.38Å; S708-S712 PolarHBondContact O-N 3.09Å; S708-S712 PolarHBondContact O-OG 3.2Å; L709-S712 PolarHBondContact O-N 3Å; L709-S712 PolarHBondContact O-OG 2.97Å; Y710-S712 VanDerWaalsContact C-N 3.29Å; Y710-S712 PolarHBondContact O-N 3.15Å; S712-A715 PolarHBondContact O-N 3.46Å; S712-L716 WeakPolarHBondContact O-CG 3.45Å; S712-L716 PolarHBondContact O-N 3.33Å |
| 713 | V | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 173 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | N687 L690 L709 Y710 A715 L716 K717 H720 A723 | N687-V713 WeakPolarHBondContact O-CG2 3.39Å; L690-V713 HydrophobicContact CB-CG2 3.49Å; L690-V713 VanDerWaalsContact CB-CG2 3.49Å; L709-V713 VanDerWaalsContact O-CG2 3.28Å; L709-V713 WeakPolarHBondContact O-CG2 3.34Å; L709-V713 PolarHBondContact O-N 3.21Å; Y710-V713 PolarHBondContact O-N 2.88Å; V713-A715 VanDerWaalsContact C-N 3.32Å; V713-A715 PolarHBondContact O-N 3.19Å; V713-L716 PolarHBondContact O-N 3.17Å; V713-K717 PolarHBondContact O-N 3.24Å; V713-H720 HydrophobicContact CG1-CB 4.04Å; V713-A723 HydrophobicContact CB-CB 4.06Å; V713-A723 HydrophobicContact CG1-CB 3.6Å |
| 714 | I | 93.1 | Very high | 93 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 179.7 | -65.3 | 158 | 0 | 0 | 0 | 110.7 | Y710 E711 L716 K717 P718 A723 L724 L727 | Y710-I714 WeakPolarHBondContact O-CD1 3.29Å; Y710-I714 VanDerWaalsContact O-CG1 3.31Å; Y710-I714 WeakPolarHBondContact O-CG1 2.94Å; Y710-I714 PolarHBondContact O-N 3.35Å; E711-I714 PolarHBondContact O-N 2.84Å; I714-L716 VanDerWaalsContact C-N 3.32Å; I714-L716 PolarHBondContact O-N 2.97Å; I714-K717 CarbonylContact O-C 3.15Å; I714-K717 VanDerWaalsContact O-C 3.26Å; I714-K717 PolarHBondContact O-N 3.42Å; I714-P718 VanDerWaalsContact O-CA 3.3Å; I714-P718 WeakPolarHBondContact O-CA 3.43Å; I714-P718 WeakPolarHBondContact O-CD 3.29Å; I714-P718 VanDerWaalsContact O-N 3.11Å; I714-A723 HydrophobicContact CG1-CB 4.15Å; I714-L724 HydrophobicContact CD1-CD2 3.71Å; I714-L724 HydrophobicContact CD1-CG 4.33Å; I714-L724 HydrophobicContact CG1-CD2 3.88Å; I714-L724 HydrophobicContact CG1-CG 4.23Å; I714-L724 HydrophobicContact CG2-CD2 4.08Å; I714-L727 HydrophobicContact CD1-CB 4.23Å; I714-L727 HydrophobicContact CD1-CD2 3.44Å; I714-L727 VanDerWaalsContact CD1-CD2 3.44Å; I714-L727 HydrophobicContact CD1-CG 4.48Å |
| 715 | A | 92.9 | Very high | 93.1 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 69% | 0.694 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.1 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E711 S712 V713 | E711-A715 WeakPolarHBondContact O-CB 3.23Å; E711-A715 PolarHBondContact O-N 3.09Å; S712-A715 PolarHBondContact O-N 3.46Å; V713-A715 VanDerWaalsContact C-N 3.32Å; V713-A715 PolarHBondContact O-N 3.19Å |
| 716 | L | 90.2 | Very high | 93.1 | Very high | 107 Ų | 107 | 42.6 Ų | 42.6 | 56% | 0.56 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -78.7 | -38.3 | 175.3 | -68 | 170.6 | 0 | 0 | 0 | 112.4 | N687 L690 S712 V713 I714 | N687-L716 VanDerWaalsContact OD1-CB 3.3Å; N687-L716 WeakPolarHBondContact OD1-CB 3.49Å; N687-L716 WeakPolarHBondContact OD1-CD1 3.3Å; L690-L716 HydrophobicContact CD1-CD1 3.53Å; S712-L716 WeakPolarHBondContact O-CG 3.45Å; S712-L716 PolarHBondContact O-N 3.33Å; V713-L716 PolarHBondContact O-N 3.17Å; I714-L716 VanDerWaalsContact C-N 3.32Å; I714-L716 PolarHBondContact O-N 2.97Å |
| 717 | K | 88.9 | Confident | 93.2 | Very high | 82 Ų | 82 | 43 Ų | 43 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | trans | -141.1 | 90.6 | -176.7 | -171.8 | 170.1 | -179.4 | 173.3 | 0 | 111 | N687 V713 I714 D719 H720 | N687-K717 WeakPolarHBondContact ND2-CB 3.12Å; V713-K717 PolarHBondContact O-N 3.24Å; I714-K717 CarbonylContact O-C 3.15Å; I714-K717 VanDerWaalsContact O-C 3.26Å; I714-K717 PolarHBondContact O-N 3.42Å; K717-D719 VanDerWaalsContact CE-CG 3.42Å; K717-D719 WeakPolarHBondContact CE-OD1 3.46Å; K717-D719 VanDerWaalsContact CE-OD2 3.28Å; K717-D719 WeakPolarHBondContact CE-OD2 3.4Å; K717-D719 WeakPolarHBondContact CG-OD1 3.45Å; K717-D719 IonicContact NZ-OD2 2.64Å; K717-D719 PolarHBondContact O-N 3.47Å; K717-H720 HydrophobicContact CB-CB 4.32Å; K717-H720 HydrophobicContact CD-CB 4.49Å; K717-H720 HydrophobicContact CG-CB 4.21Å; K717-H720 VanDerWaalsContact O-CB 3.29Å; K717-H720 WeakPolarHBondContact O-CB 3.45Å; K717-H720 PolarHBondContact O-N 2.99Å; K717-H720 VanDerWaalsContact O-N 3.11Å | ||
| 718 | P | 89.4 | Confident | 93.2 | Very high | 87 Ų | 87 | 39.5 Ų | 39.5 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.7 | -176.3 | -26.1 | 35.4 | 0 | 0 | 0 | 114.8 | I714 H720 | I714-P718 VanDerWaalsContact O-CA 3.3Å; I714-P718 WeakPolarHBondContact O-CA 3.43Å; I714-P718 WeakPolarHBondContact O-CD 3.29Å; I714-P718 VanDerWaalsContact O-N 3.11Å; P718-H720 VanDerWaalsContact C-N 3.32Å |
| 719 | D | 85.8 | Confident | 93.2 | Very high | 88 Ų | 88 | 38.2 Ų | 38.2 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 12.6 | 178.1 | 67.3 | -40.4 | 0 | 0 | 0 | 113.5 | K717 V721 V750 | K717-D719 VanDerWaalsContact CE-CG 3.42Å; K717-D719 WeakPolarHBondContact CE-OD1 3.46Å; K717-D719 VanDerWaalsContact CE-OD2 3.28Å; K717-D719 WeakPolarHBondContact CE-OD2 3.4Å; K717-D719 WeakPolarHBondContact CG-OD1 3.45Å; K717-D719 IonicContact NZ-OD2 2.64Å; K717-D719 PolarHBondContact O-N 3.47Å; D719-V721 PolarHBondContact O-N 3.44Å; D719-V750 HydrophobicContact CB-CG1 3.85Å; D719-V750 HydrophobicContact CB-CG2 4.42Å; D719-V750 WeakPolarHBondContact O-CG1 3.43Å |
| 720 | H | 90.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | trans | -76.8 | 83 | 178.8 | -163.4 | -68.5 | 0 | 0 | 0 | 112.5 | Q688 Y691 V713 K717 P718 Q722 A723 L724 | Q688-H720 PolarHBondContact OE1-NE2 3Å; Y691-H720 AromaticContact CG-CE1 3.89Å; V713-H720 HydrophobicContact CG1-CB 4.04Å; K717-H720 HydrophobicContact CB-CB 4.32Å; K717-H720 HydrophobicContact CD-CB 4.49Å; K717-H720 HydrophobicContact CG-CB 4.21Å; K717-H720 VanDerWaalsContact O-CB 3.29Å; K717-H720 WeakPolarHBondContact O-CB 3.45Å; K717-H720 PolarHBondContact O-N 2.99Å; K717-H720 VanDerWaalsContact O-N 3.11Å; P718-H720 VanDerWaalsContact C-N 3.32Å; H720-Q722 VanDerWaalsContact C-N 3.31Å; H720-Q722 PolarHBondContact O-N 2.91Å; H720-Q722 VanDerWaalsContact O-N 3.14Å; H720-A723 HydrophobicContact CB-CB 4.21Å; H720-A723 WeakPolarHBondContact ND1-CB 3.36Å; H720-A723 PolarHBondContact ND1-N 2.89Å; H720-A723 VanDerWaalsContact ND1-N 3.17Å; H720-A723 PolarHBondContact O-N 3.16Å; H720-L724 PolarHBondContact O-N 3.18Å; H720-L724 VanDerWaalsContact O-N 3.16Å | ||
| 721 | V | 90.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -47.9 | -46.2 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 113.5 | D719 A723 L724 L725 V750 D751 V757 | D719-V721 PolarHBondContact O-N 3.44Å; V721-A723 VanDerWaalsContact C-N 3.28Å; V721-A723 PolarHBondContact O-N 3.37Å; V721-L724 PolarHBondContact O-N 3.13Å; V721-L725 HydrophobicContact CG1-CD1 4.03Å; V721-L725 HydrophobicContact CG1-CG 4.36Å; V721-L725 WeakPolarHBondContact O-CB 3.49Å; V721-L725 WeakPolarHBondContact O-CG 3.24Å; V721-L725 PolarHBondContact O-N 3.43Å; V721-V750 HydrophobicContact CG2-CB 4.29Å; V721-V750 HydrophobicContact CG2-CG1 3.51Å; V721-D751 HydrophobicContact CG1-CB 4.47Å; V721-D751 HydrophobicContact CG2-CB 3.85Å; V721-V757 HydrophobicContact CG1-CG2 4.16Å |
| 722 | Q | 92.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -31.7 | -178.1 | -67.5 | -175.8 | -19.1 | 0 | 0 | 113.1 | Y691 H720 S726 | Y691-Q722 HydrophobicContact CE1-CB 4Å; Y691-Q722 VanDerWaalsContact CE1-OE1 3.3Å; Y691-Q722 HydrophobicContact CE2-CB 4.06Å; Y691-Q722 WeakPolarHBondContact CE2-O 3.29Å; H720-Q722 VanDerWaalsContact C-N 3.31Å; H720-Q722 PolarHBondContact O-N 2.91Å; H720-Q722 VanDerWaalsContact O-N 3.14Å; Q722-S726 WeakPolarHBondContact O-CB 3.3Å; Q722-S726 PolarHBondContact O-N 3.41Å; Q722-S726 PolarHBondContact O-OG 3.05Å; Q722-S726 VanDerWaalsContact O-OG 3.1Å |
| 723 | A | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -78.4 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y691 V713 I714 H720 V721 S726 L727 | Y691-A723 HydrophobicContact CD2-CB 3.93Å; Y691-A723 HydrophobicContact CE2-CB 4.39Å; V713-A723 HydrophobicContact CB-CB 4.06Å; V713-A723 HydrophobicContact CG1-CB 3.6Å; I714-A723 HydrophobicContact CG1-CB 4.15Å; H720-A723 HydrophobicContact CB-CB 4.21Å; H720-A723 WeakPolarHBondContact ND1-CB 3.36Å; H720-A723 PolarHBondContact ND1-N 2.89Å; H720-A723 VanDerWaalsContact ND1-N 3.17Å; H720-A723 PolarHBondContact O-N 3.16Å; V721-A723 VanDerWaalsContact C-N 3.28Å; V721-A723 PolarHBondContact O-N 3.37Å; A723-S726 PolarHBondContact O-N 3.47Å; A723-L727 VanDerWaalsContact O-CB 3.29Å; A723-L727 WeakPolarHBondContact O-CB 3.35Å; A723-L727 PolarHBondContact O-N 3.06Å |
| 724 | L | 95.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 171.7 | -66.8 | 167.4 | 0 | 0 | 0 | 111.4 | I714 H720 V721 L727 A728 V743 D746 A747 V750 | I714-L724 HydrophobicContact CD1-CD2 3.71Å; I714-L724 HydrophobicContact CD1-CG 4.33Å; I714-L724 HydrophobicContact CG1-CD2 3.88Å; I714-L724 HydrophobicContact CG1-CG 4.23Å; I714-L724 HydrophobicContact CG2-CD2 4.08Å; H720-L724 PolarHBondContact O-N 3.18Å; H720-L724 VanDerWaalsContact O-N 3.16Å; V721-L724 PolarHBondContact O-N 3.13Å; L724-L727 PolarHBondContact O-N 3.01Å; L724-A728 VanDerWaalsContact O-CB 3.25Å; L724-A728 WeakPolarHBondContact O-CB 3.28Å; L724-A728 PolarHBondContact O-N 2.96Å; L724-V743 HydrophobicContact CB-CG1 4.24Å; L724-V743 HydrophobicContact CD2-CG1 3.87Å; L724-V743 WeakPolarHBondContact O-CG1 3.48Å; L724-D746 HydrophobicContact CD2-CB 4.39Å; L724-A747 HydrophobicContact CB-CB 3.77Å; L724-A747 HydrophobicContact CD1-CB 4.19Å; L724-V750 HydrophobicContact CD1-CG2 4.13Å |
| 725 | L | 95 | Very high | 92.1 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.6 | -79.2 | 175.3 | 0 | 0 | 0 | 112.1 | V721 A728 S729 R756 V757 L760 | V721-L725 HydrophobicContact CG1-CD1 4.03Å; V721-L725 HydrophobicContact CG1-CG 4.36Å; V721-L725 WeakPolarHBondContact O-CB 3.49Å; V721-L725 WeakPolarHBondContact O-CG 3.24Å; V721-L725 PolarHBondContact O-N 3.43Å; L725-A728 PolarHBondContact O-N 3.41Å; L725-S729 WeakPolarHBondContact O-CB 3.33Å; L725-S729 PolarHBondContact O-N 3.43Å; L725-R756 HydrophobicContact CD1-CB 3.83Å; L725-R756 HydrophobicContact CD2-CB 4.37Å; L725-V757 HydrophobicContact CD1-CG2 4.19Å; L725-V757 HydrophobicContact CD2-CB 4.19Å; L725-V757 HydrophobicContact CD2-CG2 3.6Å; L725-V757 HydrophobicContact CG-CG2 4.01Å; L725-L760 HydrophobicContact CD2-CB 4.42Å; L725-L760 HydrophobicContact CD2-CD2 3.79Å; L725-L760 WeakPolarHBondContact O-CD2 3.48Å |
| 726 | S | 94.8 | Very high | 92 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.9 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | Y691 Y710 Q722 A723 S729 L730 | Y691-S726 WeakPolarHBondContact CE2-OG 3.41Å; Y691-S726 PolarHBondContact OH-OG 3.47Å; Y710-S726 VanDerWaalsContact CZ-CB 3.47Å; Q722-S726 WeakPolarHBondContact O-CB 3.3Å; Q722-S726 PolarHBondContact O-N 3.41Å; Q722-S726 PolarHBondContact O-OG 3.05Å; Q722-S726 VanDerWaalsContact O-OG 3.1Å; A723-S726 PolarHBondContact O-N 3.47Å; S726-S729 PolarHBondContact O-N 2.88Å; S726-S729 PolarHBondContact O-OG 3.44Å; S726-L730 WeakPolarHBondContact O-CB 3.42Å; S726-L730 PolarHBondContact O-N 3.43Å |
| 727 | L | 96.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -47.8 | 177.1 | -179.4 | 61.5 | 0 | 0 | 0 | 112.1 | R707 Y710 E711 I714 A723 L724 S729 L730 L731 V743 | R707-L727 HydrophobicContact CG-CD1 4.08Å; Y710-L727 HydrophobicContact CD2-CB 4.35Å; E711-L727 HydrophobicContact CG-CD1 4.45Å; E711-L727 HydrophobicContact CG-CD2 4.12Å; I714-L727 HydrophobicContact CD1-CB 4.23Å; I714-L727 HydrophobicContact CD1-CD2 3.44Å; I714-L727 VanDerWaalsContact CD1-CD2 3.44Å; I714-L727 HydrophobicContact CD1-CG 4.48Å; A723-L727 VanDerWaalsContact O-CB 3.29Å; A723-L727 WeakPolarHBondContact O-CB 3.35Å; A723-L727 PolarHBondContact O-N 3.06Å; L724-L727 PolarHBondContact O-N 3.01Å; L727-S729 VanDerWaalsContact C-N 3.29Å; L727-S729 PolarHBondContact O-N 2.9Å; L727-L730 PolarHBondContact O-N 2.96Å; L727-L731 HydrophobicContact CD1-CD1 4.1Å; L727-L731 HydrophobicContact CD1-CG 4.05Å; L727-L731 HydrophobicContact CG-CD1 3.9Å; L727-L731 HydrophobicContact CG-CG 4.3Å; L727-L731 WeakPolarHBondContact O-CB 3.47Å; L727-L731 VanDerWaalsContact O-CG 3.25Å; L727-L731 WeakPolarHBondContact O-CG 3.35Å; L727-L731 PolarHBondContact O-N 3.35Å; L727-V743 HydrophobicContact CB-CG1 4.32Å; L727-V743 HydrophobicContact CD2-CG1 4.2Å; L727-V743 HydrophobicContact CD2-CG2 4.28Å; L727-V743 HydrophobicContact CG-CG1 4.33Å |
| 728 | A | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L724 L725 L731 H732 A740 V743 A744 L760 I764 | L724-A728 VanDerWaalsContact O-CB 3.25Å; L724-A728 WeakPolarHBondContact O-CB 3.28Å; L724-A728 PolarHBondContact O-N 2.96Å; L725-A728 PolarHBondContact O-N 3.41Å; A728-L731 PolarHBondContact O-N 2.99Å; A728-H732 VanDerWaalsContact O-CB 3.31Å; A728-H732 WeakPolarHBondContact O-CB 3.29Å; A728-H732 PolarHBondContact O-N 2.88Å; A728-A740 WeakPolarHBondContact O-CB 3.46Å; A728-V743 HydrophobicContact CB-CB 4.1Å; A728-V743 HydrophobicContact CB-CG1 3.95Å; A728-A744 HydrophobicContact CB-CB 4.19Å; A728-L760 HydrophobicContact CB-CD2 3.69Å; A728-I764 HydrophobicContact CB-CD1 4.46Å |
| 729 | S | 95.2 | Very high | 92 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.4 | 85.2 | 0 | 0 | 0 | 0 | 112.6 | L725 S726 L727 H732 K733 | L725-S729 WeakPolarHBondContact O-CB 3.33Å; L725-S729 PolarHBondContact O-N 3.43Å; S726-S729 PolarHBondContact O-N 2.88Å; S726-S729 PolarHBondContact O-OG 3.44Å; L727-S729 VanDerWaalsContact C-N 3.29Å; L727-S729 PolarHBondContact O-N 2.9Å; S729-H732 PolarHBondContact O-N 3.35Å; S729-K733 VanDerWaalsContact O-CG 3.29Å; S729-K733 WeakPolarHBondContact O-CG 3.49Å; S729-K733 PolarHBondContact O-N 2.86Å |
| 730 | L | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 178.9 | -176.2 | 149.9 | 0 | 0 | 0 | 111.3 | E698 V703 A706 R707 Y710 S726 L727 K733 N734 | E698-L730 HydrophobicContact CG-CD1 4.27Å; V703-L730 HydrophobicContact CG1-CD1 4.45Å; V703-L730 HydrophobicContact CG1-CD2 3.94Å; V703-L730 HydrophobicContact CG1-CG 4.29Å; A706-L730 HydrophobicContact CB-CD1 3.64Å; R707-L730 HydrophobicContact CB-CD2 4.07Å; Y710-L730 HydrophobicContact CD2-CD1 4.4Å; Y710-L730 HydrophobicContact CE2-CD1 4.05Å; S726-L730 WeakPolarHBondContact O-CB 3.42Å; S726-L730 PolarHBondContact O-N 3.43Å; L727-L730 PolarHBondContact O-N 2.96Å; L730-K733 PolarHBondContact O-N 2.67Å; L730-N734 WeakPolarHBondContact O-CB 3.42Å; L730-N734 VanDerWaalsContact O-CG 3.22Å; L730-N734 PolarHBondContact O-N 3.3Å; L730-N734 VanDerWaalsContact O-N 3.14Å; L730-N734 PolarHBondContact O-ND2 3.24Å |
| 731 | L | 93 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.6 | -69.4 | 172.4 | 0 | 0 | 0 | 111.5 | L727 A728 N734 N735 Q736 L739 A740 V743 | L727-L731 HydrophobicContact CD1-CD1 4.1Å; L727-L731 HydrophobicContact CD1-CG 4.05Å; L727-L731 HydrophobicContact CG-CD1 3.9Å; L727-L731 HydrophobicContact CG-CG 4.3Å; L727-L731 WeakPolarHBondContact O-CB 3.47Å; L727-L731 VanDerWaalsContact O-CG 3.25Å; L727-L731 WeakPolarHBondContact O-CG 3.35Å; L727-L731 PolarHBondContact O-N 3.35Å; A728-L731 PolarHBondContact O-N 2.99Å; L731-N734 CarbonylContact O-C 3.55Å; L731-N734 PolarHBondContact O-N 3.32Å; L731-N735 PolarHBondContact O-N 2.87Å; L731-Q736 HydrophobicContact CB-CB 4.32Å; L731-Q736 HydrophobicContact CD2-CB 4.28Å; L731-Q736 PolarHBondContact O-N 3.34Å; L731-L739 HydrophobicContact CD1-CB 4.07Å; L731-A740 HydrophobicContact CB-CB 3.85Å; L731-V743 HydrophobicContact CD1-CG2 4.02Å |
| 732 | H | 92.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.222 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 176.6 | -178.4 | 62.7 | 0 | 0 | 0 | 111.8 | A728 S729 N734 N735 A740 I764 | A728-H732 VanDerWaalsContact O-CB 3.31Å; A728-H732 WeakPolarHBondContact O-CB 3.29Å; A728-H732 PolarHBondContact O-N 2.88Å; S729-H732 PolarHBondContact O-N 3.35Å; H732-N734 PolarHBondContact O-N 3.29Å; H732-N735 PolarHBondContact O-N 2.92Å; H732-A740 HydrophobicContact CB-CB 3.98Å; H732-I764 HydrophobicContact CB-CG1 4.05Å |
| 733 | K | 90.6 | Very high | 92.5 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 59% | 0.587 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57.4 | -30.5 | 174.7 | -71.1 | 171 | -171.9 | 171.5 | 0 | 112.7 | E698 S729 L730 N735 | E698-K733 IonicContact OE1-NZ 2.66Å; E698-K733 PolarHBondContact OE1-NZ 3.23Å; S729-K733 VanDerWaalsContact O-CG 3.29Å; S729-K733 WeakPolarHBondContact O-CG 3.49Å; S729-K733 PolarHBondContact O-N 2.86Å; L730-K733 PolarHBondContact O-N 2.67Å; K733-N735 VanDerWaalsContact C-N 3.3Å; K733-N735 PolarHBondContact O-N 3.17Å |
| 734 | N | 90.5 | Very high | 92.4 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 14.4 | 178.3 | -67.4 | -12 | 0 | 0 | 0 | 114.1 | V703 L730 L731 H732 Q736 | V703-N734 WeakPolarHBondContact CG1-ND2 3.42Å; L730-N734 WeakPolarHBondContact O-CB 3.42Å; L730-N734 VanDerWaalsContact O-CG 3.22Å; L730-N734 PolarHBondContact O-N 3.3Å; L730-N734 VanDerWaalsContact O-N 3.14Å; L730-N734 PolarHBondContact O-ND2 3.24Å; L731-N734 CarbonylContact O-C 3.55Å; L731-N734 PolarHBondContact O-N 3.32Å; H732-N734 PolarHBondContact O-N 3.29Å; N734-Q736 PolarHBondContact O-N 2.95Å |
| 735 | N | 87.7 | Confident | 92.1 | Very high | 114 Ų | 114 | 45.9 Ų | 45.9 | 61% | 0.61 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 20 | -176.7 | -64 | -50.8 | 0 | 0 | 0 | 114.9 | L731 H732 K733 T737 N769 | L731-N735 PolarHBondContact O-N 2.87Å; H732-N735 PolarHBondContact O-N 2.92Å; K733-N735 VanDerWaalsContact C-N 3.3Å; K733-N735 PolarHBondContact O-N 3.17Å; N735-T737 VanDerWaalsContact C-N 3.29Å; N735-T737 PolarHBondContact O-N 3.41Å; N735-N769 PolarHBondContact OD1-ND2 3.35Å; N735-N769 VanDerWaalsContact OD1-ND2 3.15Å |
| 736 | Q | 90 | Very high | 91.9 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | trans | -91.9 | 60.2 | 173.7 | -61.6 | -174.1 | 2.7 | 0 | 0 | 110.2 | L731 N734 T738 L739 A740 | L731-Q736 HydrophobicContact CB-CB 4.32Å; L731-Q736 HydrophobicContact CD2-CB 4.28Å; L731-Q736 PolarHBondContact O-N 3.34Å; N734-Q736 PolarHBondContact O-N 2.95Å; Q736-T738 PolarHBondContact O-N 3.15Å; Q736-L739 PolarHBondContact O-N 2.97Å; Q736-A740 WeakPolarHBondContact O-CB 3.37Å; Q736-A740 PolarHBondContact O-N 3.27Å | ||
| 737 | T | 87.7 | Confident | 91.8 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | -170.7 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | N735 L739 A740 E741 N769 | N735-T737 VanDerWaalsContact C-N 3.29Å; N735-T737 PolarHBondContact O-N 3.41Å; T737-L739 VanDerWaalsContact C-N 3.34Å; T737-L739 PolarHBondContact O-N 3.2Å; T737-A740 WeakPolarHBondContact O-CB 3.12Å; T737-A740 PolarHBondContact O-N 2.86Å; T737-E741 WeakPolarHBondContact O-CB 3.32Å; T737-E741 PolarHBondContact O-N 3.42Å; T737-N769 HydrophobicContact CG2-CB 3.79Å; T737-N769 PolarHBondContact OG1-O 2.87Å |
| 738 | T | 88.9 | Confident | 91.5 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -36.3 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | Q736 R742 P771 | Q736-T738 PolarHBondContact O-N 3.15Å; T738-R742 WeakPolarHBondContact O-CG 3.36Å; T738-R742 PolarHBondContact O-N 2.92Å; T738-P771 HydrophobicContact CG2-CG 3.98Å |
| 739 | L | 90.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.346 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.3 | -41.4 | 174.6 | -66.1 | 178.8 | 0 | 0 | 0 | 111 | L731 Q736 T737 E741 R742 V743 | L731-L739 HydrophobicContact CD1-CB 4.07Å; Q736-L739 PolarHBondContact O-N 2.97Å; T737-L739 VanDerWaalsContact C-N 3.34Å; T737-L739 PolarHBondContact O-N 3.2Å; L739-E741 VanDerWaalsContact C-N 3.29Å; L739-E741 PolarHBondContact O-N 3.02Å; L739-R742 PolarHBondContact O-N 3.23Å; L739-V743 WeakPolarHBondContact O-CG2 3.4Å; L739-V743 PolarHBondContact O-N 3.5Å |
| 740 | A | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A728 L731 H732 Q736 T737 V743 A744 I764 | A728-A740 WeakPolarHBondContact O-CB 3.46Å; L731-A740 HydrophobicContact CB-CB 3.85Å; H732-A740 HydrophobicContact CB-CB 3.98Å; Q736-A740 WeakPolarHBondContact O-CB 3.37Å; Q736-A740 PolarHBondContact O-N 3.27Å; T737-A740 WeakPolarHBondContact O-CB 3.12Å; T737-A740 PolarHBondContact O-N 2.86Å; A740-V743 PolarHBondContact O-N 2.85Å; A740-A744 VanDerWaalsContact O-CB 3.27Å; A740-A744 WeakPolarHBondContact O-CB 3.4Å; A740-A744 PolarHBondContact O-N 3.45Å; A740-I764 HydrophobicContact CB-CD1 3.89Å; A740-I764 HydrophobicContact CB-CG1 4.24Å; A740-I764 HydrophobicContact CB-CG2 4.37Å |
| 741 | E | 91.7 | Very high | 90 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.5 | -168 | -170.7 | 164.3 | 0 | 0 | 112.1 | T737 L739 A744 R745 L761 I764 L765 | T737-E741 WeakPolarHBondContact O-CB 3.32Å; T737-E741 PolarHBondContact O-N 3.42Å; L739-E741 VanDerWaalsContact C-N 3.29Å; L739-E741 PolarHBondContact O-N 3.02Å; E741-A744 PolarHBondContact O-N 3.04Å; E741-R745 WeakPolarHBondContact O-CG 3.34Å; E741-R745 PolarHBondContact O-N 3.37Å; E741-R745 IonicContact OE1-CZ 3.66Å; E741-R745 IonicContact OE1-NH1 3.6Å; E741-R745 PolarHBondContact OE1-NH1 3.16Å; E741-R745 IonicContact OE1-NH2 2.66Å; E741-R745 PolarHBondContact OE1-NH2 3.49Å; E741-L761 HydrophobicContact CG-CD1 4.38Å; E741-I764 HydrophobicContact CB-CG2 3.8Å; E741-I764 HydrophobicContact CG-CG2 4.33Å; E741-L765 HydrophobicContact CG-CD2 4.01Å; E741-L765 WeakPolarHBondContact OE1-CD2 3.26Å |
| 742 | R | 92.2 | Very high | 89.6 | Confident | 167 Ų | 167 | 56.3 Ų | 56.3 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61 | -51.3 | 175.4 | -71.4 | 175.6 | -173.6 | -172.3 | 1.4 | 111.1 | T738 L739 A744 R745 D746 | T738-R742 WeakPolarHBondContact O-CG 3.36Å; T738-R742 PolarHBondContact O-N 2.92Å; L739-R742 PolarHBondContact O-N 3.23Å; R742-A744 VanDerWaalsContact C-N 3.31Å; R742-A744 PolarHBondContact O-N 3.46Å; R742-R745 PolarHBondContact O-N 2.97Å; R742-R745 VanDerWaalsContact O-N 3.14Å; R742-D746 PolarHBondContact O-N 2.95Å |
| 743 | V | 93.8 | Very high | 89.2 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 179.6 | 180 | 0 | 0 | 0 | 0 | 111.5 | L724 L727 A728 L731 L739 A740 D746 A747 | L724-V743 HydrophobicContact CB-CG1 4.24Å; L724-V743 HydrophobicContact CD2-CG1 3.87Å; L724-V743 WeakPolarHBondContact O-CG1 3.48Å; L727-V743 HydrophobicContact CB-CG1 4.32Å; L727-V743 HydrophobicContact CD2-CG1 4.2Å; L727-V743 HydrophobicContact CD2-CG2 4.28Å; L727-V743 HydrophobicContact CG-CG1 4.33Å; A728-V743 HydrophobicContact CB-CB 4.1Å; A728-V743 HydrophobicContact CB-CG1 3.95Å; L731-V743 HydrophobicContact CD1-CG2 4.02Å; L739-V743 WeakPolarHBondContact O-CG2 3.4Å; L739-V743 PolarHBondContact O-N 3.5Å; A740-V743 PolarHBondContact O-N 2.85Å; V743-D746 WeakPolarHBondContact O-CB 3.26Å; V743-D746 PolarHBondContact O-N 3.39Å; V743-A747 PolarHBondContact O-N 3.34Å |
| 744 | A | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A728 A740 E741 R742 A747 M748 L761 I764 | A728-A744 HydrophobicContact CB-CB 4.19Å; A740-A744 VanDerWaalsContact O-CB 3.27Å; A740-A744 WeakPolarHBondContact O-CB 3.4Å; A740-A744 PolarHBondContact O-N 3.45Å; E741-A744 PolarHBondContact O-N 3.04Å; R742-A744 VanDerWaalsContact C-N 3.31Å; R742-A744 PolarHBondContact O-N 3.46Å; A744-A747 WeakPolarHBondContact O-CB 2.94Å; A744-A747 PolarHBondContact O-N 3.14Å; A744-M748 WeakPolarHBondContact O-CB 3.29Å; A744-M748 PolarHBondContact O-N 2.94Å; A744-L761 HydrophobicContact CB-CB 4.45Å; A744-L761 HydrophobicContact CB-CD1 3.91Å; A744-I764 HydrophobicContact CB-CD1 3.75Å |
| 745 | R | 91.1 | Very high | 89 | Confident | 100 Ų | 100 | 47 Ų | 47 | 38% | 0.377 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 171.4 | -74.9 | -163.6 | -179.7 | 98.6 | 6.6 | 112.5 | E741 R742 A747 M748 N749 L761 | E741-R745 WeakPolarHBondContact O-CG 3.34Å; E741-R745 PolarHBondContact O-N 3.37Å; E741-R745 IonicContact OE1-CZ 3.66Å; E741-R745 IonicContact OE1-NH1 3.6Å; E741-R745 PolarHBondContact OE1-NH1 3.16Å; E741-R745 IonicContact OE1-NH2 2.66Å; E741-R745 PolarHBondContact OE1-NH2 3.49Å; R742-R745 PolarHBondContact O-N 2.97Å; R742-R745 VanDerWaalsContact O-N 3.14Å; R745-A747 VanDerWaalsContact C-N 3.33Å; R745-M748 HydrophobicContact CG-CE 4.44Å; R745-M748 WeakPolarHBondContact O-CB 3.4Å; R745-M748 PolarHBondContact O-N 3.44Å; R745-N749 PolarHBondContact O-N 2.9Å; R745-N749 PolarHBondContact O-ND2 2.87Å; R745-L761 HydrophobicContact CG-CD1 4.21Å |
| 746 | D | 90.8 | Very high | 89.2 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -44.4 | 173 | -63.9 | -24.6 | 0 | 0 | 0 | 110.4 | L724 R742 V743 M748 N749 V750 | L724-D746 HydrophobicContact CD2-CB 4.39Å; R742-D746 PolarHBondContact O-N 2.95Å; V743-D746 WeakPolarHBondContact O-CB 3.26Å; V743-D746 PolarHBondContact O-N 3.39Å; D746-M748 VanDerWaalsContact C-N 3.28Å; D746-M748 PolarHBondContact O-N 3.49Å; D746-N749 PolarHBondContact O-N 3.03Å; D746-V750 WeakPolarHBondContact O-CG2 3.49Å; D746-V750 PolarHBondContact O-N 3.22Å; D746-V750 VanDerWaalsContact O-N 3.08Å |
| 747 | A | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -38.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L724 V743 A744 R745 V750 D751 V757 | L724-A747 HydrophobicContact CB-CB 3.77Å; L724-A747 HydrophobicContact CD1-CB 4.19Å; V743-A747 PolarHBondContact O-N 3.34Å; A744-A747 WeakPolarHBondContact O-CB 2.94Å; A744-A747 PolarHBondContact O-N 3.14Å; R745-A747 VanDerWaalsContact C-N 3.33Å; A747-V750 PolarHBondContact O-N 3.49Å; A747-D751 PolarHBondContact O-N 3.29Å; A747-V757 HydrophobicContact CB-CG1 3.95Å; A747-V757 HydrophobicContact CB-CG2 3.88Å |
| 748 | M | 89.9 | Confident | 89.6 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 18% | 0.177 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -38 | 178.4 | -177.5 | -167.8 | 69.2 | 0 | 0 | 111.6 | A744 R745 D746 V750 D751 P752 V757 W758 L761 | A744-M748 WeakPolarHBondContact O-CB 3.29Å; A744-M748 PolarHBondContact O-N 2.94Å; R745-M748 HydrophobicContact CG-CE 4.44Å; R745-M748 WeakPolarHBondContact O-CB 3.4Å; R745-M748 PolarHBondContact O-N 3.44Å; D746-M748 VanDerWaalsContact C-N 3.28Å; D746-M748 PolarHBondContact O-N 3.49Å; M748-V750 VanDerWaalsContact C-N 3.31Å; M748-D751 CarbonylContact O-C 3.27Å; M748-P752 WeakPolarHBondContact O-CA 3.34Å; M748-P752 VanDerWaalsContact O-CD 3.23Å; M748-P752 WeakPolarHBondContact O-CD 3.33Å; M748-P752 VanDerWaalsContact O-CG 3.22Å; M748-P752 WeakPolarHBondContact O-CG 3.41Å; M748-V757 HydrophobicContact CB-CG1 3.68Å; M748-W758 HydrophobicContact CG-CH2 4.37Å; M748-W758 HydrophobicContact CG-CZ2 4.03Å; M748-W758 HydrophobicContact SD-CH2 3.65Å; M748-W758 HydrophobicContact SD-CZ2 3.92Å; M748-W758 HydrophobicContact SD-CZ3 4.03Å; M748-L761 HydrophobicContact SD-CD2 3.93Å |
| 749 | N | 85.8 | Confident | 89.9 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.6 | -34.6 | 176.4 | -68.1 | -26.9 | 0 | 0 | 0 | 111.7 | R745 D746 | R745-N749 PolarHBondContact O-N 2.9Å; R745-N749 PolarHBondContact O-ND2 2.87Å; D746-N749 PolarHBondContact O-N 3.03Å |
| 750 | V | 83.8 | Confident | 90 | Very high | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.9 | -54.3 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | D719 V721 L724 D746 A747 M748 | D719-V750 HydrophobicContact CB-CG1 3.85Å; D719-V750 HydrophobicContact CB-CG2 4.42Å; D719-V750 WeakPolarHBondContact O-CG1 3.43Å; V721-V750 HydrophobicContact CG2-CB 4.29Å; V721-V750 HydrophobicContact CG2-CG1 3.51Å; L724-V750 HydrophobicContact CD1-CG2 4.13Å; D746-V750 WeakPolarHBondContact O-CG2 3.49Å; D746-V750 PolarHBondContact O-N 3.22Å; D746-V750 VanDerWaalsContact O-N 3.08Å; A747-V750 PolarHBondContact O-N 3.49Å; M748-V750 VanDerWaalsContact C-N 3.31Å |
| 751 | D | 82.9 | Confident | 90 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | trans | -129.8 | 87.9 | 176.5 | -173.9 | 10.3 | 0 | 0 | 0 | 112.2 | V721 A747 M748 T753 S754 Y799 | V721-D751 HydrophobicContact CG1-CB 4.47Å; V721-D751 HydrophobicContact CG2-CB 3.85Å; A747-D751 PolarHBondContact O-N 3.29Å; M748-D751 CarbonylContact O-C 3.27Å; D751-T753 PolarHBondContact O-N 3.38Å; D751-T753 VanDerWaalsContact O-N 3.08Å; D751-T753 WeakPolarHBondContact OD1-CA 3.3Å; D751-T753 WeakPolarHBondContact OD1-CB 3.14Å; D751-T753 PolarHBondContact OD1-N 3.29Å; D751-T753 PolarHBondContact OD1-OG1 3.41Å; D751-S754 PolarHBondContact O-N 2.93Å; D751-S754 PolarHBondContact OD1-N 3.06Å; D751-S754 WeakPolarHBondContact OD2-CB 3.05Å; D751-Y799 PolarHBondContact OD2-OH 3.22Å | ||
| 752 | P | 84.3 | Confident | 89.9 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.8 | 174.4 | -19.9 | 28.8 | 0 | 0 | 0 | 113.8 | M748 W758 | M748-P752 WeakPolarHBondContact O-CA 3.34Å; M748-P752 VanDerWaalsContact O-CD 3.23Å; M748-P752 WeakPolarHBondContact O-CD 3.33Å; M748-P752 VanDerWaalsContact O-CG 3.22Å; M748-P752 WeakPolarHBondContact O-CG 3.41Å; P752-W758 PolarHBondContact O-NE1 2.95Å |
| 753 | T | 83.9 | Confident | 89.9 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.3 | -177.5 | 73 | 0 | 0 | 0 | 0 | 113.4 | R456 D751 | R456-T753 PolarHBondContact NH2-OG1 3.37Å; D751-T753 PolarHBondContact O-N 3.38Å; D751-T753 VanDerWaalsContact O-N 3.08Å; D751-T753 WeakPolarHBondContact OD1-CA 3.3Å; D751-T753 WeakPolarHBondContact OD1-CB 3.14Å; D751-T753 PolarHBondContact OD1-N 3.29Å; D751-T753 PolarHBondContact OD1-OG1 3.41Å |
| 754 | S | 87.7 | Confident | 89.7 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -85.2 | 114.8 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | D751 R756 V757 W758 | D751-S754 PolarHBondContact O-N 2.93Å; D751-S754 PolarHBondContact OD1-N 3.06Å; D751-S754 WeakPolarHBondContact OD2-CB 3.05Å; S754-R756 PolarHBondContact O-N 3.3Å; S754-V757 PolarHBondContact O-N 3.42Å; S754-W758 VanDerWaalsContact O-CD1 3.29Å; S754-W758 PolarHBondContact O-N 2.91Å | ||
| 755 | F | 90.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -31 | 176.1 | 91.8 | -69.3 | 0 | 0 | 0 | 112.4 | V757 W758 R759 A786 L789 E790 E793 | F755-V757 PolarHBondContact O-N 3.3Å; F755-W758 PolarHBondContact O-N 2.78Å; F755-R759 WeakPolarHBondContact O-CB 3.49Å; F755-R759 PolarHBondContact O-N 3.49Å; F755-A786 HydrophobicContact CB-CB 4.39Å; F755-A786 VanDerWaalsContact CB-O 3.31Å; F755-A786 WeakPolarHBondContact CB-O 3.48Å; F755-L789 HydrophobicContact CB-CB 3.86Å; F755-E790 HydrophobicContact CB-CB 4.24Å; F755-E790 HydrophobicContact CD2-CB 3.79Å; F755-E790 HydrophobicContact CD2-CG 4Å; F755-E790 HydrophobicContact CE2-CB 4.32Å; F755-E790 HydrophobicContact CE2-CG 4Å; F755-E790 HydrophobicContact CG-CB 3.99Å; F755-E790 HydrophobicContact CG-CG 4.43Å; F755-E790 HydrophobicContact CZ-CG 4.46Å; F755-E793 HydrophobicContact CD1-CG 4.41Å; F755-E793 VanDerWaalsContact CD1-OE1 3.28Å; F755-E793 WeakPolarHBondContact CD1-OE1 3.48Å; F755-E793 WeakPolarHBondContact CD1-OE2 3.37Å; F755-E793 VanDerWaalsContact CE1-CD 3.48Å; F755-E793 WeakPolarHBondContact CE1-OE2 3.09Å |
| 756 | R | 92.3 | Very high | 89.3 | Confident | 125 Ų | 125 | 38.9 Ų | 38.9 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 179 | -60.2 | -179 | 66.8 | 170.1 | -0.3 | 111.1 | L725 S754 L760 | L725-R756 HydrophobicContact CD1-CB 3.83Å; L725-R756 HydrophobicContact CD2-CB 4.37Å; S754-R756 PolarHBondContact O-N 3.3Å; R756-L760 VanDerWaalsContact O-CB 3.23Å; R756-L760 WeakPolarHBondContact O-CB 3.41Å; R756-L760 PolarHBondContact O-N 2.6Å |
| 757 | V | 92.2 | Very high | 89 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.7 | -49.7 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | V721 L725 A747 M748 S754 F755 R759 L760 L761 | V721-V757 HydrophobicContact CG1-CG2 4.16Å; L725-V757 HydrophobicContact CD1-CG2 4.19Å; L725-V757 HydrophobicContact CD2-CB 4.19Å; L725-V757 HydrophobicContact CD2-CG2 3.6Å; L725-V757 HydrophobicContact CG-CG2 4.01Å; A747-V757 HydrophobicContact CB-CG1 3.95Å; A747-V757 HydrophobicContact CB-CG2 3.88Å; M748-V757 HydrophobicContact CB-CG1 3.68Å; S754-V757 PolarHBondContact O-N 3.42Å; F755-V757 PolarHBondContact O-N 3.3Å; V757-R759 PolarHBondContact O-N 3.03Å; V757-L760 PolarHBondContact O-N 3.02Å; V757-L761 VanDerWaalsContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CB 3.1Å; V757-L761 PolarHBondContact O-N 2.96Å |
| 758 | W | 93.4 | Very high | 88 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.8 | -74.4 | 102.5 | 0 | 0 | 0 | 113 | M748 P752 S754 F755 L761 A762 A782 A786 L789 | M748-W758 HydrophobicContact CG-CH2 4.37Å; M748-W758 HydrophobicContact CG-CZ2 4.03Å; M748-W758 HydrophobicContact SD-CH2 3.65Å; M748-W758 HydrophobicContact SD-CZ2 3.92Å; M748-W758 HydrophobicContact SD-CZ3 4.03Å; P752-W758 PolarHBondContact O-NE1 2.95Å; S754-W758 VanDerWaalsContact O-CD1 3.29Å; S754-W758 PolarHBondContact O-N 2.91Å; F755-W758 PolarHBondContact O-N 2.78Å; W758-L761 PolarHBondContact O-N 3.17Å; W758-A762 WeakPolarHBondContact O-CB 3.42Å; W758-A762 PolarHBondContact O-N 3.44Å; W758-A782 HydrophobicContact CE3-CB 4.01Å; W758-A782 HydrophobicContact CZ3-CB 4.48Å; W758-A786 HydrophobicContact CB-CB 3.85Å; W758-L789 VanDerWaalsContact CD1-CD1 3.4Å; W758-L789 HydrophobicContact CG-CD1 4.38Å |
| 759 | R | 94 | Very high | 87 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 176.2 | -169.3 | 174.4 | 71.7 | -172.5 | 2.1 | 111.4 | F755 V757 L761 A762 D763 A786 | F755-R759 WeakPolarHBondContact O-CB 3.49Å; F755-R759 PolarHBondContact O-N 3.49Å; V757-R759 PolarHBondContact O-N 3.03Å; R759-L761 VanDerWaalsContact C-N 3.31Å; R759-L761 PolarHBondContact O-N 3.1Å; R759-A762 WeakPolarHBondContact O-CB 3.4Å; R759-A762 PolarHBondContact O-N 3.43Å; R759-D763 VanDerWaalsContact O-CG 3.28Å; R759-D763 PolarHBondContact O-N 3.15Å; R759-A786 HydrophobicContact CB-CB 4.21Å |
| 760 | L | 92.9 | Very high | 86.2 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 177.6 | -178.9 | 61.9 | 0 | 0 | 0 | 111.7 | L725 A728 R756 V757 A762 D763 I764 | L725-L760 HydrophobicContact CD2-CB 4.42Å; L725-L760 HydrophobicContact CD2-CD2 3.79Å; L725-L760 WeakPolarHBondContact O-CD2 3.48Å; A728-L760 HydrophobicContact CB-CD2 3.69Å; R756-L760 VanDerWaalsContact O-CB 3.23Å; R756-L760 WeakPolarHBondContact O-CB 3.41Å; R756-L760 PolarHBondContact O-N 2.6Å; V757-L760 PolarHBondContact O-N 3.02Å; L760-A762 VanDerWaalsContact C-N 3.35Å; L760-D763 PolarHBondContact O-N 3.33Å; L760-I764 HydrophobicContact CD1-CD1 4.17Å; L760-I764 HydrophobicContact CD1-CG1 4.42Å; L760-I764 HydrophobicContact CG-CD1 3.87Å; L760-I764 WeakPolarHBondContact O-CD1 3.49Å; L760-I764 WeakPolarHBondContact O-CG1 3.36Å; L760-I764 PolarHBondContact O-N 3.11Å |
| 761 | L | 91.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.3 | -175.4 | 65.4 | 0 | 0 | 0 | 111.1 | E741 A744 R745 M748 V757 W758 R759 I764 L765 | E741-L761 HydrophobicContact CG-CD1 4.38Å; A744-L761 HydrophobicContact CB-CB 4.45Å; A744-L761 HydrophobicContact CB-CD1 3.91Å; R745-L761 HydrophobicContact CG-CD1 4.21Å; M748-L761 HydrophobicContact SD-CD2 3.93Å; V757-L761 VanDerWaalsContact O-CB 3.28Å; V757-L761 WeakPolarHBondContact O-CB 3.1Å; V757-L761 PolarHBondContact O-N 2.96Å; W758-L761 PolarHBondContact O-N 3.17Å; R759-L761 VanDerWaalsContact C-N 3.31Å; R759-L761 PolarHBondContact O-N 3.1Å; L761-I764 PolarHBondContact O-N 2.69Å; L761-L765 HydrophobicContact CD1-CD1 4.24Å; L761-L765 HydrophobicContact CD1-CG 4.26Å; L761-L765 HydrophobicContact CG-CD1 3.9Å; L761-L765 HydrophobicContact CG-CG 4.31Å; L761-L765 WeakPolarHBondContact O-CB 3.35Å; L761-L765 WeakPolarHBondContact O-CG 3.48Å; L761-L765 PolarHBondContact O-N 3.25Å |
| 762 | A | 91.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W758 R759 L760 I764 L765 G766 V779 A782 L783 | W758-A762 WeakPolarHBondContact O-CB 3.42Å; W758-A762 PolarHBondContact O-N 3.44Å; R759-A762 WeakPolarHBondContact O-CB 3.4Å; R759-A762 PolarHBondContact O-N 3.43Å; L760-A762 VanDerWaalsContact C-N 3.35Å; A762-I764 VanDerWaalsContact C-N 3.34Å; A762-I764 PolarHBondContact O-N 2.94Å; A762-L765 PolarHBondContact O-N 3.24Å; A762-G766 PolarHBondContact O-N 3.36Å; A762-V779 HydrophobicContact CB-CG1 4.38Å; A762-A782 HydrophobicContact CB-CB 3.93Å; A762-L783 HydrophobicContact CB-CD2 3.62Å; A762-L783 HydrophobicContact CB-CG 3.69Å |
| 763 | D | 90.6 | Very high | 83.9 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.5 | -65.2 | -24.6 | 0 | 0 | 0 | 111.3 | R759 L760 S767 | R759-D763 VanDerWaalsContact O-CG 3.28Å; R759-D763 PolarHBondContact O-N 3.15Å; L760-D763 PolarHBondContact O-N 3.33Å; D763-S767 PolarHBondContact O-N 3.28Å |
| 764 | I | 90.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177 | -67.4 | 162.1 | 0 | 0 | 0 | 111.1 | A728 H732 A740 E741 A744 L760 L761 A762 S767 | A728-I764 HydrophobicContact CB-CD1 4.46Å; H732-I764 HydrophobicContact CB-CG1 4.05Å; A740-I764 HydrophobicContact CB-CD1 3.89Å; A740-I764 HydrophobicContact CB-CG1 4.24Å; A740-I764 HydrophobicContact CB-CG2 4.37Å; E741-I764 HydrophobicContact CB-CG2 3.8Å; E741-I764 HydrophobicContact CG-CG2 4.33Å; A744-I764 HydrophobicContact CB-CD1 3.75Å; L760-I764 HydrophobicContact CD1-CD1 4.17Å; L760-I764 HydrophobicContact CD1-CG1 4.42Å; L760-I764 HydrophobicContact CG-CD1 3.87Å; L760-I764 WeakPolarHBondContact O-CD1 3.49Å; L760-I764 WeakPolarHBondContact O-CG1 3.36Å; L760-I764 PolarHBondContact O-N 3.11Å; L761-I764 PolarHBondContact O-N 2.69Å; A762-I764 VanDerWaalsContact C-N 3.34Å; A762-I764 PolarHBondContact O-N 2.94Å; I764-S767 WeakPolarHBondContact O-CB 3.33Å; I764-S767 PolarHBondContact O-N 2.7Å; I764-S767 PolarHBondContact O-OG 3.38Å |
| 765 | L | 88.1 | Confident | 83.3 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.7 | -30.7 | -178.7 | -69.5 | 175.6 | 0 | 0 | 0 | 113.2 | E741 L761 A762 S767 A774 V778 V779 | E741-L765 HydrophobicContact CG-CD2 4.01Å; E741-L765 WeakPolarHBondContact OE1-CD2 3.26Å; L761-L765 HydrophobicContact CD1-CD1 4.24Å; L761-L765 HydrophobicContact CD1-CG 4.26Å; L761-L765 HydrophobicContact CG-CD1 3.9Å; L761-L765 HydrophobicContact CG-CG 4.31Å; L761-L765 WeakPolarHBondContact O-CB 3.35Å; L761-L765 WeakPolarHBondContact O-CG 3.48Å; L761-L765 PolarHBondContact O-N 3.25Å; A762-L765 PolarHBondContact O-N 3.24Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-A774 HydrophobicContact CB-CB 4.08Å; L765-A774 HydrophobicContact CD2-CB 4.09Å; L765-A774 HydrophobicContact CG-CB 4.48Å; L765-V778 HydrophobicContact CD1-CG1 4.13Å; L765-V779 HydrophobicContact CB-CG2 3.99Å |
| 766 | G | 87.4 | Confident | 83.1 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -79.1 | -10.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A762 | A762-G766 PolarHBondContact O-N 3.36Å |
| 767 | S | 84 | Confident | 82.9 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | trans | -73.3 | 130.4 | -179.8 | 74.1 | 0 | 0 | 0 | 0 | 111.9 | D763 I764 L765 N769 T770 | D763-S767 PolarHBondContact O-N 3.28Å; I764-S767 WeakPolarHBondContact O-CB 3.33Å; I764-S767 PolarHBondContact O-N 2.7Å; I764-S767 PolarHBondContact O-OG 3.38Å; L765-S767 VanDerWaalsContact C-N 3.29Å; S767-N769 PolarHBondContact O-N 3.32Å; S767-T770 PolarHBondContact O-N 3.09Å; S767-T770 PolarHBondContact O-OG1 3.28Å | ||
| 768 | S | 70.7 | Confident | 82.7 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -5.5 | -177.4 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | T770 | S768-T770 VanDerWaalsContact C-N 3.33Š|
| 769 | N | 69.8 | Low | 82.5 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 8.4 | -176.5 | -100.8 | -2.5 | 0 | 0 | 0 | 113.5 | N735 T737 S767 | N735-N769 PolarHBondContact OD1-ND2 3.35Å; N735-N769 VanDerWaalsContact OD1-ND2 3.15Å; T737-N769 HydrophobicContact CG2-CB 3.79Å; T737-N769 PolarHBondContact OG1-O 2.87Å; S767-N769 PolarHBondContact O-N 3.32Å |
| 770 | T | 67.5 | Low | 82.4 | Confident | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -86.2 | 136.5 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | S767 S768 E772 P773 | S767-T770 PolarHBondContact O-N 3.09Å; S767-T770 PolarHBondContact O-OG1 3.28Å; S768-T770 VanDerWaalsContact C-N 3.33Å; T770-E772 PolarHBondContact O-N 2.82Å; T770-P773 VanDerWaalsContact OG1-CA 3.28Å; T770-P773 WeakPolarHBondContact OG1-CA 3.46Å |
| 771 | P | 63.7 | Low | 82.3 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -61.9 | -27 | 176.7 | 24.8 | -33 | 0 | 0 | 0 | 112.9 | T738 | T738-P771 HydrophobicContact CG2-CG 3.98Š|
| 772 | E | 69.7 | Low | 82.2 | Confident | 171 Ų | 171 | 68.8 Ų | 68.8 | 80% | 0.799 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -127.8 | 88.7 | 174.2 | -67.9 | -179.3 | 174.8 | 0 | 0 | 108.8 | T770 A774 | T770-E772 PolarHBondContact O-N 2.82Å; E772-A774 PolarHBondContact O-N 3Å |
| 773 | P | 71 | Confident | 82.3 | Confident | 95 Ų | 95 | 72 Ų | 72 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 130.9 | 178.3 | 24.4 | -31.9 | 0 | 0 | 0 | 110.5 | T770 | T770-P773 VanDerWaalsContact OG1-CA 3.28Å; T770-P773 WeakPolarHBondContact OG1-CA 3.46Å |
| 774 | A | 76.9 | Confident | 82.5 | Confident | 34 Ų | 34 | 73 Ų | 73 | 28% | 0.281 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L765 E772 V778 V779 | L765-A774 HydrophobicContact CB-CB 4.08Å; L765-A774 HydrophobicContact CD2-CB 4.09Å; L765-A774 HydrophobicContact CG-CB 4.48Å; E772-A774 PolarHBondContact O-N 3Å; A774-V778 HydrophobicContact CB-CB 4.44Å; A774-V778 HydrophobicContact CB-CG1 4.49Å; A774-V779 HydrophobicContact CB-CG2 4.41Å |
| 775 | S | 81.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 143.8 | 174 | 65 | 0 | 0 | 0 | 0 | 110.5 | A777 V778 V779 | S775-A777 PolarHBondContact O-N 3.15Å; S775-V778 PolarHBondContact O-N 3.23Å; S775-V778 WeakPolarHBondContact OG-CG2 3.43Å; S775-V779 PolarHBondContact O-N 3.09Å |
| 776 | E | 85 | Confident | 82.8 | Confident | 165 Ų | 165 | 74.2 Ų | 74.2 | 77% | 0.771 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.8 | -32.4 | 177.1 | -170.4 | 176.1 | -178.3 | 0 | 0 | 112.5 | V778 V779 T780 | E776-V778 VanDerWaalsContact C-N 3.33Å; E776-V778 PolarHBondContact O-N 2.62Å; E776-V779 PolarHBondContact O-N 3.08Å; E776-T780 HydrophobicContact CG-CG2 4.36Å; E776-T780 WeakPolarHBondContact O-CB 3.37Å; E776-T780 VanDerWaalsContact O-CG2 3.29Å; E776-T780 WeakPolarHBondContact O-CG2 3.41Å; E776-T780 PolarHBondContact O-N 3.03Å; E776-T780 PolarHBondContact O-OG1 3.25Å |
| 777 | A | 88.6 | Confident | 83 | Confident | 67 Ų | 67 | 76 Ų | 76 | 55% | 0.554 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.7 | -34.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S775 T780 R781 | S775-A777 PolarHBondContact O-N 3.15Å; A777-T780 VanDerWaalsContact C-OG1 3.31Å; A777-T780 VanDerWaalsContact CA-OG1 3.25Å; A777-T780 WeakPolarHBondContact CA-OG1 3.17Å; A777-T780 PolarHBondContact O-OG1 2.75Å; A777-R781 VanDerWaalsContact O-CB 3.31Å; A777-R781 WeakPolarHBondContact O-CB 3.21Å; A777-R781 PolarHBondContact O-N 3.17Å; A777-R781 VanDerWaalsContact O-N 3.1Å |
| 778 | V | 88.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 81 Ų | 81 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76.2 | -42.6 | 179.2 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | L765 A774 S775 E776 R781 A782 | L765-V778 HydrophobicContact CD1-CG1 4.13Å; A774-V778 HydrophobicContact CB-CB 4.44Å; A774-V778 HydrophobicContact CB-CG1 4.49Å; S775-V778 PolarHBondContact O-N 3.23Å; S775-V778 WeakPolarHBondContact OG-CG2 3.43Å; E776-V778 VanDerWaalsContact C-N 3.33Å; E776-V778 PolarHBondContact O-N 2.62Å; V778-R781 PolarHBondContact O-N 2.89Å; V778-A782 PolarHBondContact O-N 3.46Å |
| 779 | V | 89 | Confident | 84.3 | Confident | 22 Ų | 22 | 77 Ų | 77 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | A762 L765 A774 S775 E776 R781 A782 L783 | A762-V779 HydrophobicContact CB-CG1 4.38Å; L765-V779 HydrophobicContact CB-CG2 3.99Å; A774-V779 HydrophobicContact CB-CG2 4.41Å; S775-V779 PolarHBondContact O-N 3.09Å; E776-V779 PolarHBondContact O-N 3.08Å; V779-R781 VanDerWaalsContact C-N 3.35Å; V779-R781 PolarHBondContact O-N 3.34Å; V779-A782 PolarHBondContact O-N 3.35Å; V779-L783 HydrophobicContact CG1-CD1 4.24Å; V779-L783 WeakPolarHBondContact O-CG 3.39Å; V779-L783 PolarHBondContact O-N 3.2Å |
| 780 | T | 91.7 | Very high | 85.3 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.9 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | E776 A777 L783 L784 | E776-T780 HydrophobicContact CG-CG2 4.36Å; E776-T780 WeakPolarHBondContact O-CB 3.37Å; E776-T780 VanDerWaalsContact O-CG2 3.29Å; E776-T780 WeakPolarHBondContact O-CG2 3.41Å; E776-T780 PolarHBondContact O-N 3.03Å; E776-T780 PolarHBondContact O-OG1 3.25Å; A777-T780 VanDerWaalsContact C-OG1 3.31Å; A777-T780 VanDerWaalsContact CA-OG1 3.25Å; A777-T780 WeakPolarHBondContact CA-OG1 3.17Å; A777-T780 PolarHBondContact O-OG1 2.75Å; T780-L783 PolarHBondContact O-N 3.18Å; T780-L784 VanDerWaalsContact O-CG 3.31Å; T780-L784 WeakPolarHBondContact O-CG 3.48Å; T780-L784 PolarHBondContact O-N 3.47Å |
| 781 | R | 91.8 | Very high | 86.3 | Confident | 189 Ų | 189 | 82.6 Ų | 82.6 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 174.3 | -174.5 | 175.5 | -179.3 | 169.6 | 0.4 | 112.2 | A777 V778 V779 L783 L784 T785 | A777-R781 VanDerWaalsContact O-CB 3.31Å; A777-R781 WeakPolarHBondContact O-CB 3.21Å; A777-R781 PolarHBondContact O-N 3.17Å; A777-R781 VanDerWaalsContact O-N 3.1Å; V778-R781 PolarHBondContact O-N 2.89Å; V779-R781 VanDerWaalsContact C-N 3.35Å; V779-R781 PolarHBondContact O-N 3.34Å; R781-L783 PolarHBondContact O-N 3.47Å; R781-L784 PolarHBondContact O-N 3.3Å; R781-T785 WeakPolarHBondContact O-CG2 3.44Å; R781-T785 PolarHBondContact O-N 3.48Å; R781-T785 PolarHBondContact O-OG1 3.46Å |
| 782 | A | 90.2 | Very high | 87.5 | Confident | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.033 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W758 A762 V778 V779 T785 A786 | W758-A782 HydrophobicContact CE3-CB 4.01Å; W758-A782 HydrophobicContact CZ3-CB 4.48Å; A762-A782 HydrophobicContact CB-CB 3.93Å; V778-A782 PolarHBondContact O-N 3.46Å; V779-A782 PolarHBondContact O-N 3.35Å; A782-T785 VanDerWaalsContact C-OG1 3.3Å; A782-T785 WeakPolarHBondContact CA-OG1 3.35Å; A782-T785 PolarHBondContact O-N 3.48Å; A782-T785 PolarHBondContact O-OG1 2.99Å; A782-A786 PolarHBondContact O-N 3.18Å |
| 783 | L | 93.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 73.3 Ų | 73.3 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175 | -72.7 | 171.8 | 0 | 0 | 0 | 112.4 | A762 V779 T780 R781 T785 A786 I787 | A762-L783 HydrophobicContact CB-CD2 3.62Å; A762-L783 HydrophobicContact CB-CG 3.69Å; V779-L783 HydrophobicContact CG1-CD1 4.24Å; V779-L783 WeakPolarHBondContact O-CG 3.39Å; V779-L783 PolarHBondContact O-N 3.2Å; T780-L783 PolarHBondContact O-N 3.18Å; R781-L783 PolarHBondContact O-N 3.47Å; L783-T785 VanDerWaalsContact C-N 3.34Å; L783-T785 PolarHBondContact O-N 3.41Å; L783-A786 WeakPolarHBondContact O-CB 3.28Å; L783-A786 PolarHBondContact O-N 3.26Å; L783-A786 VanDerWaalsContact O-N 3.16Å; L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 2.98Å |
| 784 | L | 93.7 | Very high | 89.6 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 55% | 0.55 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.4 | -72.1 | 173.8 | 0 | 0 | 0 | 111.2 | T780 R781 A786 I787 E788 | T780-L784 VanDerWaalsContact O-CG 3.31Å; T780-L784 WeakPolarHBondContact O-CG 3.48Å; T780-L784 PolarHBondContact O-N 3.47Å; R781-L784 PolarHBondContact O-N 3.3Å; L784-A786 VanDerWaalsContact C-N 3.29Å; L784-A786 PolarHBondContact O-N 2.96Å; L784-I787 PolarHBondContact O-N 2.87Å; L784-E788 WeakPolarHBondContact O-CG 3.44Å; L784-E788 PolarHBondContact O-N 3.48Å |
| 785 | T | 91.3 | Very high | 90.3 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 175.1 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | R781 A782 L783 L789 | R781-T785 WeakPolarHBondContact O-CG2 3.44Å; R781-T785 PolarHBondContact O-N 3.48Å; R781-T785 PolarHBondContact O-OG1 3.46Å; A782-T785 VanDerWaalsContact C-OG1 3.3Å; A782-T785 WeakPolarHBondContact CA-OG1 3.35Å; A782-T785 PolarHBondContact O-N 3.48Å; A782-T785 PolarHBondContact O-OG1 2.99Å; L783-T785 VanDerWaalsContact C-N 3.34Å; L783-T785 PolarHBondContact O-N 3.41Å; T785-L789 WeakPolarHBondContact O-CB 3.34Å; T785-L789 VanDerWaalsContact O-CG 3.25Å; T785-L789 WeakPolarHBondContact O-CG 3.37Å; T785-L789 PolarHBondContact O-N 2.99Å |
| 786 | A | 92.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | F755 W758 R759 A782 L783 L784 E788 L789 E790 | F755-A786 HydrophobicContact CB-CB 4.39Å; F755-A786 VanDerWaalsContact CB-O 3.31Å; F755-A786 WeakPolarHBondContact CB-O 3.48Å; W758-A786 HydrophobicContact CB-CB 3.85Å; R759-A786 HydrophobicContact CB-CB 4.21Å; A782-A786 PolarHBondContact O-N 3.18Å; L783-A786 WeakPolarHBondContact O-CB 3.28Å; L783-A786 PolarHBondContact O-N 3.26Å; L783-A786 VanDerWaalsContact O-N 3.16Å; L784-A786 VanDerWaalsContact C-N 3.29Å; L784-A786 PolarHBondContact O-N 2.96Å; A786-E788 VanDerWaalsContact C-N 3.34Å; A786-E788 PolarHBondContact O-N 2.99Å; A786-L789 PolarHBondContact O-N 3.03Å; A786-E790 WeakPolarHBondContact O-CB 3.34Å; A786-E790 PolarHBondContact O-N 3.17Å |
| 787 | I | 92.6 | Very high | 90.9 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 179.3 | -66.3 | 165.2 | 0 | 0 | 0 | 111.4 | L783 L784 Q791 | L783-I787 WeakPolarHBondContact O-CG1 3.4Å; L783-I787 PolarHBondContact O-N 2.98Å; L784-I787 PolarHBondContact O-N 2.87Å; I787-Q791 WeakPolarHBondContact O-CG 3.47Å |
| 788 | E | 90.9 | Very high | 91.1 | Very high | 128 Ų | 128 | 59.8 Ų | 59.8 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 176.2 | -72.6 | 175.9 | 178.7 | 0 | 0 | 111.8 | L784 A786 Q791 | L784-E788 WeakPolarHBondContact O-CG 3.44Å; L784-E788 PolarHBondContact O-N 3.48Å; A786-E788 VanDerWaalsContact C-N 3.34Å; A786-E788 PolarHBondContact O-N 2.99Å; E788-Q791 PolarHBondContact O-N 3.32Å |
| 789 | L | 90.4 | Very high | 91 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 179.5 | -71.9 | 171.6 | 0 | 0 | 0 | 112.5 | F755 W758 T785 A786 Q791 T792 E793 | F755-L789 HydrophobicContact CB-CB 3.86Å; W758-L789 VanDerWaalsContact CD1-CD1 3.4Å; W758-L789 HydrophobicContact CG-CD1 4.38Å; T785-L789 WeakPolarHBondContact O-CB 3.34Å; T785-L789 VanDerWaalsContact O-CG 3.25Å; T785-L789 WeakPolarHBondContact O-CG 3.37Å; T785-L789 PolarHBondContact O-N 2.99Å; A786-L789 PolarHBondContact O-N 3.03Å; L789-Q791 PolarHBondContact O-N 3.11Å; L789-T792 CarbonylContact O-C 3.56Å; L789-T792 PolarHBondContact O-N 3.09Å; L789-T792 PolarHBondContact O-OG1 2.93Å; L789-E793 PolarHBondContact O-N 3.39Å; L789-E793 VanDerWaalsContact O-N 3.08Å |
| 790 | E | 90.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.8 | -34 | 177.6 | -174.1 | 173.7 | -165.3 | 0 | 0 | 111.9 | F755 A786 T792 | F755-E790 HydrophobicContact CB-CB 4.24Å; F755-E790 HydrophobicContact CD2-CB 3.79Å; F755-E790 HydrophobicContact CD2-CG 4Å; F755-E790 HydrophobicContact CE2-CB 4.32Å; F755-E790 HydrophobicContact CE2-CG 4Å; F755-E790 HydrophobicContact CG-CB 3.99Å; F755-E790 HydrophobicContact CG-CG 4.43Å; F755-E790 HydrophobicContact CZ-CG 4.46Å; A786-E790 WeakPolarHBondContact O-CB 3.34Å; A786-E790 PolarHBondContact O-N 3.17Å; E790-T792 PolarHBondContact O-N 3.1Å |
| 791 | Q | 88.7 | Confident | 90.8 | Very high | 127 Ų | 127 | 58.9 Ų | 58.9 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.3 | 178.2 | -64.6 | 176.4 | 29.8 | 0 | 0 | 113.9 | G489 I787 E788 L789 | G489-Q791 VanDerWaalsContact CA-O 3.25Å; G489-Q791 WeakPolarHBondContact CA-O 3.29Å; I787-Q791 WeakPolarHBondContact O-CG 3.47Å; E788-Q791 PolarHBondContact O-N 3.32Å; L789-Q791 PolarHBondContact O-N 3.11Å |
| 792 | T | 90.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 7 | -175.9 | 65 | 0 | 0 | 0 | 0 | 113.3 | R456 L458 L789 E790 P794 | R456-T792 PolarHBondContact NH1-O 2.7Å; R456-T792 VanDerWaalsContact NH1-O 3.15Å; L458-T792 HydrophobicContact CD1-CG2 3.93Å; L789-T792 CarbonylContact O-C 3.56Å; L789-T792 PolarHBondContact O-N 3.09Å; L789-T792 PolarHBondContact O-OG1 2.93Å; E790-T792 PolarHBondContact O-N 3.1Å; T792-P794 WeakPolarHBondContact O-CD 3.25Å |
| 793 | E | 90.9 | Very high | 90.5 | Very high | 52 Ų | 52 | 51 Ų | 51 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | trans | -78.7 | 122.9 | -176.3 | -163.7 | -167.7 | -147.3 | 0 | 0 | 111.2 | A488 G489 F755 L789 | A488-E793 CarbonylContact C-O 3.26Å; A488-E793 WeakPolarHBondContact CA-O 3.44Å; G489-E793 PolarHBondContact N-O 3.25Å; F755-E793 HydrophobicContact CD1-CG 4.41Å; F755-E793 VanDerWaalsContact CD1-OE1 3.28Å; F755-E793 WeakPolarHBondContact CD1-OE1 3.48Å; F755-E793 WeakPolarHBondContact CD1-OE2 3.37Å; F755-E793 VanDerWaalsContact CE1-CD 3.48Å; F755-E793 WeakPolarHBondContact CE1-OE2 3.09Å; L789-E793 PolarHBondContact O-N 3.39Å; L789-E793 VanDerWaalsContact O-N 3.08Å | ||
| 794 | P | 92.9 | Very high | 90 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -81.2 | 161.9 | 171.5 | 34.7 | -38.8 | 0 | 0 | 0 | 110.8 | T792 E796 F798 | T792-P794 WeakPolarHBondContact O-CD 3.25Å; P794-E796 VanDerWaalsContact CB-O 3.29Å; P794-E796 WeakPolarHBondContact CB-O 3.49Å; P794-E796 WeakPolarHBondContact CG-O 3.38Å; P794-E796 PolarHBondContact O-N 3.46Å; P794-F798 HydrophobicContact CB-CE1 3.98Å; P794-F798 HydrophobicContact CB-CE2 4.1Å; P794-F798 HydrophobicContact CB-CZ 3.72Å; P794-F798 HydrophobicContact CG-CD1 4.45Å; P794-F798 HydrophobicContact CG-CD2 3.91Å; P794-F798 HydrophobicContact CG-CE1 4.23Å; P794-F798 HydrophobicContact CG-CE2 3.67Å; P794-F798 HydrophobicContact CG-CG 4.31Å; P794-F798 HydrophobicContact CG-CZ 3.83Å | ||
| 795 | I | 91.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 45 Ų | 45 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -62.3 | -28.2 | 178 | -159.4 | 162.7 | 0 | 0 | 0 | 113.1 | L484 T487 L516 K519 I520 A523 | L484-I795 HydrophobicContact CD2-CG2 3.82Å; T487-I795 HydrophobicContact CG2-CB 4.22Å; T487-I795 HydrophobicContact CG2-CG2 3.86Å; T487-I795 PolarHBondContact OG1-N 3.13Å; T487-I795 VanDerWaalsContact OG1-N 3.08Å; L516-I795 HydrophobicContact CD1-CG2 3.9Å; K519-I795 HydrophobicContact CB-CD1 4.07Å; K519-I795 VanDerWaalsContact O-CD1 3.22Å; K519-I795 WeakPolarHBondContact O-CD1 3.36Å; I520-I795 HydrophobicContact CG1-CD1 4.26Å; I520-I795 HydrophobicContact CG1-CG2 4.32Å; A523-I795 HydrophobicContact CB-CD1 3.68Å |
| 796 | E | 90.7 | Very high | 88.2 | Confident | 31 Ų | 31 | 47 Ų | 47 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -133.2 | 144.5 | 167.5 | -66 | -170.8 | 158.8 | 0 | 0 | 110.1 | Y480 L484 K519 P794 F798 | Y480-E796 PolarHBondContact OH-OE2 3.32Å; L484-E796 HydrophobicContact CD2-CB 3.95Å; K519-E796 HydrophobicContact CD-CG 4.22Å; K519-E796 VanDerWaalsContact CD-OE1 3.28Å; K519-E796 WeakPolarHBondContact CD-OE1 3.44Å; K519-E796 WeakPolarHBondContact CE-OE1 3.38Å; K519-E796 IonicContact NZ-OE1 2.84Å; K519-E796 PolarHBondContact NZ-OE1 3.22Å; P794-E796 VanDerWaalsContact CB-O 3.29Å; P794-E796 WeakPolarHBondContact CB-O 3.49Å; P794-E796 WeakPolarHBondContact CG-O 3.38Å; P794-E796 PolarHBondContact O-N 3.46Å; E796-F798 PolarHBondContact O-N 3.11Å |
| 797 | P | 89.7 | Confident | 86.9 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 31% | 0.305 | 24% | 0.243 | S | C | . | . | trans | -62 | 132.3 | -177.8 | -18.8 | 29.7 | 0 | 0 | 0 | 112.6 | Y799 C800 | P797-Y799 HydrophobicContact CB-CD1 3.7Å; P797-Y799 HydrophobicContact CB-CD2 4.37Å; P797-Y799 HydrophobicContact CB-CE1 3.22Å; P797-Y799 HydrophobicContact CB-CE2 3.96Å; P797-Y799 HydrophobicContact CB-CG 4.26Å; P797-Y799 HydrophobicContact CG-CE1 4.11Å; P797-Y799 HydrophobicContact CG-CE2 4.47Å; P797-Y799 PolarHBondContact O-N 2.73Å; P797-C800 VanDerWaalsContact O-CB 3.32Å; P797-C800 WeakPolarHBondContact O-CB 2.75Å; P797-C800 PolarHBondContact O-N 2.95Å; P797-C800 PolarHBondContact O-SG 3.21Å | ||
| 798 | F | 92.1 | Very high | 85 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -55.8 | -28.7 | -177.3 | -62.8 | -65.2 | 0 | 0 | 0 | 114.6 | A453 T454 R456 L458 L481 L484 L485 A488 P794 E796 C800 L801 | A453-F798 HydrophobicContact CB-CB 4.06Å; A453-F798 HydrophobicContact CB-CD1 3.73Å; A453-F798 HydrophobicContact CB-CD2 3.82Å; A453-F798 HydrophobicContact CB-CE1 4.04Å; A453-F798 HydrophobicContact CB-CE2 4.12Å; A453-F798 HydrophobicContact CB-CG 3.61Å; A453-F798 HydrophobicContact CB-CZ 4.24Å; A453-F798 WeakPolarHBondContact O-CD2 3.27Å; A453-F798 WeakPolarHBondContact O-CE2 3.48Å; T454-F798 HydrophobicContact CG2-CB 3.86Å; R456-F798 VanDerWaalsContact NH1-CE2 3.28Å; L458-F798 HydrophobicContact CD2-CE2 3.9Å; L458-F798 HydrophobicContact CD2-CZ 3.94Å; L481-F798 HydrophobicContact CD1-CD1 3.97Å; L481-F798 HydrophobicContact CD1-CE1 4.4Å; L484-F798 HydrophobicContact CB-CD1 3.95Å; L484-F798 HydrophobicContact CB-CE1 3.64Å; L484-F798 HydrophobicContact CD1-CD1 4.1Å; L485-F798 HydrophobicContact CD2-CE1 3.85Å; L485-F798 HydrophobicContact CD2-CZ 3.84Å; L485-F798 HydrophobicContact CG-CE1 4.04Å; L485-F798 HydrophobicContact CG-CZ 4.46Å; A488-F798 HydrophobicContact CB-CZ 4.43Å; P794-F798 HydrophobicContact CB-CE1 3.98Å; P794-F798 HydrophobicContact CB-CE2 4.1Å; P794-F798 HydrophobicContact CB-CZ 3.72Å; P794-F798 HydrophobicContact CG-CD1 4.45Å; P794-F798 HydrophobicContact CG-CD2 3.91Å; P794-F798 HydrophobicContact CG-CE1 4.23Å; P794-F798 HydrophobicContact CG-CE2 3.67Å; P794-F798 HydrophobicContact CG-CG 4.31Å; P794-F798 HydrophobicContact CG-CZ 3.83Å; E796-F798 PolarHBondContact O-N 3.11Å; F798-C800 PolarHBondContact O-N 3.36Å; F798-L801 WeakPolarHBondContact O-CB 3.34Å; F798-L801 PolarHBondContact O-N 3Å |
| 799 | Y | 87.3 | Confident | 84.7 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 30% | 0.302 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -70.8 | -8.8 | 179.4 | 60.2 | -103.3 | 0 | 0 | 0 | 113.5 | R412 D751 P797 L801 | R412-Y799 PolarHBondContact NH1-O 3.08Å; D751-Y799 PolarHBondContact OD2-OH 3.22Å; P797-Y799 HydrophobicContact CB-CD1 3.7Å; P797-Y799 HydrophobicContact CB-CD2 4.37Å; P797-Y799 HydrophobicContact CB-CE1 3.22Å; P797-Y799 HydrophobicContact CB-CE2 3.96Å; P797-Y799 HydrophobicContact CB-CG 4.26Å; P797-Y799 HydrophobicContact CG-CE1 4.11Å; P797-Y799 HydrophobicContact CG-CE2 4.47Å; P797-Y799 PolarHBondContact O-N 2.73Å; Y799-L801 PolarHBondContact O-N 2.86Å |
| 800 | C | 86.1 | Confident | 84.4 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -68.4 | -22 | 171.7 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | P797 F798 | P797-C800 VanDerWaalsContact O-CB 3.32Å; P797-C800 WeakPolarHBondContact O-CB 2.75Å; P797-C800 PolarHBondContact O-N 2.95Å; P797-C800 PolarHBondContact O-SG 3.21Å; F798-C800 PolarHBondContact O-N 3.36Å |
| 801 | L | 90.2 | Very high | 84.1 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -67.7 | 131.4 | 178.4 | -77.1 | 169.3 | 0 | 0 | 0 | 110.6 | R412 V450 Y480 L481 L484 F798 Y799 L803 | R412-L801 PolarHBondContact NH1-O 3.19Å; R412-L801 PolarHBondContact NH2-O 3.26Å; V450-L801 HydrophobicContact CG1-CB 4.43Å; V450-L801 HydrophobicContact CG2-CB 4.32Å; V450-L801 HydrophobicContact CG2-CD1 4.1Å; Y480-L801 HydrophobicContact CD1-CD2 3.5Å; Y480-L801 HydrophobicContact CD1-CG 4.26Å; Y480-L801 HydrophobicContact CE1-CD2 4.19Å; Y480-L801 HydrophobicContact CG-CD2 3.9Å; L481-L801 HydrophobicContact CB-CD1 3.66Å; L481-L801 HydrophobicContact CD1-CD1 3.58Å; L481-L801 HydrophobicContact CG-CD1 4.15Å; L484-L801 HydrophobicContact CD1-CD1 4.09Å; L484-L801 HydrophobicContact CD1-CG 4.33Å; F798-L801 WeakPolarHBondContact O-CB 3.34Å; F798-L801 PolarHBondContact O-N 3Å; Y799-L801 PolarHBondContact O-N 2.86Å; L801-L803 PolarHBondContact O-N 2.79Å |
| 802 | P | 87.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 131.5 | 178.6 | 28 | -32.8 | 0 | 0 | 0 | 109.2 | Y446 | Y446-P802 WeakPolarHBondContact CE1-O 3.48Å; Y446-P802 PolarHBondContact OH-O 3.41Å |
| 803 | L | 87.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -103.6 | 156.7 | 165.4 | -68.7 | 177.9 | 0 | 0 | 0 | 108.9 | W405 R412 Y446 H447 V450 L801 | W405-L803 WeakPolarHBondContact CZ2-O 3.46Å; W405-L803 PolarHBondContact NE1-O 3.42Å; R412-L803 VanDerWaalsContact NH2-CG 3.3Å; Y446-L803 HydrophobicContact CE1-CD2 4.2Å; H447-L803 HydrophobicContact CB-CD2 4.24Å; V450-L803 HydrophobicContact CB-CD2 3.82Å; V450-L803 HydrophobicContact CG1-CD1 4.4Å; V450-L803 HydrophobicContact CG1-CD2 3.84Å; V450-L803 HydrophobicContact CG1-CG 4.24Å; V450-L803 HydrophobicContact CG2-CD2 4.07Å; L801-L803 PolarHBondContact O-N 2.79Å |
| 804 | G | 82.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 119.2 | 170.4 | 167 | 0 | 0 | 0 | 0 | 0 | 115 | W405 H447 | W405-G804 VanDerWaalsContact CE3-CA 3.46Å; W405-G804 VanDerWaalsContact CZ2-CA 3.46Å; H447-G804 VanDerWaalsContact NE2-CA 3.29Å; H447-G804 WeakPolarHBondContact NE2-CA 3.4Å; H447-G804 PolarHBondContact NE2-N 3.46Å |
| 805 | V | 78.7 | Confident | 82.2 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | trans | -108.7 | 79.1 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 106.3 | S365 R398 L401 L402 C807 | S365-V805 WeakPolarHBondContact CB-O 3.41Å; S365-V805 PolarHBondContact OG-O 3.36Å; R398-V805 VanDerWaalsContact NH2-CG2 3.29Å; L401-V805 HydrophobicContact CD2-CG2 3.7Å; L402-V805 HydrophobicContact CD2-CB 4.22Å; L402-V805 HydrophobicContact CD2-CG2 4.43Å; V805-C807 PolarHBondContact O-N 3.42Å | ||
| 806 | R | 68.6 | Low | 81.5 | Confident | 73 Ų | 73 | 39.3 Ų | 39.3 | 28% | 0.275 | 21% | 0.213 | S | C | . | . | trans | -74.9 | 125.9 | -177.7 | -71.4 | 175.7 | 174.8 | -168.8 | -4.3 | 109.9 | W405 S597 N600 N808 | W405-R806 HydrophobicContact CH2-CG 4.09Å; S597-R806 PolarHBondContact OG-NH1 3.41Å; N600-R806 WeakPolarHBondContact ND2-CD 3.23Å; R806-N808 PolarHBondContact O-N 3.46Å | ||
| 807 | C | 65.1 | Low | 80.8 | Confident | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | trans | -67 | 119.3 | 167.5 | -62 | 0 | 0 | 0 | 0 | 108.9 | I334 F362 S365 L366 H370 V805 | I334-C807 HydrophobicContact CG2-CB 4.31Å; F362-C807 WeakPolarHBondContact CD1-SG 3.29Å; S365-C807 PolarHBondContact OG-N 2.97Å; S365-C807 PolarHBondContact OG-SG 3.34Å; L366-C807 HydrophobicContact CD2-CB 4.4Å; H370-C807 PolarHBondContact NE2-O 3.17Å; V805-C807 PolarHBondContact O-N 3.42Å | ||
| 808 | N | 53.3 | Low | 79.9 | Confident | 130 Ų | 130 | 39.4 Ų | 39.4 | 70% | 0.695 | 21% | 0.211 | S | C | * | . | trans | -98.2 | 0 | 176.5 | -77.9 | -19.1 | 0 | 0 | 0 | 111.9 | R806 | R806-N808 PolarHBondContact O-N 3.46Š|
Retrieved 808 of 808 residues in 434.7 ms
(Link to these results)