| 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 | 67.7 | Low | 81.2 | Confident | 200 Ų | 200 | 75.5 Ų | 75.5 | 99% | 0.985 | 40% | 0.403 | S | S | * | . | 0 | -70.7 | 0 | -84.7 | -162.5 | -87.8 | 0 | 0 | 112.7 | F3 Q4 E5 | M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.33Å; M1-F3 VanDerWaalsContact O-N 3.11Å; M1-Q4 PolarHBondContact O-N 3.26Å; M1-E5 PolarHBondContact O-N 3.43Å | |||
| 2 | L | 80.3 | Confident | 81.3 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.3 | -37.2 | -168.5 | -161.4 | 144.6 | 0 | 0 | 0 | 114.8 | E5 L6 L27 | L2-E5 WeakPolarHBondContact O-CB 3.42Å; L2-E5 PolarHBondContact O-N 3.37Å; L2-L6 HydrophobicContact CD2-CD1 3.58Å; L2-L6 HydrophobicContact CD2-CG 3.88Å; L2-L6 WeakPolarHBondContact O-CG 3.36Å; L2-L6 PolarHBondContact O-N 2.65Å; L2-L27 HydrophobicContact CB-CD1 4.37Å; L2-L27 HydrophobicContact CD2-CD1 3.47Å; L2-L27 VanDerWaalsContact CD2-CD1 3.47Å; L2-L27 HydrophobicContact CG-CD1 4.49Å |
| 3 | F | 82.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 78.2 Ų | 78.2 | 5% | 0.048 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 171.4 | -176.3 | -95.2 | 0 | 0 | 0 | 113 | M1 E5 L6 L7 L24 L27 V28 L33 P34 F43 | M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.33Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.21Å; F3-L6 PolarHBondContact O-N 3.29Å; F3-L7 HydrophobicContact CD1-CD1 3.83Å; F3-L7 HydrophobicContact CD1-CG 4.5Å; F3-L7 HydrophobicContact CE1-CD1 3.47Å; F3-L7 VanDerWaalsContact CE1-CD1 3.47Å; F3-L7 HydrophobicContact CE1-CG 4.38Å; F3-L7 HydrophobicContact CZ-CD1 4.1Å; F3-L7 WeakPolarHBondContact O-CG 3.26Å; F3-L7 PolarHBondContact O-N 3.05Å; F3-L24 HydrophobicContact CD2-CD2 3.99Å; F3-L24 HydrophobicContact CE2-CD2 4.21Å; F3-L27 HydrophobicContact CB-CD2 3.94Å; F3-L27 HydrophobicContact CD2-CD2 3.74Å; F3-L27 HydrophobicContact CG-CD2 4.33Å; F3-V28 HydrophobicContact CE2-CG2 4.19Å; F3-L33 HydrophobicContact CE2-CD1 3.88Å; F3-L33 HydrophobicContact CZ-CD1 3.84Å; F3-P34 HydrophobicContact CD1-CG 3.38Å; F3-P34 HydrophobicContact CE1-CG 3.45Å; F3-P34 VanDerWaalsContact CE1-CG 3.45Å; F3-P34 HydrophobicContact CG-CG 4.04Å; F3-P34 HydrophobicContact CZ-CG 4.16Å; F3-F43 HydrophobicContact CE1-CB 4.04Å; F3-F43 HydrophobicContact CE1-CD2 4.31Å; F3-F43 HydrophobicContact CE1-CG 4.31Å; F3-F43 HydrophobicContact CE2-CD2 4.03Å; F3-F43 HydrophobicContact CE2-CE2 4.08Å; F3-F43 HydrophobicContact CZ-CB 3.83Å; F3-F43 HydrophobicContact CZ-CD1 4.25Å; F3-F43 AromaticContact CZ-CD2 3.42Å; F3-F43 HydrophobicContact CZ-CD2 3.42Å; F3-F43 VanDerWaalsContact CZ-CD2 3.42Å; F3-F43 AromaticContact CZ-CE2 3.91Å; F3-F43 HydrophobicContact CZ-CE2 3.91Å; F3-F43 AromaticContact CZ-CG 3.6Å; F3-F43 HydrophobicContact CZ-CG 3.6Å; F3-F43 HydrophobicContact CZ-CZ 4.48Å |
| 4 | Q | 81.4 | Confident | 82.3 | Confident | 113 Ų | 113 | 75.7 Ų | 75.7 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 175.9 | -73.6 | 177.2 | -16.5 | 0 | 0 | 112.2 | M1 L7 G8 S39 | M1-Q4 PolarHBondContact O-N 3.26Å; Q4-L7 PolarHBondContact O-N 2.89Å; Q4-G8 PolarHBondContact O-N 3.21Å; Q4-S39 PolarHBondContact NE2-OG 3.11Å |
| 5 | E | 83.1 | Confident | 82.7 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.5 | -164.2 | -163.2 | 146.4 | 0 | 0 | 111.9 | M1 L2 F3 G8 K9 | M1-E5 PolarHBondContact O-N 3.43Å; L2-E5 WeakPolarHBondContact O-CB 3.42Å; L2-E5 PolarHBondContact O-N 3.37Å; F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.21Å; E5-G8 PolarHBondContact O-N 3.05Å; E5-K9 WeakPolarHBondContact O-CG 3.35Å; E5-K9 PolarHBondContact O-N 3.22Å; E5-K9 VanDerWaalsContact O-N 3.13Å; E5-K9 VanDerWaalsContact OE1-CE 3.24Å; E5-K9 WeakPolarHBondContact OE1-CE 3.48Å; E5-K9 IonicContact OE1-NZ 3.21Å; E5-K9 PolarHBondContact OE1-NZ 2.86Å |
| 6 | L | 83.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 174.6 | -71.4 | 179.1 | 0 | 0 | 0 | 111.9 | L2 F3 G8 K9 I20 Q23 L24 | L2-L6 HydrophobicContact CD2-CD1 3.58Å; L2-L6 HydrophobicContact CD2-CG 3.88Å; L2-L6 WeakPolarHBondContact O-CG 3.36Å; L2-L6 PolarHBondContact O-N 2.65Å; F3-L6 PolarHBondContact O-N 3.29Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 3.25Å; L6-K9 PolarHBondContact O-N 2.87Å; L6-I20 HydrophobicContact CB-CG2 4.08Å; L6-I20 HydrophobicContact CD2-CG2 4.31Å; L6-I20 WeakPolarHBondContact O-CG2 3.27Å; L6-Q23 HydrophobicContact CD1-CB 3.87Å; L6-Q23 HydrophobicContact CD2-CB 4.24Å; L6-L24 HydrophobicContact CB-CD2 3.7Å; L6-L24 HydrophobicContact CB-CG 4.03Å; L6-L24 HydrophobicContact CD1-CD2 3.85Å; L6-L24 HydrophobicContact CD1-CG 4.05Å; L6-L24 HydrophobicContact CG-CD2 4.45Å |
| 7 | L | 85.2 | Confident | 83.6 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 173.4 | -64.8 | 178.8 | 0 | 0 | 0 | 111.9 | F3 Q4 K9 N10 L24 I42 F43 V46 | F3-L7 HydrophobicContact CD1-CD1 3.83Å; F3-L7 HydrophobicContact CD1-CG 4.5Å; F3-L7 HydrophobicContact CE1-CD1 3.47Å; F3-L7 VanDerWaalsContact CE1-CD1 3.47Å; F3-L7 HydrophobicContact CE1-CG 4.38Å; F3-L7 HydrophobicContact CZ-CD1 4.1Å; F3-L7 WeakPolarHBondContact O-CG 3.26Å; F3-L7 PolarHBondContact O-N 3.05Å; Q4-L7 PolarHBondContact O-N 2.89Å; L7-K9 VanDerWaalsContact C-N 3.26Å; L7-K9 PolarHBondContact O-N 3.45Å; L7-N10 WeakPolarHBondContact O-CB 3.34Å; L7-N10 PolarHBondContact O-N 3.32Å; L7-L24 HydrophobicContact CD2-CD1 4.03Å; L7-L24 HydrophobicContact CD2-CD2 4.36Å; L7-I42 HydrophobicContact CD1-CG2 4.44Å; L7-F43 HydrophobicContact CD1-CB 4.11Å; L7-F43 HydrophobicContact CD1-CD2 4.47Å; L7-F43 HydrophobicContact CD2-CD2 4.1Å; L7-V46 HydrophobicContact CB-CG2 4.48Å; L7-V46 HydrophobicContact CD2-CB 3.99Å; L7-V46 HydrophobicContact CD2-CG1 3.95Å; L7-V46 HydrophobicContact CD2-CG2 4.05Å |
| 8 | G | 82.7 | Confident | 84.1 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.9 | -22.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q4 E5 L6 N10 | Q4-G8 PolarHBondContact O-N 3.21Å; E5-G8 PolarHBondContact O-N 3.05Å; L6-G8 VanDerWaalsContact C-N 3.33Å; L6-G8 PolarHBondContact O-N 3.25Å; G8-N10 VanDerWaalsContact C-N 3.3Å |
| 9 | K | 83.4 | Confident | 84.4 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -0.4 | 174.6 | -71.6 | 168.1 | -174.6 | 169.4 | 0 | 113.7 | E5 L6 L7 N11 I20 | E5-K9 WeakPolarHBondContact O-CG 3.35Å; E5-K9 PolarHBondContact O-N 3.22Å; E5-K9 VanDerWaalsContact O-N 3.13Å; E5-K9 VanDerWaalsContact OE1-CE 3.24Å; E5-K9 WeakPolarHBondContact OE1-CE 3.48Å; E5-K9 IonicContact OE1-NZ 3.21Å; E5-K9 PolarHBondContact OE1-NZ 2.86Å; L6-K9 PolarHBondContact O-N 2.87Å; L7-K9 VanDerWaalsContact C-N 3.26Å; L7-K9 PolarHBondContact O-N 3.45Å; K9-N11 PolarHBondContact O-N 3.13Å; K9-I20 HydrophobicContact CB-CD1 3.55Å; K9-I20 HydrophobicContact CB-CG1 4.4Å; K9-I20 WeakPolarHBondContact O-CD1 3.1Å |
| 10 | N | 81.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | trans | -58.2 | 117.4 | 179.7 | 178.2 | 33.3 | 0 | 0 | 0 | 111.8 | L7 G8 V46 Q49 W50 | L7-N10 WeakPolarHBondContact O-CB 3.34Å; L7-N10 PolarHBondContact O-N 3.32Å; G8-N10 VanDerWaalsContact C-N 3.3Å; N10-V46 HydrophobicContact CB-CG1 4.28Å; N10-Q49 PolarHBondContact ND2-OE1 3.18Å; N10-W50 PolarHBondContact OD1-NE1 2.97Å | ||
| 11 | N | 82.4 | Confident | 85 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | trans | -120.3 | 175.2 | -177 | -164 | -13.7 | 0 | 0 | 0 | 110.2 | K9 V16 R17 | K9-N11 PolarHBondContact O-N 3.13Å; N11-V16 HydrophobicContact CB-CG1 4.13Å; N11-R17 PolarHBondContact O-NE 3.37Å; N11-R17 PolarHBondContact O-NH2 3.39Å; N11-R17 VanDerWaalsContact O-NH2 3.09Å | ||
| 12 | T | 82.6 | Confident | 86.1 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 73% | 0.73 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -79.2 | -22.1 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | P14 | T12-P14 VanDerWaalsContact O-CD 3.28Å; T12-P14 WeakPolarHBondContact O-CD 3.05Å |
| 13 | D | 87.5 | Confident | 86.6 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | trans | -67.1 | 118.5 | 177.8 | -175.2 | -8.9 | 0 | 0 | 0 | 111.3 | K15 V16 R17 | D13-K15 PolarHBondContact O-N 3.44Å; D13-K15 WeakPolarHBondContact OD1-CB 3.28Å; D13-K15 PolarHBondContact OD1-N 3.3Å; D13-V16 HydrophobicContact CB-CB 4.26Å; D13-V16 HydrophobicContact CB-CG2 3.99Å; D13-V16 PolarHBondContact O-N 3.36Å; D13-R17 PolarHBondContact O-N 3.45Å; D13-R17 VanDerWaalsContact O-N 3.09Å | ||
| 14 | P | 87.9 | Confident | 87 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 29% | 0.286 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -24.1 | 177.2 | -22.5 | 34.1 | 0 | 0 | 0 | 114.7 | T12 L18 N55 V58 | T12-P14 VanDerWaalsContact O-CD 3.28Å; T12-P14 WeakPolarHBondContact O-CD 3.05Å; P14-L18 VanDerWaalsContact O-CG 3.27Å; P14-L18 WeakPolarHBondContact O-CG 3.2Å; P14-L18 PolarHBondContact O-N 3.05Å; P14-N55 HydrophobicContact CB-CB 3.95Å; P14-N55 WeakPolarHBondContact CB-ND2 3.28Å; P14-N55 HydrophobicContact CG-CB 4.18Å; P14-V58 HydrophobicContact CB-CG2 4.02Å |
| 15 | K | 88.7 | Confident | 87.5 | Confident | 160 Ų | 160 | 59.5 Ų | 59.5 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.1 | -46.9 | 175 | -69.9 | 177.9 | 177.8 | 175.2 | 0 | 111.2 | D13 R17 L18 E19 | D13-K15 PolarHBondContact O-N 3.44Å; D13-K15 WeakPolarHBondContact OD1-CB 3.28Å; D13-K15 PolarHBondContact OD1-N 3.3Å; K15-R17 VanDerWaalsContact C-N 3.33Å; K15-L18 PolarHBondContact O-N 3.16Å; K15-L18 VanDerWaalsContact O-N 3.17Å; K15-E19 PolarHBondContact O-N 3.08Å |
| 16 | V | 89.7 | Confident | 87.7 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.5 | 177 | 0 | 0 | 0 | 0 | 110 | N11 D13 L18 E19 I20 | N11-V16 HydrophobicContact CB-CG1 4.13Å; D13-V16 HydrophobicContact CB-CB 4.26Å; D13-V16 HydrophobicContact CB-CG2 3.99Å; D13-V16 PolarHBondContact O-N 3.36Å; V16-L18 PolarHBondContact O-N 3.39Å; V16-E19 PolarHBondContact O-N 3.07Å; V16-I20 HydrophobicContact CG1-CD1 3.57Å; V16-I20 HydrophobicContact CG1-CG1 4.3Å; V16-I20 WeakPolarHBondContact O-CB 3.15Å; V16-I20 VanDerWaalsContact O-CG1 3.29Å; V16-I20 WeakPolarHBondContact O-CG1 3.15Å; V16-I20 PolarHBondContact O-N 2.88Å |
| 17 | R | 91.3 | Very high | 88 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 171.8 | -67.7 | -174.5 | -178.3 | -153.7 | -11.8 | 113 | N11 D13 K15 G21 Q49 W50 V58 | N11-R17 PolarHBondContact O-NE 3.37Å; N11-R17 PolarHBondContact O-NH2 3.39Å; N11-R17 VanDerWaalsContact O-NH2 3.09Å; D13-R17 PolarHBondContact O-N 3.45Å; D13-R17 VanDerWaalsContact O-N 3.09Å; K15-R17 VanDerWaalsContact C-N 3.33Å; R17-G21 WeakPolarHBondContact O-CA 3.32Å; R17-G21 PolarHBondContact O-N 3.35Å; R17-Q49 PolarHBondContact NH1-O 2.97Å; R17-W50 HydrophobicContact CB-CD2 4.34Å; R17-W50 HydrophobicContact CB-CH2 4.13Å; R17-W50 HydrophobicContact CB-CZ2 3.81Å; R17-W50 HydrophobicContact CB-CZ3 4.5Å; R17-W50 HydrophobicContact CG-CD2 4.43Å; R17-W50 HydrophobicContact CG-CZ2 3.9Å; R17-W50 VanDerWaalsContact NH1-CD1 3.34Å; R17-W50 WeakPolarHBondContact O-CH2 3.44Å; R17-W50 WeakPolarHBondContact O-CZ3 3.29Å; R17-V58 HydrophobicContact CB-CG1 4.01Å; R17-V58 HydrophobicContact CB-CG2 4.02Å |
| 18 | L | 91.9 | Very high | 88.1 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176 | -72.3 | 170.8 | 0 | 0 | 0 | 111.2 | P14 K15 V16 G21 H22 K57 V58 L61 | P14-L18 VanDerWaalsContact O-CG 3.27Å; P14-L18 WeakPolarHBondContact O-CG 3.2Å; P14-L18 PolarHBondContact O-N 3.05Å; K15-L18 PolarHBondContact O-N 3.16Å; K15-L18 VanDerWaalsContact O-N 3.17Å; V16-L18 PolarHBondContact O-N 3.39Å; L18-G21 PolarHBondContact O-N 3.47Å; L18-H22 PolarHBondContact O-N 2.84Å; L18-H22 VanDerWaalsContact O-N 3.09Å; L18-H22 PolarHBondContact O-ND1 3.41Å; L18-K57 HydrophobicContact CD1-CB 4.3Å; L18-K57 HydrophobicContact CD1-CD 4.43Å; L18-K57 HydrophobicContact CD2-CB 3.93Å; L18-V58 HydrophobicContact CD2-CG2 4Å; L18-V58 HydrophobicContact CG-CG2 3.9Å; L18-L61 HydrophobicContact CD2-CD2 3.81Å |
| 19 | E | 90 | Very high | 88.3 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -49.2 | -179.8 | -174.2 | 173.1 | -178.9 | 0 | 0 | 112.6 | K15 V16 G21 Q23 | K15-E19 PolarHBondContact O-N 3.08Å; V16-E19 PolarHBondContact O-N 3.07Å; E19-G21 VanDerWaalsContact C-N 3.26Å; E19-G21 PolarHBondContact O-N 2.97Å; E19-Q23 PolarHBondContact O-N 3.2Å |
| 20 | I | 91.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -37 | 173.9 | -65.5 | 168.8 | 0 | 0 | 0 | 110.8 | L6 K9 V16 Q23 L24 W50 | L6-I20 HydrophobicContact CB-CG2 4.08Å; L6-I20 HydrophobicContact CD2-CG2 4.31Å; L6-I20 WeakPolarHBondContact O-CG2 3.27Å; K9-I20 HydrophobicContact CB-CD1 3.55Å; K9-I20 HydrophobicContact CB-CG1 4.4Å; K9-I20 WeakPolarHBondContact O-CD1 3.1Å; V16-I20 HydrophobicContact CG1-CD1 3.57Å; V16-I20 HydrophobicContact CG1-CG1 4.3Å; V16-I20 WeakPolarHBondContact O-CB 3.15Å; V16-I20 VanDerWaalsContact O-CG1 3.29Å; V16-I20 WeakPolarHBondContact O-CG1 3.15Å; V16-I20 PolarHBondContact O-N 2.88Å; I20-Q23 PolarHBondContact O-N 2.85Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.18Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 2.91Å; I20-W50 HydrophobicContact CB-CH2 4.49Å; I20-W50 HydrophobicContact CG2-CH2 4.4Å |
| 21 | G | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R17 L18 E19 L24 L25 I65 | R17-G21 WeakPolarHBondContact O-CA 3.32Å; R17-G21 PolarHBondContact O-N 3.35Å; L18-G21 PolarHBondContact O-N 3.47Å; E19-G21 VanDerWaalsContact C-N 3.26Å; E19-G21 PolarHBondContact O-N 2.97Å; G21-L24 PolarHBondContact O-N 2.98Å; G21-L25 WeakPolarHBondContact O-CB 3.42Å; G21-L25 PolarHBondContact O-N 3.07Å; G21-I65 WeakPolarHBondContact O-CD1 3.46Å |
| 22 | H | 91.4 | Very high | 87.7 | Confident | 102 Ų | 102 | 56 Ų | 56 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 172.6 | -66.8 | 81.5 | 0 | 0 | 0 | 110.2 | L18 L24 L25 D26 | L18-H22 PolarHBondContact O-N 2.84Å; L18-H22 VanDerWaalsContact O-N 3.09Å; L18-H22 PolarHBondContact O-ND1 3.41Å; H22-L24 VanDerWaalsContact C-N 3.32Å; H22-L24 PolarHBondContact O-N 2.78Å; H22-L25 WeakPolarHBondContact O-CB 3.22Å; H22-L25 PolarHBondContact O-N 2.88Å; H22-L25 VanDerWaalsContact O-N 3.12Å; H22-D26 PolarHBondContact O-N 3.46Å |
| 23 | Q | 90.5 | Very high | 87.6 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.4 | -63.3 | 173.9 | 36.3 | 0 | 0 | 112.7 | L6 E19 I20 L27 | L6-Q23 HydrophobicContact CD1-CB 3.87Å; L6-Q23 HydrophobicContact CD2-CB 4.24Å; E19-Q23 PolarHBondContact O-N 3.2Å; I20-Q23 PolarHBondContact O-N 2.85Å; Q23-L27 VanDerWaalsContact O-CB 3.24Å; Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 PolarHBondContact O-N 2.61Å; Q23-L27 VanDerWaalsContact O-N 3.1Å |
| 24 | L | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68 | -41 | 172.2 | -77.7 | 172.7 | 0 | 0 | 0 | 111.8 | F3 L6 L7 I20 G21 H22 L27 V28 M47 W50 I65 | F3-L24 HydrophobicContact CD2-CD2 3.99Å; F3-L24 HydrophobicContact CE2-CD2 4.21Å; L6-L24 HydrophobicContact CB-CD2 3.7Å; L6-L24 HydrophobicContact CB-CG 4.03Å; L6-L24 HydrophobicContact CD1-CD2 3.85Å; L6-L24 HydrophobicContact CD1-CG 4.05Å; L6-L24 HydrophobicContact CG-CD2 4.45Å; L7-L24 HydrophobicContact CD2-CD1 4.03Å; L7-L24 HydrophobicContact CD2-CD2 4.36Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.18Å; I20-L24 WeakPolarHBondContact O-CG 3.43Å; I20-L24 PolarHBondContact O-N 2.91Å; G21-L24 PolarHBondContact O-N 2.98Å; H22-L24 VanDerWaalsContact C-N 3.32Å; H22-L24 PolarHBondContact O-N 2.78Å; L24-L27 PolarHBondContact O-N 2.99Å; L24-V28 WeakPolarHBondContact O-CB 3.33Å; L24-V28 VanDerWaalsContact O-CG2 3.24Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.11Å; L24-M47 HydrophobicContact CD1-CE 4.12Å; L24-W50 HydrophobicContact CD1-CH2 4.32Å; L24-I65 HydrophobicContact CB-CD1 4.26Å |
| 25 | L | 91.3 | Very high | 86.1 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 177.7 | -175.7 | 63.7 | 0 | 0 | 0 | 111 | G21 H22 L27 V28 Q29 L61 E64 I65 S68 | G21-L25 WeakPolarHBondContact O-CB 3.42Å; G21-L25 PolarHBondContact O-N 3.07Å; H22-L25 WeakPolarHBondContact O-CB 3.22Å; H22-L25 PolarHBondContact O-N 2.88Å; H22-L25 VanDerWaalsContact O-N 3.12Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.92Å; L25-V28 PolarHBondContact O-N 3.47Å; L25-Q29 HydrophobicContact CD1-CG 4.28Å; L25-Q29 HydrophobicContact CG-CG 4.47Å; L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 VanDerWaalsContact O-CG 3.27Å; L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 2.84Å; L25-L61 HydrophobicContact CD2-CD1 4.05Å; L25-E64 HydrophobicContact CD1-CG 4.16Å; L25-E64 HydrophobicContact CD2-CG 4.09Å; L25-I65 HydrophobicContact CB-CG1 3.87Å; L25-I65 HydrophobicContact CD1-CB 4.46Å; L25-I65 HydrophobicContact CD1-CG1 3.91Å; L25-I65 HydrophobicContact CG-CG1 4.46Å; L25-S68 WeakPolarHBondContact CD1-OG 3.49Å |
| 26 | D | 88.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 48.6 Ų | 48.6 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 177.3 | -61.6 | -20.3 | 0 | 0 | 0 | 111.3 | H22 S30 | H22-D26 PolarHBondContact O-N 3.46Å; D26-S30 WeakPolarHBondContact O-CB 3.24Å; D26-S30 PolarHBondContact O-N 2.95Å; D26-S30 PolarHBondContact O-OG 2.71Å |
| 27 | L | 88.4 | Confident | 85.2 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -35.2 | 179.7 | -168.3 | 140.1 | 0 | 0 | 0 | 112.6 | L2 F3 Q23 L24 L25 S30 G32 | L2-L27 HydrophobicContact CB-CD1 4.37Å; L2-L27 HydrophobicContact CD2-CD1 3.47Å; L2-L27 VanDerWaalsContact CD2-CD1 3.47Å; L2-L27 HydrophobicContact CG-CD1 4.49Å; F3-L27 HydrophobicContact CB-CD2 3.94Å; F3-L27 HydrophobicContact CD2-CD2 3.74Å; F3-L27 HydrophobicContact CG-CD2 4.33Å; Q23-L27 VanDerWaalsContact O-CB 3.24Å; Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 PolarHBondContact O-N 2.61Å; Q23-L27 VanDerWaalsContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 2.99Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.92Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-OG 3.23Å; L27-G32 VanDerWaalsContact CD2-O 3.24Å; L27-G32 WeakPolarHBondContact CD2-O 3.3Å; L27-G32 VanDerWaalsContact O-CA 3.24Å; L27-G32 WeakPolarHBondContact O-CA 3.24Å; L27-G32 PolarHBondContact O-N 3.03Å |
| 28 | V | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -48.9 | 172.5 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | F3 L24 L25 S30 G31 L33 F43 G69 V72 | F3-V28 HydrophobicContact CE2-CG2 4.19Å; L24-V28 WeakPolarHBondContact O-CB 3.33Å; L24-V28 VanDerWaalsContact O-CG2 3.24Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.11Å; L25-V28 PolarHBondContact O-N 3.47Å; V28-S30 PolarHBondContact O-N 3.17Å; V28-G31 PolarHBondContact O-N 3.04Å; V28-L33 HydrophobicContact CG2-CD1 3.97Å; V28-F43 HydrophobicContact CG2-CZ 4.49Å; V28-G69 VanDerWaalsContact CG1-N 3.32Å; V28-V72 WeakPolarHBondContact O-CG2 3.39Å |
| 29 | Q | 86.1 | Confident | 84.5 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -26.4 | -179.9 | -72.7 | 179.5 | 1.2 | 0 | 0 | 113.5 | L25 G31 S68 T585 | L25-Q29 HydrophobicContact CD1-CG 4.28Å; L25-Q29 HydrophobicContact CG-CG 4.47Å; L25-Q29 WeakPolarHBondContact O-CB 3.47Å; L25-Q29 VanDerWaalsContact O-CG 3.27Å; L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 2.84Å; Q29-G31 VanDerWaalsContact C-N 3.3Å; Q29-S68 PolarHBondContact NE2-OG 3.2Å; Q29-T585 HydrophobicContact CB-CG2 4.08Å; Q29-T585 HydrophobicContact CG-CG2 3.73Å |
| 30 | S | 84.5 | Confident | 84.3 | Confident | 96 Ų | 96 | 47 Ų | 47 | 67% | 0.671 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 8.3 | 173 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | D26 L27 V28 | D26-S30 WeakPolarHBondContact O-CB 3.24Å; D26-S30 PolarHBondContact O-N 2.95Å; D26-S30 PolarHBondContact O-OG 2.71Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-OG 3.23Å; V28-S30 PolarHBondContact O-N 3.17Å |
| 31 | G | 78.9 | Confident | 84.1 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 3.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V28 Q29 L33 | V28-G31 PolarHBondContact O-N 3.04Å; Q29-G31 VanDerWaalsContact C-N 3.3Å; G31-L33 VanDerWaalsContact C-N 3.25Å; G31-L33 PolarHBondContact O-N 2.85Å; G31-L33 VanDerWaalsContact O-N 3.11Å |
| 32 | G | 72.4 | Confident | 84 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | trans | -80.3 | 22.8 | -171 | 0 | 0 | 0 | 0 | 0 | 116.6 | L27 | L27-G32 VanDerWaalsContact CD2-O 3.24Å; L27-G32 WeakPolarHBondContact CD2-O 3.3Å; L27-G32 VanDerWaalsContact O-CA 3.24Å; L27-G32 WeakPolarHBondContact O-CA 3.24Å; L27-G32 PolarHBondContact O-N 3.03Å | ||
| 33 | L | 79.5 | Confident | 84 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -80.5 | 130.6 | 178.1 | -165.6 | 76.1 | 0 | 0 | 0 | 110.6 | F3 V28 G31 L40 F43 V72 M77 | F3-L33 HydrophobicContact CE2-CD1 3.88Å; F3-L33 HydrophobicContact CZ-CD1 3.84Å; V28-L33 HydrophobicContact CG2-CD1 3.97Å; G31-L33 VanDerWaalsContact C-N 3.25Å; G31-L33 PolarHBondContact O-N 2.85Å; G31-L33 VanDerWaalsContact O-N 3.11Å; L33-L40 HydrophobicContact CD1-CD2 4.42Å; L33-L40 HydrophobicContact CD2-CD2 3.89Å; L33-L40 HydrophobicContact CG-CD2 4.06Å; L33-F43 HydrophobicContact CD1-CD1 4.03Å; L33-F43 HydrophobicContact CD1-CE1 3.63Å; L33-F43 HydrophobicContact CD1-CZ 3.96Å; L33-V72 HydrophobicContact CB-CG1 4.36Å; L33-M77 HydrophobicContact CD2-SD 3.86Å | ||
| 34 | P | 72.6 | Confident | 83.9 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | trans | -66.4 | 139.3 | 172 | -17.6 | 31.2 | 0 | 0 | 0 | 111.4 | F3 D36 L40 | F3-P34 HydrophobicContact CD1-CG 3.38Å; F3-P34 HydrophobicContact CE1-CG 3.45Å; F3-P34 VanDerWaalsContact CE1-CG 3.45Å; F3-P34 HydrophobicContact CG-CG 4.04Å; F3-P34 HydrophobicContact CZ-CG 4.16Å; P34-D36 VanDerWaalsContact CB-OD1 3.26Å; P34-D36 WeakPolarHBondContact CB-OD1 3.49Å; P34-L40 VanDerWaalsContact O-CD2 3.28Å; P34-L40 WeakPolarHBondContact O-CD2 3.23Å; P34-L40 WeakPolarHBondContact O-CG 3.41Å | ||
| 35 | N | 71.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 50.1 Ų | 50.1 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | trans | -95.2 | -4.4 | 177.8 | -70.3 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 36 | D | 79.4 | Confident | 84 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -78.3 | 135.2 | 176.6 | 64.1 | -72.5 | 0 | 0 | 0 | 111.3 | P34 N38 S39 L40 | P34-D36 VanDerWaalsContact CB-OD1 3.26Å; P34-D36 WeakPolarHBondContact CB-OD1 3.49Å; D36-N38 VanDerWaalsContact C-N 3.26Å; D36-N38 PolarHBondContact O-N 3.4Å; D36-S39 VanDerWaalsContact CG-OG 3.3Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 WeakPolarHBondContact OD1-CB 3.44Å; D36-S39 PolarHBondContact OD1-OG 3.44Å; D36-S39 WeakPolarHBondContact OD2-CB 3.28Å; D36-S39 PolarHBondContact OD2-N 2.93Å; D36-S39 PolarHBondContact OD2-OG 3.18Å; D36-L40 PolarHBondContact O-N 2.92Å |
| 37 | A | 79.7 | Confident | 84.2 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L40 T41 | A37-L40 PolarHBondContact O-N 3.47Å; A37-T41 PolarHBondContact O-N 3.39Å; A37-T41 PolarHBondContact O-OG1 3.21Å; A37-T41 VanDerWaalsContact O-OG1 3.05Å |
| 38 | N | 84.5 | Confident | 84.4 | Confident | 125 Ų | 125 | 45.8 Ų | 45.8 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | -178.8 | -68 | -12.1 | 0 | 0 | 0 | 112.5 | D36 L40 T41 I42 | D36-N38 VanDerWaalsContact C-N 3.26Å; D36-N38 PolarHBondContact O-N 3.4Å; N38-L40 VanDerWaalsContact C-N 3.33Å; N38-T41 PolarHBondContact O-N 3.33Å; N38-I42 WeakPolarHBondContact O-CG1 3.38Å; N38-I42 PolarHBondContact O-N 3.44Å |
| 39 | S | 84.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.8 | -31.4 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | Q4 D36 F43 | Q4-S39 PolarHBondContact NE2-OG 3.11Å; D36-S39 VanDerWaalsContact CG-OG 3.3Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 WeakPolarHBondContact OD1-CB 3.44Å; D36-S39 PolarHBondContact OD1-OG 3.44Å; D36-S39 WeakPolarHBondContact OD2-CB 3.28Å; D36-S39 PolarHBondContact OD2-N 2.93Å; D36-S39 PolarHBondContact OD2-OG 3.18Å; S39-F43 VanDerWaalsContact O-CB 3.23Å; S39-F43 WeakPolarHBondContact O-CB 3.39Å; S39-F43 PolarHBondContact O-N 3.21Å |
| 40 | L | 86.2 | Confident | 84.9 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 171.5 | -73.8 | 173.9 | 0 | 0 | 0 | 112.2 | L33 P34 D36 A37 N38 F43 M44 P76 | L33-L40 HydrophobicContact CD1-CD2 4.42Å; L33-L40 HydrophobicContact CD2-CD2 3.89Å; L33-L40 HydrophobicContact CG-CD2 4.06Å; P34-L40 VanDerWaalsContact O-CD2 3.28Å; P34-L40 WeakPolarHBondContact O-CD2 3.23Å; P34-L40 WeakPolarHBondContact O-CG 3.41Å; D36-L40 PolarHBondContact O-N 2.92Å; A37-L40 PolarHBondContact O-N 3.47Å; N38-L40 VanDerWaalsContact C-N 3.33Å; L40-F43 HydrophobicContact CD2-CD1 4.5Å; L40-F43 PolarHBondContact O-N 2.85Å; L40-M44 WeakPolarHBondContact O-CB 3.28Å; L40-M44 VanDerWaalsContact O-CG 3.3Å; L40-M44 WeakPolarHBondContact O-CG 3.39Å; L40-M44 PolarHBondContact O-N 3.44Å; L40-P76 HydrophobicContact CD1-CB 4.18Å |
| 41 | T | 86.7 | Confident | 85.3 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 172.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | A37 N38 F43 M44 D45 | A37-T41 PolarHBondContact O-N 3.39Å; A37-T41 PolarHBondContact O-OG1 3.21Å; A37-T41 VanDerWaalsContact O-OG1 3.05Å; N38-T41 PolarHBondContact O-N 3.33Å; T41-F43 VanDerWaalsContact C-N 3.28Å; T41-F43 PolarHBondContact O-N 3.26Å; T41-M44 WeakPolarHBondContact O-CB 3.45Å; T41-M44 PolarHBondContact O-N 2.91Å; T41-D45 PolarHBondContact O-N 2.83Å |
| 42 | I | 88.7 | Confident | 85.9 | Confident | 93 Ų | 93 | 45.9 Ų | 45.9 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 178.9 | -65.1 | 163.8 | 0 | 0 | 0 | 111.4 | L7 N38 D45 V46 | L7-I42 HydrophobicContact CD1-CG2 4.44Å; N38-I42 WeakPolarHBondContact O-CG1 3.38Å; N38-I42 PolarHBondContact O-N 3.44Å; I42-D45 PolarHBondContact O-N 2.65Å; I42-V46 PolarHBondContact O-N 2.79Å |
| 43 | F | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 173.4 | 170.6 | -124.4 | 0 | 0 | 0 | 112 | F3 L7 V28 L33 S39 L40 T41 V46 M47 I65 L66 M77 | F3-F43 HydrophobicContact CE1-CB 4.04Å; F3-F43 HydrophobicContact CE1-CD2 4.31Å; F3-F43 HydrophobicContact CE1-CG 4.31Å; F3-F43 HydrophobicContact CE2-CD2 4.03Å; F3-F43 HydrophobicContact CE2-CE2 4.08Å; F3-F43 HydrophobicContact CZ-CB 3.83Å; F3-F43 HydrophobicContact CZ-CD1 4.25Å; F3-F43 AromaticContact CZ-CD2 3.42Å; F3-F43 HydrophobicContact CZ-CD2 3.42Å; F3-F43 VanDerWaalsContact CZ-CD2 3.42Å; F3-F43 AromaticContact CZ-CE2 3.91Å; F3-F43 HydrophobicContact CZ-CE2 3.91Å; F3-F43 AromaticContact CZ-CG 3.6Å; F3-F43 HydrophobicContact CZ-CG 3.6Å; F3-F43 HydrophobicContact CZ-CZ 4.48Å; L7-F43 HydrophobicContact CD1-CB 4.11Å; L7-F43 HydrophobicContact CD1-CD2 4.47Å; L7-F43 HydrophobicContact CD2-CD2 4.1Å; V28-F43 HydrophobicContact CG2-CZ 4.49Å; L33-F43 HydrophobicContact CD1-CD1 4.03Å; L33-F43 HydrophobicContact CD1-CE1 3.63Å; L33-F43 HydrophobicContact CD1-CZ 3.96Å; S39-F43 VanDerWaalsContact O-CB 3.23Å; S39-F43 WeakPolarHBondContact O-CB 3.39Å; S39-F43 PolarHBondContact O-N 3.21Å; L40-F43 HydrophobicContact CD2-CD1 4.5Å; L40-F43 PolarHBondContact O-N 2.85Å; T41-F43 VanDerWaalsContact C-N 3.28Å; T41-F43 PolarHBondContact O-N 3.26Å; F43-V46 PolarHBondContact O-N 2.94Å; F43-M47 HydrophobicContact CD2-CE 4.27Å; F43-M47 HydrophobicContact CD2-CG 4.12Å; F43-M47 HydrophobicContact CE2-CE 3.9Å; F43-M47 HydrophobicContact CE2-CG 3.87Å; F43-M47 HydrophobicContact CE2-SD 4.18Å; F43-M47 HydrophobicContact CZ-CG 4.16Å; F43-M47 WeakPolarHBondContact O-CG 2.9Å; F43-M47 PolarHBondContact O-N 3.24Å; F43-I65 HydrophobicContact CE2-CG2 3.81Å; F43-I65 HydrophobicContact CZ-CG2 3.6Å; F43-L66 HydrophobicContact CE1-CD2 4.45Å; F43-M77 HydrophobicContact CD1-CE 4.45Å; F43-M77 HydrophobicContact CE1-CE 3.62Å; F43-M77 HydrophobicContact CE1-SD 4.14Å; F43-M77 HydrophobicContact CZ-CE 4.45Å |
| 44 | M | 90.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.3 | -74.9 | -63.2 | -173.6 | 0 | 0 | 112.5 | L40 T41 V46 M47 V48 L66 M77 C80 L81 | L40-M44 WeakPolarHBondContact O-CB 3.28Å; L40-M44 VanDerWaalsContact O-CG 3.3Å; L40-M44 WeakPolarHBondContact O-CG 3.39Å; L40-M44 PolarHBondContact O-N 3.44Å; T41-M44 WeakPolarHBondContact O-CB 3.45Å; T41-M44 PolarHBondContact O-N 2.91Å; M44-V46 VanDerWaalsContact C-N 3.28Å; M44-V46 PolarHBondContact O-N 2.92Å; M44-M47 CarbonylContact O-C 3.59Å; M44-M47 PolarHBondContact O-N 3.49Å; M44-M47 VanDerWaalsContact O-N 3.12Å; M44-V48 WeakPolarHBondContact O-CB 3.35Å; M44-V48 VanDerWaalsContact O-CG2 3.27Å; M44-V48 WeakPolarHBondContact O-CG2 3.46Å; M44-V48 PolarHBondContact O-N 3.11Å; M44-L66 HydrophobicContact CE-CD2 4.02Å; M44-L66 HydrophobicContact SD-CD2 3.59Å; M44-L66 VanDerWaalsContact SD-CD2 3.59Å; M44-M77 HydrophobicContact CE-CE 3.49Å; M44-M77 VanDerWaalsContact CE-CE 3.49Å; M44-M77 HydrophobicContact CE-CG 3.49Å; M44-M77 VanDerWaalsContact CE-CG 3.49Å; M44-M77 HydrophobicContact CE-SD 4.3Å; M44-M77 HydrophobicContact SD-CE 4.47Å; M44-C80 HydrophobicContact CE-CB 3.92Å; M44-C80 HydrophobicContact CG-CB 3.8Å; M44-L81 HydrophobicContact CE-CB 4.41Å; M44-L81 HydrophobicContact CE-CD2 3.53Å; M44-L81 HydrophobicContact CE-CG 3.53Å; M44-L81 HydrophobicContact SD-CD2 4.23Å |
| 45 | D | 90.4 | Very high | 87.8 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 177.3 | -68.6 | -28.8 | 0 | 0 | 0 | 111.5 | T41 I42 Q49 | T41-D45 PolarHBondContact O-N 2.83Å; I42-D45 PolarHBondContact O-N 2.65Å; D45-Q49 WeakPolarHBondContact O-CB 3.45Å; D45-Q49 PolarHBondContact O-N 2.85Å |
| 46 | V | 92.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 174.6 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | L7 N10 I42 F43 M44 Q49 W50 | L7-V46 HydrophobicContact CB-CG2 4.48Å; L7-V46 HydrophobicContact CD2-CB 3.99Å; L7-V46 HydrophobicContact CD2-CG1 3.95Å; L7-V46 HydrophobicContact CD2-CG2 4.05Å; N10-V46 HydrophobicContact CB-CG1 4.28Å; I42-V46 PolarHBondContact O-N 2.79Å; F43-V46 PolarHBondContact O-N 2.94Å; M44-V46 VanDerWaalsContact C-N 3.28Å; M44-V46 PolarHBondContact O-N 2.92Å; V46-Q49 WeakPolarHBondContact O-CB 3.49Å; V46-Q49 PolarHBondContact O-N 2.81Å; V46-W50 PolarHBondContact O-N 3Å |
| 47 | M | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.5 | -67.7 | -61.8 | 116.2 | 0 | 0 | 112.1 | L24 F43 M44 Q49 W50 L51 A62 I65 L66 | L24-M47 HydrophobicContact CD1-CE 4.12Å; F43-M47 HydrophobicContact CD2-CE 4.27Å; F43-M47 HydrophobicContact CD2-CG 4.12Å; F43-M47 HydrophobicContact CE2-CE 3.9Å; F43-M47 HydrophobicContact CE2-CG 3.87Å; F43-M47 HydrophobicContact CE2-SD 4.18Å; F43-M47 HydrophobicContact CZ-CG 4.16Å; F43-M47 WeakPolarHBondContact O-CG 2.9Å; F43-M47 PolarHBondContact O-N 3.24Å; M44-M47 CarbonylContact O-C 3.59Å; M44-M47 PolarHBondContact O-N 3.49Å; M44-M47 VanDerWaalsContact O-N 3.12Å; M47-Q49 VanDerWaalsContact C-N 3.34Å; M47-Q49 PolarHBondContact O-N 3.27Å; M47-W50 HydrophobicContact CE-CE3 4.34Å; M47-W50 HydrophobicContact CE-CZ3 4.45Å; M47-W50 CarbonylContact O-C 3.34Å; M47-W50 WeakPolarHBondContact O-CA 3.36Å; M47-W50 WeakPolarHBondContact O-CB 3.48Å; M47-W50 PolarHBondContact O-N 3.01Å; M47-L51 WeakPolarHBondContact O-CG 3.35Å; M47-L51 PolarHBondContact O-N 3.37Å; M47-A62 HydrophobicContact SD-CB 4.11Å; M47-I65 HydrophobicContact CE-CD1 4.32Å; M47-I65 HydrophobicContact CE-CG2 4.28Å; M47-I65 HydrophobicContact SD-CB 4.12Å; M47-I65 HydrophobicContact SD-CD1 4.25Å; M47-I65 HydrophobicContact SD-CG2 3.72Å; M47-L66 HydrophobicContact CB-CD1 4.29Å; M47-L66 HydrophobicContact CB-CD2 3.89Å; M47-L66 HydrophobicContact CB-CG 4.22Å; M47-L66 HydrophobicContact CG-CD2 3.77Å; M47-L66 HydrophobicContact CG-CG 4.21Å |
| 48 | V | 92.4 | Very high | 90.1 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | M44 W50 L51 N52 N84 T87 | M44-V48 WeakPolarHBondContact O-CB 3.35Å; M44-V48 VanDerWaalsContact O-CG2 3.27Å; M44-V48 WeakPolarHBondContact O-CG2 3.46Å; M44-V48 PolarHBondContact O-N 3.11Å; V48-W50 PolarHBondContact O-N 2.89Å; V48-L51 PolarHBondContact O-N 3.02Å; V48-N52 WeakPolarHBondContact O-CB 3.32Å; V48-N52 PolarHBondContact O-N 2.85Å; V48-N52 PolarHBondContact O-ND2 3.3Å; V48-N84 HydrophobicContact CG2-CB 4.34Å; V48-N84 WeakPolarHBondContact CG2-OD1 3.26Å; V48-T87 HydrophobicContact CG1-CG2 4.21Å; V48-T87 HydrophobicContact CG2-CG2 4.39Å |
| 49 | Q | 91.2 | Very high | 90.6 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 44% | 0.444 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -22.6 | 174.4 | -157.7 | -155 | 48.8 | 0 | 0 | 113.1 | N10 R17 D45 V46 M47 | N10-Q49 PolarHBondContact ND2-OE1 3.18Å; R17-Q49 PolarHBondContact NH1-O 2.97Å; D45-Q49 WeakPolarHBondContact O-CB 3.45Å; D45-Q49 PolarHBondContact O-N 2.85Å; V46-Q49 WeakPolarHBondContact O-CB 3.49Å; V46-Q49 PolarHBondContact O-N 2.81Å; M47-Q49 VanDerWaalsContact C-N 3.34Å; M47-Q49 PolarHBondContact O-N 3.27Å |
| 50 | W | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.5 | -42.5 | 174.6 | -76.3 | 30.9 | 0 | 0 | 0 | 112 | N10 R17 I20 L24 V46 M47 V48 N52 G53 V58 A62 I65 | N10-W50 PolarHBondContact OD1-NE1 2.97Å; R17-W50 HydrophobicContact CB-CD2 4.34Å; R17-W50 HydrophobicContact CB-CH2 4.13Å; R17-W50 HydrophobicContact CB-CZ2 3.81Å; R17-W50 HydrophobicContact CB-CZ3 4.5Å; R17-W50 HydrophobicContact CG-CD2 4.43Å; R17-W50 HydrophobicContact CG-CZ2 3.9Å; R17-W50 VanDerWaalsContact NH1-CD1 3.34Å; R17-W50 WeakPolarHBondContact O-CH2 3.44Å; R17-W50 WeakPolarHBondContact O-CZ3 3.29Å; I20-W50 HydrophobicContact CB-CH2 4.49Å; I20-W50 HydrophobicContact CG2-CH2 4.4Å; L24-W50 HydrophobicContact CD1-CH2 4.32Å; V46-W50 PolarHBondContact O-N 3Å; M47-W50 HydrophobicContact CE-CE3 4.34Å; M47-W50 HydrophobicContact CE-CZ3 4.45Å; M47-W50 CarbonylContact O-C 3.34Å; M47-W50 WeakPolarHBondContact O-CA 3.36Å; M47-W50 WeakPolarHBondContact O-CB 3.48Å; M47-W50 PolarHBondContact O-N 3.01Å; V48-W50 PolarHBondContact O-N 2.89Å; W50-N52 VanDerWaalsContact C-N 3.33Å; W50-N52 PolarHBondContact O-N 3.26Å; W50-G53 PolarHBondContact O-N 3.1Å; W50-G53 VanDerWaalsContact O-N 3.09Å; W50-V58 HydrophobicContact CB-CG1 3.81Å; W50-V58 HydrophobicContact CD2-CG1 3.74Å; W50-V58 HydrophobicContact CE3-CG1 3.74Å; W50-V58 HydrophobicContact CG-CG1 3.78Å; W50-A62 HydrophobicContact CB-CB 3.89Å; W50-A62 HydrophobicContact CE3-CB 4.34Å; W50-I65 HydrophobicContact CZ3-CD1 4.15Å |
| 51 | L | 93.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.1 | -66.7 | 177.9 | 0 | 0 | 0 | 111.9 | M47 V48 G53 A62 L63 L66 T87 R91 | M47-L51 WeakPolarHBondContact O-CG 3.35Å; M47-L51 PolarHBondContact O-N 3.37Å; V48-L51 PolarHBondContact O-N 3.02Å; L51-G53 PolarHBondContact O-N 2.96Å; L51-A62 HydrophobicContact CD2-CB 3.79Å; L51-A62 HydrophobicContact CG-CB 4.18Å; L51-L63 HydrophobicContact CD2-CD1 4.43Å; L51-L63 HydrophobicContact CD2-CD2 3.64Å; L51-L63 HydrophobicContact CD2-CG 3.58Å; L51-L66 HydrophobicContact CD1-CD1 3.93Å; L51-T87 HydrophobicContact CB-CG2 4.13Å; L51-T87 HydrophobicContact CD1-CG2 4.04Å; L51-R91 HydrophobicContact CB-CG 4.41Å; L51-R91 HydrophobicContact CD2-CG 4.26Å; L51-R91 WeakPolarHBondContact O-CD 3.24Å; L51-R91 PolarHBondContact O-NH1 2.89Å |
| 52 | N | 91.5 | Very high | 91.8 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -1.5 | 176.2 | -71.6 | -33.6 | 0 | 0 | 0 | 113.9 | V48 W50 | V48-N52 WeakPolarHBondContact O-CB 3.32Å; V48-N52 PolarHBondContact O-N 2.85Å; V48-N52 PolarHBondContact O-ND2 3.3Å; W50-N52 VanDerWaalsContact C-N 3.33Å; W50-N52 PolarHBondContact O-N 3.26Å |
| 53 | G | 87.4 | Confident | 92.1 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -72.7 | 159.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W50 L51 | W50-G53 PolarHBondContact O-N 3.1Å; W50-G53 VanDerWaalsContact O-N 3.09Å; L51-G53 PolarHBondContact O-N 2.96Å |
| 54 | T | 86 | Confident | 92.3 | Very high | 154 Ų | 154 | 38.3 Ų | 38.3 | 95% | 0.945 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -81.8 | -10.2 | 178.9 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 55 | N | 91.5 | Very high | 92.4 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | trans | -93.6 | 103.2 | -179 | -169.6 | -35.9 | 0 | 0 | 0 | 111.2 | P14 K57 V58 A59 | P14-N55 HydrophobicContact CB-CB 3.95Å; P14-N55 WeakPolarHBondContact CB-ND2 3.28Å; P14-N55 HydrophobicContact CG-CB 4.18Å; N55-K57 PolarHBondContact O-N 3.32Å; N55-K57 WeakPolarHBondContact OD1-CB 3.32Å; N55-K57 PolarHBondContact OD1-N 2.99Å; N55-V58 HydrophobicContact CB-CB 4.28Å; N55-V58 HydrophobicContact CB-CG2 4.02Å; N55-V58 WeakPolarHBondContact O-CB 3.4Å; N55-V58 PolarHBondContact O-N 3.5Å; N55-A59 PolarHBondContact O-N 3.19Å; N55-A59 VanDerWaalsContact O-N 3.11Å | ||
| 56 | F | 92 | Very high | 92.6 | Very high | 51 Ų | 51 | 33.6 Ų | 33.6 | 22% | 0.224 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.9 | -29 | -179.9 | 80.2 | -85.1 | 0 | 0 | 0 | 114.5 | A59 V60 R96 V99 | F56-A59 PolarHBondContact O-N 2.87Å; F56-V60 WeakPolarHBondContact O-CG2 3.19Å; F56-V60 PolarHBondContact O-N 3.29Å; F56-R96 HydrophobicContact CB-CG 3.88Å; F56-R96 HydrophobicContact CD1-CG 4.48Å; F56-R96 HydrophobicContact CD2-CG 3.96Å; F56-R96 HydrophobicContact CG-CG 3.86Å; F56-V99 HydrophobicContact CB-CG2 3.95Å |
| 57 | K | 93.1 | Very high | 92.6 | Very high | 121 Ų | 121 | 33.4 Ų | 33.4 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.4 | -37 | 177 | -62.9 | -172.4 | 174.5 | -171.6 | 0 | 112 | L18 N55 A59 L61 | L18-K57 HydrophobicContact CD1-CB 4.3Å; L18-K57 HydrophobicContact CD1-CD 4.43Å; L18-K57 HydrophobicContact CD2-CB 3.93Å; N55-K57 PolarHBondContact O-N 3.32Å; N55-K57 WeakPolarHBondContact OD1-CB 3.32Å; N55-K57 PolarHBondContact OD1-N 2.99Å; K57-A59 VanDerWaalsContact C-N 3.35Å; K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 PolarHBondContact O-N 3.19Å |
| 58 | V | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 174.7 | 176 | 0 | 0 | 0 | 0 | 109.8 | P14 R17 L18 W50 N55 L61 A62 | P14-V58 HydrophobicContact CB-CG2 4.02Å; R17-V58 HydrophobicContact CB-CG1 4.01Å; R17-V58 HydrophobicContact CB-CG2 4.02Å; L18-V58 HydrophobicContact CD2-CG2 4Å; L18-V58 HydrophobicContact CG-CG2 3.9Å; W50-V58 HydrophobicContact CB-CG1 3.81Å; W50-V58 HydrophobicContact CD2-CG1 3.74Å; W50-V58 HydrophobicContact CE3-CG1 3.74Å; W50-V58 HydrophobicContact CG-CG1 3.78Å; N55-V58 HydrophobicContact CB-CB 4.28Å; N55-V58 HydrophobicContact CB-CG2 4.02Å; N55-V58 WeakPolarHBondContact O-CB 3.4Å; N55-V58 PolarHBondContact O-N 3.5Å; V58-L61 PolarHBondContact O-N 3.47Å; V58-A62 WeakPolarHBondContact O-CB 3.5Å; V58-A62 PolarHBondContact O-N 2.89Å |
| 59 | A | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | N55 F56 K57 A62 L63 V99 | N55-A59 PolarHBondContact O-N 3.19Å; N55-A59 VanDerWaalsContact O-N 3.11Å; F56-A59 PolarHBondContact O-N 2.87Å; K57-A59 VanDerWaalsContact C-N 3.35Å; A59-A62 PolarHBondContact O-N 3.09Å; A59-L63 WeakPolarHBondContact O-CG 3.44Å; A59-L63 PolarHBondContact O-N 3.01Å; A59-V99 HydrophobicContact CB-CG2 4.46Å |
| 60 | V | 93.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F56 A62 L63 E64 Q98 V99 F102 | F56-V60 WeakPolarHBondContact O-CG2 3.19Å; F56-V60 PolarHBondContact O-N 3.29Å; V60-A62 VanDerWaalsContact C-N 3.33Å; V60-A62 PolarHBondContact O-N 2.94Å; V60-L63 PolarHBondContact O-N 3.16Å; V60-L63 VanDerWaalsContact O-N 3.16Å; V60-E64 PolarHBondContact O-N 2.64Å; V60-Q98 HydrophobicContact CG2-CB 4.24Å; V60-V99 HydrophobicContact CG2-CG2 3.7Å; V60-F102 HydrophobicContact CG1-CD1 4.29Å; V60-F102 HydrophobicContact CG1-CD2 4.17Å; V60-F102 HydrophobicContact CG1-CE1 4.2Å; V60-F102 HydrophobicContact CG1-CE2 4.06Å; V60-F102 HydrophobicContact CG1-CG 4.27Å; V60-F102 HydrophobicContact CG1-CZ 4.07Å |
| 61 | L | 94.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 179.7 | -175.4 | 58.4 | 0 | 0 | 0 | 112 | L18 L25 K57 V58 E64 I65 | L18-L61 HydrophobicContact CD2-CD2 3.81Å; L25-L61 HydrophobicContact CD2-CD1 4.05Å; K57-L61 WeakPolarHBondContact O-CB 3.47Å; K57-L61 PolarHBondContact O-N 3.19Å; V58-L61 PolarHBondContact O-N 3.47Å; L61-E64 PolarHBondContact O-N 3.29Å; L61-I65 HydrophobicContact CD1-CD1 4.4Å; L61-I65 HydrophobicContact CD1-CG1 4.5Å; L61-I65 HydrophobicContact CG-CD1 4.04Å; L61-I65 WeakPolarHBondContact O-CB 3.36Å; L61-I65 WeakPolarHBondContact O-CD1 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.23Å; L61-I65 PolarHBondContact O-N 3.1Å |
| 62 | A | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M47 W50 L51 V58 A59 V60 E64 I65 L66 | M47-A62 HydrophobicContact SD-CB 4.11Å; W50-A62 HydrophobicContact CB-CB 3.89Å; W50-A62 HydrophobicContact CE3-CB 4.34Å; L51-A62 HydrophobicContact CD2-CB 3.79Å; L51-A62 HydrophobicContact CG-CB 4.18Å; V58-A62 WeakPolarHBondContact O-CB 3.5Å; V58-A62 PolarHBondContact O-N 2.89Å; A59-A62 PolarHBondContact O-N 3.09Å; V60-A62 VanDerWaalsContact C-N 3.33Å; V60-A62 PolarHBondContact O-N 2.94Å; A62-E64 VanDerWaalsContact C-N 3.34Å; A62-E64 PolarHBondContact O-N 3.49Å; A62-I65 PolarHBondContact O-N 2.92Å; A62-L66 WeakPolarHBondContact O-CB 3.37Å; A62-L66 VanDerWaalsContact O-CG 3.24Å; A62-L66 WeakPolarHBondContact O-CG 3.46Å; A62-L66 PolarHBondContact O-N 2.94Å |
| 63 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.8 | -67 | 166.7 | 0 | 0 | 0 | 112.2 | L51 A59 V60 L66 S67 I88 V99 F102 A103 L106 | L51-L63 HydrophobicContact CD2-CD1 4.43Å; L51-L63 HydrophobicContact CD2-CD2 3.64Å; L51-L63 HydrophobicContact CD2-CG 3.58Å; A59-L63 WeakPolarHBondContact O-CG 3.44Å; A59-L63 PolarHBondContact O-N 3.01Å; V60-L63 PolarHBondContact O-N 3.16Å; V60-L63 VanDerWaalsContact O-N 3.16Å; L63-L66 PolarHBondContact O-N 3.43Å; L63-S67 VanDerWaalsContact O-CB 3.27Å; L63-S67 WeakPolarHBondContact O-CB 3.4Å; L63-S67 PolarHBondContact O-N 3.15Å; L63-I88 HydrophobicContact CD2-CG2 4.4Å; L63-V99 HydrophobicContact CD1-CG1 4.14Å; L63-V99 WeakPolarHBondContact CD1-O 3.23Å; L63-F102 HydrophobicContact CB-CB 3.86Å; L63-F102 HydrophobicContact CB-CD1 4.44Å; L63-F102 HydrophobicContact CD1-CB 3.77Å; L63-F102 HydrophobicContact CG-CB 4.45Å; L63-A103 HydrophobicContact CD1-CB 4.1Å; L63-A103 HydrophobicContact CD2-CB 4.38Å; L63-L106 HydrophobicContact CD2-CD2 3.8Å |
| 64 | E | 94.3 | Very high | 90 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 176.3 | -167.2 | 166.6 | -160.9 | 0 | 0 | 112.1 | L25 V60 L61 A62 S67 S68 F102 R584 | L25-E64 HydrophobicContact CD1-CG 4.16Å; L25-E64 HydrophobicContact CD2-CG 4.09Å; V60-E64 PolarHBondContact O-N 2.64Å; L61-E64 PolarHBondContact O-N 3.29Å; A62-E64 VanDerWaalsContact C-N 3.34Å; A62-E64 PolarHBondContact O-N 3.49Å; E64-S67 PolarHBondContact O-N 3.34Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.29Å; E64-S68 PolarHBondContact O-OG 2.96Å; E64-F102 HydrophobicContact CB-CD1 4.19Å; E64-F102 HydrophobicContact CB-CE1 3.85Å; E64-F102 HydrophobicContact CG-CE1 4.01Å; E64-R584 IonicContact OE1-NH1 3.81Å; E64-R584 PolarHBondContact OE1-NH1 3.28Å |
| 65 | I | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 171.7 | -70.6 | 163.5 | 0 | 0 | 0 | 110.7 | G21 L24 L25 F43 M47 W50 L61 A62 S67 S68 G69 | G21-I65 WeakPolarHBondContact O-CD1 3.46Å; L24-I65 HydrophobicContact CB-CD1 4.26Å; L25-I65 HydrophobicContact CB-CG1 3.87Å; L25-I65 HydrophobicContact CD1-CB 4.46Å; L25-I65 HydrophobicContact CD1-CG1 3.91Å; L25-I65 HydrophobicContact CG-CG1 4.46Å; F43-I65 HydrophobicContact CE2-CG2 3.81Å; F43-I65 HydrophobicContact CZ-CG2 3.6Å; M47-I65 HydrophobicContact CE-CD1 4.32Å; M47-I65 HydrophobicContact CE-CG2 4.28Å; M47-I65 HydrophobicContact SD-CB 4.12Å; M47-I65 HydrophobicContact SD-CD1 4.25Å; M47-I65 HydrophobicContact SD-CG2 3.72Å; W50-I65 HydrophobicContact CZ3-CD1 4.15Å; L61-I65 HydrophobicContact CD1-CD1 4.4Å; L61-I65 HydrophobicContact CD1-CG1 4.5Å; L61-I65 HydrophobicContact CG-CD1 4.04Å; L61-I65 WeakPolarHBondContact O-CB 3.36Å; L61-I65 WeakPolarHBondContact O-CD1 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.23Å; L61-I65 PolarHBondContact O-N 3.1Å; A62-I65 PolarHBondContact O-N 2.92Å; I65-S67 PolarHBondContact O-N 2.89Å; I65-S68 PolarHBondContact O-N 3.22Å; I65-G69 PolarHBondContact O-N 3.15Å |
| 66 | L | 93.5 | Very high | 88.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.3 | -70.3 | 174.7 | 0 | 0 | 0 | 112.1 | F43 M44 M47 L51 A62 L63 G69 L70 M77 L81 L106 | F43-L66 HydrophobicContact CE1-CD2 4.45Å; M44-L66 HydrophobicContact CE-CD2 4.02Å; M44-L66 HydrophobicContact SD-CD2 3.59Å; M44-L66 VanDerWaalsContact SD-CD2 3.59Å; M47-L66 HydrophobicContact CB-CD1 4.29Å; M47-L66 HydrophobicContact CB-CD2 3.89Å; M47-L66 HydrophobicContact CB-CG 4.22Å; M47-L66 HydrophobicContact CG-CD2 3.77Å; M47-L66 HydrophobicContact CG-CG 4.21Å; L51-L66 HydrophobicContact CD1-CD1 3.93Å; A62-L66 WeakPolarHBondContact O-CB 3.37Å; A62-L66 VanDerWaalsContact O-CG 3.24Å; A62-L66 WeakPolarHBondContact O-CG 3.46Å; A62-L66 PolarHBondContact O-N 2.94Å; L63-L66 PolarHBondContact O-N 3.43Å; L66-G69 PolarHBondContact O-N 2.6Å; L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 PolarHBondContact O-N 3.38Å; L66-M77 HydrophobicContact CB-CE 4.25Å; L66-M77 HydrophobicContact CD2-CE 3.4Å; L66-M77 HydrophobicContact CG-CE 4.42Å; L66-L81 HydrophobicContact CB-CD2 4.43Å; L66-L81 HydrophobicContact CD1-CD2 4.38Å; L66-L81 HydrophobicContact CD2-CD2 4.11Å; L66-L106 HydrophobicContact CB-CD1 4.28Å; L66-L106 HydrophobicContact CB-CD2 3.8Å; L66-L106 HydrophobicContact CD1-CD2 4.06Å |
| 67 | S | 91.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 176 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | L63 E64 I65 K109 | L63-S67 VanDerWaalsContact O-CB 3.27Å; L63-S67 WeakPolarHBondContact O-CB 3.4Å; L63-S67 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-N 3.34Å; I65-S67 PolarHBondContact O-N 2.89Å; S67-K109 PolarHBondContact O-NZ 3.47Å; S67-K109 WeakPolarHBondContact OG-CD 3.43Å; S67-K109 PolarHBondContact OG-NZ 2.81Å |
| 68 | S | 90.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 22 Ų | 22 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.6 | -39.9 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | L25 Q29 E64 I65 L70 D71 V72 | L25-S68 WeakPolarHBondContact CD1-OG 3.49Å; Q29-S68 PolarHBondContact NE2-OG 3.2Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 3.29Å; E64-S68 PolarHBondContact O-OG 2.96Å; I65-S68 PolarHBondContact O-N 3.22Å; S68-L70 VanDerWaalsContact C-N 3.29Å; S68-L70 PolarHBondContact O-N 3.36Å; S68-D71 PolarHBondContact O-N 3.19Å; S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.18Å |
| 69 | G | 88.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -33 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V28 I65 L66 V72 S73 | V28-G69 VanDerWaalsContact CG1-N 3.32Å; I65-G69 PolarHBondContact O-N 3.15Å; L66-G69 PolarHBondContact O-N 2.6Å; G69-V72 PolarHBondContact O-N 3.44Å; G69-S73 VanDerWaalsContact O-CB 3.28Å; G69-S73 WeakPolarHBondContact O-CB 3.33Å; G69-S73 PolarHBondContact O-N 3.17Å; G69-S73 PolarHBondContact O-OG 3.19Å |
| 70 | L | 88.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 173.6 | -179.5 | 56.4 | 0 | 0 | 0 | 111.9 | L66 S68 V72 S73 N74 V78 L81 L106 K109 M110 V113 | L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 PolarHBondContact O-N 3.38Å; S68-L70 VanDerWaalsContact C-N 3.29Å; S68-L70 PolarHBondContact O-N 3.36Å; L70-V72 VanDerWaalsContact C-N 3.3Å; L70-V72 PolarHBondContact O-N 3.25Å; L70-S73 PolarHBondContact O-OG 3.38Å; L70-N74 PolarHBondContact O-N 3.18Å; L70-V78 HydrophobicContact CD1-CG2 3.62Å; L70-L81 HydrophobicContact CB-CD1 4.22Å; L70-L81 HydrophobicContact CD1-CD1 3.89Å; L70-L81 HydrophobicContact CD2-CD1 4.06Å; L70-L81 HydrophobicContact CG-CD1 4.28Å; L70-L106 HydrophobicContact CD2-CD1 4.25Å; L70-K109 HydrophobicContact CD2-CB 4.11Å; L70-K109 HydrophobicContact CD2-CD 4.17Å; L70-K109 HydrophobicContact CD2-CG 4.02Å; L70-M110 HydrophobicContact CD2-CB 4.41Å; L70-M110 HydrophobicContact CD2-CG 3.81Å; L70-V113 HydrophobicContact CD1-CB 4.19Å; L70-V113 HydrophobicContact CD1-CG1 4.11Å; L70-V113 HydrophobicContact CD1-CG2 3.73Å; L70-V113 HydrophobicContact CD2-CG2 4.14Å; L70-V113 HydrophobicContact CG-CG2 3.81Å |
| 71 | D | 86 | Confident | 87.3 | Confident | 85 Ų | 85 | 23.8 Ų | 23.8 | 46% | 0.455 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 176.9 | -69 | -13.9 | 0 | 0 | 0 | 112.2 | S68 K109 | S68-D71 PolarHBondContact O-N 3.19Å; D71-K109 WeakPolarHBondContact OD1-CE 3.43Å; D71-K109 IonicContact OD1-NZ 2.85Å; D71-K109 PolarHBondContact OD1-NZ 3.23Å; D71-K109 IonicContact OD2-NZ 2.65Å; D71-K109 PolarHBondContact OD2-NZ 3.17Å |
| 72 | V | 84.9 | Confident | 87.1 | Confident | 54 Ų | 54 | 24.5 Ų | 24.5 | 33% | 0.327 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -78.9 | -38.9 | -173.4 | 168.7 | 0 | 0 | 0 | 0 | 112.2 | V28 L33 S68 G69 L70 N74 | V28-V72 WeakPolarHBondContact O-CG2 3.39Å; L33-V72 HydrophobicContact CB-CG1 4.36Å; S68-V72 WeakPolarHBondContact O-CG2 3.5Å; S68-V72 PolarHBondContact O-N 3.18Å; G69-V72 PolarHBondContact O-N 3.44Å; L70-V72 VanDerWaalsContact C-N 3.3Å; L70-V72 PolarHBondContact O-N 3.25Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.06Å |
| 73 | S | 79.9 | Confident | 86.9 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.4 | -33 | 177.7 | 72.5 | 0 | 0 | 0 | 0 | 112.3 | G69 L70 G75 P76 M77 | G69-S73 VanDerWaalsContact O-CB 3.28Å; G69-S73 WeakPolarHBondContact O-CB 3.33Å; G69-S73 PolarHBondContact O-N 3.17Å; G69-S73 PolarHBondContact O-OG 3.19Å; L70-S73 PolarHBondContact O-OG 3.38Å; S73-G75 PolarHBondContact O-N 2.91Å; S73-P76 WeakPolarHBondContact O-CD 3.23Å; S73-M77 VanDerWaalsContact OG-CB 3.28Å; S73-M77 WeakPolarHBondContact OG-CB 3.5Å |
| 74 | N | 69.9 | Low | 86.7 | Confident | 118 Ų | 118 | 31.6 Ų | 31.6 | 63% | 0.631 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 58.9 | 26.2 | 179.7 | -148.3 | 14.7 | 0 | 0 | 0 | 114.1 | L70 V72 | L70-N74 PolarHBondContact O-N 3.18Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.06Å |
| 75 | G | 73.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 19% | 0.186 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 150.9 | -57.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S73 M77 V78 | S73-G75 PolarHBondContact O-N 2.91Å; G75-M77 VanDerWaalsContact C-N 3.29Å; G75-M77 PolarHBondContact O-N 3.35Å; G75-M77 VanDerWaalsContact O-N 3.13Å; G75-V78 WeakPolarHBondContact O-CB 3.37Å; G75-V78 WeakPolarHBondContact O-CG2 3.29Å; G75-V78 PolarHBondContact O-N 3.39Å |
| 76 | P | 77.4 | Confident | 86.5 | Confident | 70 Ų | 70 | 32.5 Ų | 32.5 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.4 | -168 | -27.6 | 36.7 | 0 | 0 | 0 | 114.9 | L40 S73 V78 | L40-P76 HydrophobicContact CD1-CB 4.18Å; S73-P76 WeakPolarHBondContact O-CD 3.23Å; P76-V78 VanDerWaalsContact C-N 3.26Å; P76-V78 PolarHBondContact O-N 3.16Å |
| 77 | M | 85.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.7 | -18.6 | 179.8 | -169.6 | 173.5 | 164.3 | 0 | 0 | 113.4 | L33 F43 M44 L66 S73 G75 G79 C80 L81 | L33-M77 HydrophobicContact CD2-SD 3.86Å; F43-M77 HydrophobicContact CD1-CE 4.45Å; F43-M77 HydrophobicContact CE1-CE 3.62Å; F43-M77 HydrophobicContact CE1-SD 4.14Å; F43-M77 HydrophobicContact CZ-CE 4.45Å; M44-M77 HydrophobicContact CE-CE 3.49Å; M44-M77 VanDerWaalsContact CE-CE 3.49Å; M44-M77 HydrophobicContact CE-CG 3.49Å; M44-M77 VanDerWaalsContact CE-CG 3.49Å; M44-M77 HydrophobicContact CE-SD 4.3Å; M44-M77 HydrophobicContact SD-CE 4.47Å; L66-M77 HydrophobicContact CB-CE 4.25Å; L66-M77 HydrophobicContact CD2-CE 3.4Å; L66-M77 HydrophobicContact CG-CE 4.42Å; S73-M77 VanDerWaalsContact OG-CB 3.28Å; S73-M77 WeakPolarHBondContact OG-CB 3.5Å; G75-M77 VanDerWaalsContact C-N 3.29Å; G75-M77 PolarHBondContact O-N 3.35Å; G75-M77 VanDerWaalsContact O-N 3.13Å; M77-G79 VanDerWaalsContact C-N 3.32Å; M77-G79 PolarHBondContact O-N 3.27Å; M77-C80 PolarHBondContact O-N 3.44Å; M77-L81 HydrophobicContact CE-CD1 4.42Å; M77-L81 HydrophobicContact CE-CD2 4.35Å; M77-L81 HydrophobicContact CE-CG 4.43Å; M77-L81 HydrophobicContact CG-CD1 4.32Å; M77-L81 HydrophobicContact CG-CG 4.29Å; M77-L81 WeakPolarHBondContact O-CG 3.35Å; M77-L81 PolarHBondContact O-N 2.95Å |
| 78 | V | 86.7 | Confident | 86.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | -179 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L70 G75 P76 L81 L82 V113 S116 | L70-V78 HydrophobicContact CD1-CG2 3.62Å; G75-V78 WeakPolarHBondContact O-CB 3.37Å; G75-V78 WeakPolarHBondContact O-CG2 3.29Å; G75-V78 PolarHBondContact O-N 3.39Å; P76-V78 VanDerWaalsContact C-N 3.26Å; P76-V78 PolarHBondContact O-N 3.16Å; V78-L81 PolarHBondContact O-N 2.69Å; V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 HydrophobicContact CG1-CG 4.25Å; V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.12Å; V78-V113 HydrophobicContact CG2-CB 3.85Å; V78-V113 HydrophobicContact CG2-CG1 3.49Å; V78-V113 VanDerWaalsContact CG2-CG1 3.49Å; V78-S116 VanDerWaalsContact CG1-CB 3.4Å |
| 79 | G | 86.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -53.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M77 L81 L82 D83 | M77-G79 VanDerWaalsContact C-N 3.32Å; M77-G79 PolarHBondContact O-N 3.27Å; G79-L81 VanDerWaalsContact C-N 3.27Å; G79-L81 PolarHBondContact O-N 2.99Å; G79-L82 WeakPolarHBondContact O-CB 3.47Å; G79-L82 PolarHBondContact O-N 3.07Å; G79-L82 VanDerWaalsContact O-N 3.1Å; G79-D83 PolarHBondContact O-N 2.86Å |
| 80 | C | 87.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -29.1 | 179.2 | -48.2 | 0 | 0 | 0 | 0 | 113 | M44 M77 N84 | M44-C80 HydrophobicContact CE-CB 3.92Å; M44-C80 HydrophobicContact CG-CB 3.8Å; M77-C80 PolarHBondContact O-N 3.44Å; C80-N84 WeakPolarHBondContact O-CB 3.44Å; C80-N84 PolarHBondContact O-N 2.87Å; C80-N84 PolarHBondContact O-ND2 2.82Å |
| 81 | L | 90.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.7 | -39.7 | 171.3 | -76.3 | 174.4 | 0 | 0 | 0 | 112.5 | M44 L66 L70 M77 V78 G79 N84 A85 I88 M110 | M44-L81 HydrophobicContact CE-CB 4.41Å; M44-L81 HydrophobicContact CE-CD2 3.53Å; M44-L81 HydrophobicContact CE-CG 3.53Å; M44-L81 HydrophobicContact SD-CD2 4.23Å; L66-L81 HydrophobicContact CB-CD2 4.43Å; L66-L81 HydrophobicContact CD1-CD2 4.38Å; L66-L81 HydrophobicContact CD2-CD2 4.11Å; L70-L81 HydrophobicContact CB-CD1 4.22Å; L70-L81 HydrophobicContact CD1-CD1 3.89Å; L70-L81 HydrophobicContact CD2-CD1 4.06Å; L70-L81 HydrophobicContact CG-CD1 4.28Å; M77-L81 HydrophobicContact CE-CD1 4.42Å; M77-L81 HydrophobicContact CE-CD2 4.35Å; M77-L81 HydrophobicContact CE-CG 4.43Å; M77-L81 HydrophobicContact CG-CD1 4.32Å; M77-L81 HydrophobicContact CG-CG 4.29Å; M77-L81 WeakPolarHBondContact O-CG 3.35Å; M77-L81 PolarHBondContact O-N 2.95Å; V78-L81 PolarHBondContact O-N 2.69Å; G79-L81 VanDerWaalsContact C-N 3.27Å; G79-L81 PolarHBondContact O-N 2.99Å; L81-N84 CarbonylContact O-C 3.39Å; L81-N84 PolarHBondContact O-N 2.74Å; L81-A85 WeakPolarHBondContact O-CA 3.18Å; L81-A85 PolarHBondContact O-N 3.32Å; L81-I88 HydrophobicContact CD2-CD1 4.06Å; L81-M110 HydrophobicContact CB-CE 3.69Å; L81-M110 HydrophobicContact CB-CG 4.37Å; L81-M110 HydrophobicContact CB-SD 3.93Å; L81-M110 HydrophobicContact CD1-CG 3.9Å; L81-M110 HydrophobicContact CD1-SD 4.24Å |
| 82 | L | 90.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.7 | -77.3 | 170 | 0 | 0 | 0 | 111.5 | V78 G79 N84 A85 M110 V121 R124 | V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 HydrophobicContact CG1-CG 4.25Å; V78-L82 WeakPolarHBondContact O-CB 3.48Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.12Å; G79-L82 WeakPolarHBondContact O-CB 3.47Å; G79-L82 PolarHBondContact O-N 3.07Å; G79-L82 VanDerWaalsContact O-N 3.1Å; L82-N84 VanDerWaalsContact C-N 3.26Å; L82-N84 PolarHBondContact O-N 3.4Å; L82-A85 VanDerWaalsContact O-CB 3.32Å; L82-A85 WeakPolarHBondContact O-CB 3.39Å; L82-A85 PolarHBondContact O-N 3Å; L82-M110 HydrophobicContact CD2-CE 4.06Å; L82-M110 HydrophobicContact CG-CE 4.29Å; L82-V121 HydrophobicContact CD2-CB 4.43Å; L82-V121 HydrophobicContact CD2-CG2 3.8Å; L82-R124 HydrophobicContact CD2-CG 4.48Å |
| 83 | D | 90.2 | Very high | 88 | Confident | 107 Ų | 107 | 31 Ų | 31 | 57% | 0.572 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.3 | -28.1 | 175.5 | -66.7 | -31.9 | 0 | 0 | 0 | 112.4 | G79 R124 | G79-D83 PolarHBondContact O-N 2.86Å; D83-R124 IonicContact OD1-CZ 3.36Å; D83-R124 IonicContact OD1-NH1 3.7Å; D83-R124 IonicContact OD1-NH2 3.61Å; D83-R124 PolarHBondContact OD1-NH2 3.45Å |
| 84 | N | 91.3 | Very high | 88.5 | Confident | 42 Ų | 42 | 31.8 Ų | 31.8 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9.3 | 175.8 | -73.8 | -76.9 | 0 | 0 | 0 | 114.4 | V48 C80 L81 L82 S86 T87 I88 | V48-N84 HydrophobicContact CG2-CB 4.34Å; V48-N84 WeakPolarHBondContact CG2-OD1 3.26Å; C80-N84 WeakPolarHBondContact O-CB 3.44Å; C80-N84 PolarHBondContact O-N 2.87Å; C80-N84 PolarHBondContact O-ND2 2.82Å; L81-N84 CarbonylContact O-C 3.39Å; L81-N84 PolarHBondContact O-N 2.74Å; L82-N84 VanDerWaalsContact C-N 3.26Å; L82-N84 PolarHBondContact O-N 3.4Å; N84-S86 PolarHBondContact O-N 3.14Å; N84-S86 VanDerWaalsContact O-N 3.15Å; N84-T87 WeakPolarHBondContact O-CB 3.38Å; N84-T87 PolarHBondContact O-N 2.84Å; N84-I88 PolarHBondContact O-N 3.16Å |
| 85 | A | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -28.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L81 L82 I88 M89 M110 R124 I125 | L81-A85 WeakPolarHBondContact O-CA 3.18Å; L81-A85 PolarHBondContact O-N 3.32Å; L82-A85 VanDerWaalsContact O-CB 3.32Å; L82-A85 WeakPolarHBondContact O-CB 3.39Å; L82-A85 PolarHBondContact O-N 3Å; A85-I88 PolarHBondContact O-N 3.41Å; A85-M89 WeakPolarHBondContact O-CB 3.3Å; A85-M89 PolarHBondContact O-N 3.41Å; A85-M110 HydrophobicContact CB-CE 4.43Å; A85-R124 HydrophobicContact CB-CB 3.76Å; A85-I125 HydrophobicContact CB-CG2 4.3Å |
| 86 | S | 91 | Very high | 90.1 | Very high | 58 Ų | 58 | 36 Ų | 36 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 172.8 | -172 | 0 | 0 | 0 | 0 | 112.6 | N84 I88 M89 E90 | N84-S86 PolarHBondContact O-N 3.14Å; N84-S86 VanDerWaalsContact O-N 3.15Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.7Å; S86-M89 WeakPolarHBondContact O-CB 3.3Å; S86-M89 PolarHBondContact O-N 3.46Å; S86-E90 PolarHBondContact O-N 3.14Å |
| 87 | T | 92.9 | Very high | 90.5 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | V48 L51 N84 | V48-T87 HydrophobicContact CG1-CG2 4.21Å; V48-T87 HydrophobicContact CG2-CG2 4.39Å; L51-T87 HydrophobicContact CB-CG2 4.13Å; L51-T87 HydrophobicContact CD1-CG2 4.04Å; N84-T87 WeakPolarHBondContact O-CB 3.38Å; N84-T87 PolarHBondContact O-N 2.84Å |
| 88 | I | 94.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.2 | -41.2 | 176.5 | -55.5 | 168.7 | 0 | 0 | 0 | 110.2 | L63 L81 N84 A85 S86 E90 R91 A103 L106 L107 M110 | L63-I88 HydrophobicContact CD2-CG2 4.4Å; L81-I88 HydrophobicContact CD2-CD1 4.06Å; N84-I88 PolarHBondContact O-N 3.16Å; A85-I88 PolarHBondContact O-N 3.41Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.7Å; I88-E90 VanDerWaalsContact C-N 3.32Å; I88-E90 PolarHBondContact O-N 3.04Å; I88-R91 WeakPolarHBondContact O-CA 3.38Å; I88-R91 WeakPolarHBondContact O-CB 3.36Å; I88-R91 PolarHBondContact O-N 3.49Å; I88-A103 HydrophobicContact CG2-CB 4.23Å; I88-L106 HydrophobicContact CD1-CD2 3.78Å; I88-L106 HydrophobicContact CD1-CG 4.31Å; I88-L106 HydrophobicContact CG1-CD2 4.27Å; I88-L106 HydrophobicContact CG2-CD2 4.23Å; I88-L107 HydrophobicContact CB-CD2 4.31Å; I88-L107 HydrophobicContact CG2-CD1 4.23Å; I88-L107 HydrophobicContact CG2-CD2 3.97Å; I88-L107 HydrophobicContact CG2-CG 3.78Å; I88-M110 HydrophobicContact CD1-SD 3.97Å |
| 89 | M | 94.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -41.8 | 173.8 | 178.6 | -168.5 | 70.9 | 0 | 0 | 112.1 | A85 S86 R91 L92 I125 G128 V136 V140 | A85-M89 WeakPolarHBondContact O-CB 3.3Å; A85-M89 PolarHBondContact O-N 3.41Å; S86-M89 WeakPolarHBondContact O-CB 3.3Å; S86-M89 PolarHBondContact O-N 3.46Å; M89-R91 PolarHBondContact O-N 3.25Å; M89-L92 HydrophobicContact CG-CD1 4.38Å; M89-L92 WeakPolarHBondContact O-CB 3.39Å; M89-L92 WeakPolarHBondContact O-CG 3.39Å; M89-L92 PolarHBondContact O-N 3.23Å; M89-I125 HydrophobicContact CB-CB 4.32Å; M89-I125 HydrophobicContact CB-CG2 4.01Å; M89-I125 HydrophobicContact CG-CB 4.24Å; M89-I125 HydrophobicContact CG-CG2 4.48Å; M89-I125 HydrophobicContact SD-CB 4.11Å; M89-I125 VanDerWaalsContact SD-O 3.35Å; M89-G128 WeakPolarHBondContact SD-CA 3.34Å; M89-G128 PolarHBondContact SD-N 3.45Å; M89-G128 VanDerWaalsContact SD-N 3.36Å; M89-V136 HydrophobicContact CG-CG1 3.91Å; M89-V140 HydrophobicContact CG-CG2 4.07Å |
| 90 | E | 94.4 | Very high | 91.1 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -25.2 | 173.7 | -75.8 | -70.7 | 176.1 | 0 | 0 | 113.1 | S86 I88 L92 G93 H131 | S86-E90 PolarHBondContact O-N 3.14Å; I88-E90 VanDerWaalsContact C-N 3.32Å; I88-E90 PolarHBondContact O-N 3.04Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-G93 PolarHBondContact O-N 3.35Å; E90-H131 IonicContact OE1-CE1 2.7Å; E90-H131 IonicContact OE1-NE2 3.6Å; E90-H131 PolarHBondContact OE1-NE2 3.22Å; E90-H131 IonicContact OE2-CE1 3.41Å; E90-H131 PolarHBondContact OE2-CE1 3.01Å |
| 91 | R | 94.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.6 | -18.2 | 175.6 | -59.5 | -52.6 | 78.8 | 177.6 | -6.8 | 113.4 | L51 I88 M89 G93 D94 V99 A103 | L51-R91 HydrophobicContact CB-CG 4.41Å; L51-R91 HydrophobicContact CD2-CG 4.26Å; L51-R91 WeakPolarHBondContact O-CD 3.24Å; L51-R91 PolarHBondContact O-NH1 2.89Å; I88-R91 WeakPolarHBondContact O-CA 3.38Å; I88-R91 WeakPolarHBondContact O-CB 3.36Å; I88-R91 PolarHBondContact O-N 3.49Å; M89-R91 PolarHBondContact O-N 3.25Å; R91-G93 PolarHBondContact O-N 2.9Å; R91-D94 PolarHBondContact O-N 3.18Å; R91-D94 VanDerWaalsContact O-N 3.13Å; R91-V99 HydrophobicContact CB-CG1 3.99Å; R91-A103 HydrophobicContact CB-CB 3.9Å |
| 92 | L | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20 | 165.5 | -54.8 | 173.8 | 0 | 0 | 0 | 111.9 | M89 E90 R100 A103 V104 L107 V140 V143 | M89-L92 HydrophobicContact CG-CD1 4.38Å; M89-L92 WeakPolarHBondContact O-CB 3.39Å; M89-L92 WeakPolarHBondContact O-CG 3.39Å; M89-L92 PolarHBondContact O-N 3.23Å; E90-L92 VanDerWaalsContact C-N 3.35Å; L92-R100 WeakPolarHBondContact O-CD 3.24Å; L92-R100 WeakPolarHBondContact O-CG 3.46Å; L92-A103 HydrophobicContact CD2-CB 3.86Å; L92-A103 HydrophobicContact CG-CB 4.49Å; L92-V104 HydrophobicContact CD2-CB 4.45Å; L92-V104 HydrophobicContact CD2-CG2 3.48Å; L92-V104 VanDerWaalsContact CD2-CG2 3.48Å; L92-L107 HydrophobicContact CD1-CD1 3.92Å; L92-L107 HydrophobicContact CD2-CD1 4.24Å; L92-L107 HydrophobicContact CG-CD1 4.34Å; L92-V140 HydrophobicContact CD1-CG2 3.88Å; L92-V143 HydrophobicContact CD1-CG2 4.46Å |
| 93 | G | 90.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E90 R91 Q133 V136 | E90-G93 PolarHBondContact O-N 3.35Å; R91-G93 PolarHBondContact O-N 2.9Å; G93-Q133 VanDerWaalsContact CA-OE1 3.27Å; G93-Q133 PolarHBondContact O-NE2 3.29Å; G93-Q133 PolarHBondContact O-OE1 2.82Å; G93-V136 VanDerWaalsContact CA-CG2 3.46Å |
| 94 | D | 92.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | trans | -60.4 | 146 | -174.4 | -164.2 | -60.2 | 0 | 0 | 0 | 111.4 | R91 R96 V99 R100 | R91-D94 PolarHBondContact O-N 3.18Å; R91-D94 VanDerWaalsContact O-N 3.13Å; D94-R96 PolarHBondContact O-N 3.01Å; D94-R96 WeakPolarHBondContact OD1-CB 3.4Å; D94-R96 PolarHBondContact OD1-N 3.43Å; D94-V99 HydrophobicContact CB-CB 3.71Å; D94-V99 HydrophobicContact CB-CG1 3.56Å; D94-V99 HydrophobicContact CB-CG2 4.42Å; D94-R100 WeakPolarHBondContact O-CD 3.36Å; D94-R100 WeakPolarHBondContact O-CG 3.27Å; D94-R100 PolarHBondContact O-NH1 3.5Å | ||
| 95 | S | 87.1 | Confident | 91.6 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 66% | 0.664 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -56.5 | -32.9 | 171.9 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | R100 | S95-R100 VanDerWaalsContact C-NH1 3.33Å; S95-R100 PolarHBondContact O-NH1 3.4Å |
| 96 | R | 89.4 | Confident | 91.7 | Very high | 128 Ų | 128 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -87.7 | 119.5 | -175.8 | -63.7 | -68.9 | -177.1 | 169.8 | -1.9 | 110.5 | F56 D94 Q98 V99 R100 | F56-R96 HydrophobicContact CB-CG 3.88Å; F56-R96 HydrophobicContact CD1-CG 4.48Å; F56-R96 HydrophobicContact CD2-CG 3.96Å; F56-R96 HydrophobicContact CG-CG 3.86Å; D94-R96 PolarHBondContact O-N 3.01Å; D94-R96 WeakPolarHBondContact OD1-CB 3.4Å; D94-R96 PolarHBondContact OD1-N 3.43Å; R96-Q98 PolarHBondContact O-N 3.21Å; R96-Q98 VanDerWaalsContact O-N 3.14Å; R96-V99 HydrophobicContact CB-CB 4.47Å; R96-V99 HydrophobicContact CB-CG2 4.08Å; R96-V99 PolarHBondContact O-N 2.89Å; R96-R100 PolarHBondContact O-N 2.64Å |
| 97 | E | 85.6 | Confident | 91.9 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -51.5 | -38 | 174.1 | -176.9 | 71.1 | 167.8 | 0 | 0 | 112.6 | V99 R100 Q101 Y308 | E97-V99 PolarHBondContact O-N 3.39Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 IonicContact OE2-NE 2.66Å; E97-R100 PolarHBondContact OE2-NE 3.44Å; E97-R100 IonicContact OE2-NH2 2.94Å; E97-R100 PolarHBondContact OE2-NH2 3.11Å; E97-Q101 HydrophobicContact CG-CG 4.13Å; E97-Q101 WeakPolarHBondContact O-CB 3.24Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.99Å; E97-Y308 PolarHBondContact OE1-OH 3.03Å |
| 98 | Q | 87.4 | Confident | 91.8 | Very high | 98 Ų | 98 | 37.8 Ų | 37.8 | 46% | 0.458 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.6 | -69.8 | 176.4 | -33.9 | 0 | 0 | 113.1 | V60 R96 Q101 F102 | V60-Q98 HydrophobicContact CG2-CB 4.24Å; R96-Q98 PolarHBondContact O-N 3.21Å; R96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-Q101 PolarHBondContact O-N 3.25Å; Q98-F102 VanDerWaalsContact O-CD2 3.3Å; Q98-F102 WeakPolarHBondContact O-CD2 3.37Å; Q98-F102 PolarHBondContact O-N 3.31Å; Q98-F102 VanDerWaalsContact O-N 3.15Å |
| 99 | V | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 178 | 176.2 | 0 | 0 | 0 | 0 | 110 | F56 A59 V60 L63 R91 D94 R96 E97 A103 | F56-V99 HydrophobicContact CB-CG2 3.95Å; A59-V99 HydrophobicContact CB-CG2 4.46Å; V60-V99 HydrophobicContact CG2-CG2 3.7Å; L63-V99 HydrophobicContact CD1-CG1 4.14Å; L63-V99 WeakPolarHBondContact CD1-O 3.23Å; R91-V99 HydrophobicContact CB-CG1 3.99Å; D94-V99 HydrophobicContact CB-CB 3.71Å; D94-V99 HydrophobicContact CB-CG1 3.56Å; D94-V99 HydrophobicContact CB-CG2 4.42Å; R96-V99 HydrophobicContact CB-CB 4.47Å; R96-V99 HydrophobicContact CB-CG2 4.08Å; R96-V99 PolarHBondContact O-N 2.89Å; E97-V99 PolarHBondContact O-N 3.39Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.04Å |
| 100 | R | 92.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.6 | -59.8 | -167.8 | -67.7 | -103.1 | 9.1 | 112.1 | L92 D94 S95 R96 E97 A103 V104 | L92-R100 WeakPolarHBondContact O-CD 3.24Å; L92-R100 WeakPolarHBondContact O-CG 3.46Å; D94-R100 WeakPolarHBondContact O-CD 3.36Å; D94-R100 WeakPolarHBondContact O-CG 3.27Å; D94-R100 PolarHBondContact O-NH1 3.5Å; S95-R100 VanDerWaalsContact C-NH1 3.33Å; S95-R100 PolarHBondContact O-NH1 3.4Å; R96-R100 PolarHBondContact O-N 2.64Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 IonicContact OE2-NE 2.66Å; E97-R100 PolarHBondContact OE2-NE 3.44Å; E97-R100 IonicContact OE2-NH2 2.94Å; E97-R100 PolarHBondContact OE2-NH2 3.11Å; R100-A103 PolarHBondContact O-N 2.94Å; R100-V104 WeakPolarHBondContact O-CG2 3.46Å; R100-V104 PolarHBondContact O-N 3.38Å |
| 101 | Q | 90.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 179.7 | -76.6 | 176.9 | -22.5 | 0 | 0 | 111.9 | E97 Q98 A103 V104 E105 Y308 S574 | E97-Q101 HydrophobicContact CG-CG 4.13Å; E97-Q101 WeakPolarHBondContact O-CB 3.24Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 2.99Å; Q98-Q101 PolarHBondContact O-N 3.25Å; Q101-A103 VanDerWaalsContact C-N 3.3Å; Q101-A103 PolarHBondContact O-N 3.13Å; Q101-V104 PolarHBondContact O-N 3.22Å; Q101-E105 PolarHBondContact O-N 3.27Å; Q101-Y308 PolarHBondContact NE2-OH 3Å; Q101-Y308 VanDerWaalsContact NE2-OH 3.15Å; Q101-S574 PolarHBondContact NE2-OG 3Å |
| 102 | F | 92.5 | Very high | 90.7 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 23% | 0.232 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | 176.9 | -85.9 | -107.1 | 0 | 0 | 0 | 112.6 | V60 L63 E64 Q98 L106 | V60-F102 HydrophobicContact CG1-CD1 4.29Å; V60-F102 HydrophobicContact CG1-CD2 4.17Å; V60-F102 HydrophobicContact CG1-CE1 4.2Å; V60-F102 HydrophobicContact CG1-CE2 4.06Å; V60-F102 HydrophobicContact CG1-CG 4.27Å; V60-F102 HydrophobicContact CG1-CZ 4.07Å; L63-F102 HydrophobicContact CB-CB 3.86Å; L63-F102 HydrophobicContact CB-CD1 4.44Å; L63-F102 HydrophobicContact CD1-CB 3.77Å; L63-F102 HydrophobicContact CG-CB 4.45Å; E64-F102 HydrophobicContact CB-CD1 4.19Å; E64-F102 HydrophobicContact CB-CE1 3.85Å; E64-F102 HydrophobicContact CG-CE1 4.01Å; Q98-F102 VanDerWaalsContact O-CD2 3.3Å; Q98-F102 WeakPolarHBondContact O-CD2 3.37Å; Q98-F102 PolarHBondContact O-N 3.31Å; Q98-F102 VanDerWaalsContact O-N 3.15Å; F102-L106 WeakPolarHBondContact O-CB 3.49Å; F102-L106 PolarHBondContact O-N 2.72Å |
| 103 | A | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L63 I88 R91 L92 V99 R100 Q101 L107 | L63-A103 HydrophobicContact CD1-CB 4.1Å; L63-A103 HydrophobicContact CD2-CB 4.38Å; I88-A103 HydrophobicContact CG2-CB 4.23Å; R91-A103 HydrophobicContact CB-CB 3.9Å; L92-A103 HydrophobicContact CD2-CB 3.86Å; L92-A103 HydrophobicContact CG-CB 4.49Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 3.04Å; R100-A103 PolarHBondContact O-N 2.94Å; Q101-A103 VanDerWaalsContact C-N 3.3Å; Q101-A103 PolarHBondContact O-N 3.13Å; A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.12Å; A103-L107 VanDerWaalsContact O-N 3.12Å |
| 104 | V | 92.7 | Very high | 89.7 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 171.4 | 171 | 0 | 0 | 0 | 0 | 110.8 | L92 R100 Q101 L107 L108 V143 | L92-V104 HydrophobicContact CD2-CB 4.45Å; L92-V104 HydrophobicContact CD2-CG2 3.48Å; L92-V104 VanDerWaalsContact CD2-CG2 3.48Å; R100-V104 WeakPolarHBondContact O-CG2 3.46Å; R100-V104 PolarHBondContact O-N 3.38Å; Q101-V104 PolarHBondContact O-N 3.22Å; V104-L107 PolarHBondContact O-N 2.68Å; V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3.08Å; V104-V143 HydrophobicContact CB-CG2 4.43Å; V104-V143 HydrophobicContact CG1-CG2 4.19Å; V104-V143 HydrophobicContact CG2-CG2 4.02Å |
| 105 | E | 92 | Very high | 89.1 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 179 | -171.9 | 178.7 | 158.4 | 0 | 0 | 111.6 | Q101 L107 L108 K109 | Q101-E105 PolarHBondContact O-N 3.27Å; E105-L107 PolarHBondContact O-N 3.18Å; E105-L108 PolarHBondContact O-N 3.4Å; E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.42Å; E105-K109 PolarHBondContact O-N 2.81Å |
| 106 | L | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.7 | 179.7 | 58.4 | 0 | 0 | 0 | 112.3 | L63 L66 L70 I88 F102 L108 K109 M110 | L63-L106 HydrophobicContact CD2-CD2 3.8Å; L66-L106 HydrophobicContact CB-CD1 4.28Å; L66-L106 HydrophobicContact CB-CD2 3.8Å; L66-L106 HydrophobicContact CD1-CD2 4.06Å; L70-L106 HydrophobicContact CD2-CD1 4.25Å; I88-L106 HydrophobicContact CD1-CD2 3.78Å; I88-L106 HydrophobicContact CD1-CG 4.31Å; I88-L106 HydrophobicContact CG1-CD2 4.27Å; I88-L106 HydrophobicContact CG2-CD2 4.23Å; F102-L106 WeakPolarHBondContact O-CB 3.49Å; F102-L106 PolarHBondContact O-N 2.72Å; L106-L108 PolarHBondContact O-N 3Å; L106-K109 PolarHBondContact O-N 3.35Å; L106-M110 HydrophobicContact CG-SD 4.41Å; L106-M110 VanDerWaalsContact O-CG 3.32Å; L106-M110 WeakPolarHBondContact O-CG 3.24Å; L106-M110 PolarHBondContact O-N 3.34Å |
| 107 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 178 | -73 | 169.9 | 0 | 0 | 0 | 112.3 | I88 L92 A103 V104 E105 K109 M110 M111 V121 I125 V143 | I88-L107 HydrophobicContact CB-CD2 4.31Å; I88-L107 HydrophobicContact CG2-CD1 4.23Å; I88-L107 HydrophobicContact CG2-CD2 3.97Å; I88-L107 HydrophobicContact CG2-CG 3.78Å; L92-L107 HydrophobicContact CD1-CD1 3.92Å; L92-L107 HydrophobicContact CD2-CD1 4.24Å; L92-L107 HydrophobicContact CG-CD1 4.34Å; A103-L107 WeakPolarHBondContact O-CG 3.49Å; A103-L107 PolarHBondContact O-N 3.12Å; A103-L107 VanDerWaalsContact O-N 3.12Å; V104-L107 PolarHBondContact O-N 2.68Å; E105-L107 PolarHBondContact O-N 3.18Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.09Å; L107-M110 HydrophobicContact CD2-SD 4.29Å; L107-M110 PolarHBondContact O-N 2.62Å; L107-M111 WeakPolarHBondContact O-CG 3.27Å; L107-V121 HydrophobicContact CD2-CG1 4Å; L107-I125 HydrophobicContact CD1-CD1 4.16Å; L107-I125 HydrophobicContact CD1-CG2 4.49Å; L107-I125 HydrophobicContact CD2-CG2 3.97Å; L107-V143 HydrophobicContact CD1-CG2 4.21Å |
| 108 | L | 91.6 | Very high | 89.2 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 177.4 | -69 | 166.6 | 0 | 0 | 0 | 112.5 | V104 E105 L106 M111 V143 Q146 V147 Y151 | V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 HydrophobicContact CG1-CG 4.41Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.38Å; V104-L108 PolarHBondContact O-N 3.08Å; E105-L108 PolarHBondContact O-N 3.4Å; L106-L108 PolarHBondContact O-N 3Å; L108-M111 HydrophobicContact CD2-SD 4.31Å; L108-M111 WeakPolarHBondContact O-CB 3.5Å; L108-M111 PolarHBondContact O-N 3.03Å; L108-V143 HydrophobicContact CD2-CG1 4.35Å; L108-Q146 HydrophobicContact CD1-CB 3.99Å; L108-Q146 HydrophobicContact CD1-CG 3.46Å; L108-Q146 VanDerWaalsContact CD1-CG 3.46Å; L108-Q146 HydrophobicContact CD2-CB 4.12Å; L108-Q146 HydrophobicContact CD2-CG 4.07Å; L108-Q146 HydrophobicContact CG-CG 4.44Å; L108-V147 HydrophobicContact CD2-CG2 3.65Å; L108-Y151 PolarHBondContact O-OH 3.32Å |
| 109 | K | 90 | Very high | 89.4 | Confident | 45 Ų | 45 | 32.2 Ų | 32.2 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.2 | -43.3 | 176.7 | -158.6 | -177 | -142.9 | -165.7 | 0 | 111.6 | S67 L70 D71 E105 L106 L107 M111 G112 | S67-K109 PolarHBondContact O-NZ 3.47Å; S67-K109 WeakPolarHBondContact OG-CD 3.43Å; S67-K109 PolarHBondContact OG-NZ 2.81Å; L70-K109 HydrophobicContact CD2-CB 4.11Å; L70-K109 HydrophobicContact CD2-CD 4.17Å; L70-K109 HydrophobicContact CD2-CG 4.02Å; D71-K109 WeakPolarHBondContact OD1-CE 3.43Å; D71-K109 IonicContact OD1-NZ 2.85Å; D71-K109 PolarHBondContact OD1-NZ 3.23Å; D71-K109 IonicContact OD2-NZ 2.65Å; D71-K109 PolarHBondContact OD2-NZ 3.17Å; E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.42Å; E105-K109 PolarHBondContact O-N 2.81Å; L106-K109 PolarHBondContact O-N 3.35Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.09Å; K109-M111 PolarHBondContact O-N 3.23Å; K109-M111 VanDerWaalsContact O-N 3.16Å; K109-G112 PolarHBondContact O-N 2.93Å |
| 110 | M | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.2 | -36.7 | 173.6 | -74 | 167.6 | 59.3 | 0 | 0 | 112.1 | L70 L81 L82 A85 I88 L106 L107 G112 S116 V121 | L70-M110 HydrophobicContact CD2-CB 4.41Å; L70-M110 HydrophobicContact CD2-CG 3.81Å; L81-M110 HydrophobicContact CB-CE 3.69Å; L81-M110 HydrophobicContact CB-CG 4.37Å; L81-M110 HydrophobicContact CB-SD 3.93Å; L81-M110 HydrophobicContact CD1-CG 3.9Å; L81-M110 HydrophobicContact CD1-SD 4.24Å; L82-M110 HydrophobicContact CD2-CE 4.06Å; L82-M110 HydrophobicContact CG-CE 4.29Å; A85-M110 HydrophobicContact CB-CE 4.43Å; I88-M110 HydrophobicContact CD1-SD 3.97Å; L106-M110 HydrophobicContact CG-SD 4.41Å; L106-M110 VanDerWaalsContact O-CG 3.32Å; L106-M110 WeakPolarHBondContact O-CG 3.24Å; L106-M110 PolarHBondContact O-N 3.34Å; L107-M110 HydrophobicContact CD2-SD 4.29Å; L107-M110 PolarHBondContact O-N 2.62Å; M110-G112 VanDerWaalsContact C-N 3.26Å; M110-G112 PolarHBondContact O-N 2.9Å; M110-S116 WeakPolarHBondContact O-CB 3.44Å; M110-S116 PolarHBondContact O-OG 3.23Å; M110-V121 HydrophobicContact CB-CG2 3.92Å; M110-V121 HydrophobicContact CE-CG1 4.44Å; M110-V121 HydrophobicContact CE-CG2 4.32Å |
| 111 | M | 90 | Very high | 89.3 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.6 | -179.2 | -60.6 | 173.5 | -174.8 | 0 | 0 | 114.5 | L107 L108 K109 P118 V121 V143 V147 Y151 | L107-M111 WeakPolarHBondContact O-CG 3.27Å; L108-M111 HydrophobicContact CD2-SD 4.31Å; L108-M111 WeakPolarHBondContact O-CB 3.5Å; L108-M111 PolarHBondContact O-N 3.03Å; K109-M111 PolarHBondContact O-N 3.23Å; K109-M111 VanDerWaalsContact O-N 3.16Å; M111-P118 HydrophobicContact CB-CB 4.48Å; M111-P118 HydrophobicContact CB-CG 4.11Å; M111-P118 HydrophobicContact CG-CB 4.47Å; M111-P118 HydrophobicContact SD-CB 4.2Å; M111-V121 HydrophobicContact CE-CB 3.77Å; M111-V121 HydrophobicContact CE-CG1 3.56Å; M111-V121 HydrophobicContact CG-CB 3.72Å; M111-V121 HydrophobicContact CG-CG1 4.13Å; M111-V121 HydrophobicContact CG-CG2 3.64Å; M111-V143 HydrophobicContact CE-CG1 3.92Å; M111-V147 HydrophobicContact CE-CG2 3.79Å; M111-V147 HydrophobicContact SD-CG2 3.36Å; M111-V147 WeakPolarHBondContact SD-CG2 3.36Å; M111-Y151 HydrophobicContact CB-CE2 4.21Å; M111-Y151 HydrophobicContact SD-CE2 4.49Å |
| 112 | G | 82.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 54% | 0.536 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K109 M110 Y151 | K109-G112 PolarHBondContact O-N 2.93Å; M110-G112 VanDerWaalsContact C-N 3.26Å; M110-G112 PolarHBondContact O-N 2.9Å; G112-Y151 PolarHBondContact N-OH 2.73Å |
| 113 | V | 84.3 | Confident | 89.3 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -93.4 | 139.8 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 111 | L70 V78 G115 S116 | L70-V113 HydrophobicContact CD1-CB 4.19Å; L70-V113 HydrophobicContact CD1-CG1 4.11Å; L70-V113 HydrophobicContact CD1-CG2 3.73Å; L70-V113 HydrophobicContact CD2-CG2 4.14Å; L70-V113 HydrophobicContact CG-CG2 3.81Å; V78-V113 HydrophobicContact CG2-CB 3.85Å; V78-V113 HydrophobicContact CG2-CG1 3.49Å; V78-V113 VanDerWaalsContact CG2-CG1 3.49Å; V113-G115 PolarHBondContact O-N 3.31Å; V113-S116 PolarHBondContact O-N 3.44Å; V113-S116 VanDerWaalsContact O-N 3.16Å |
| 114 | P | 79.8 | Confident | 89.2 | Confident | 88 Ų | 88 | 37 Ų | 37 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.5 | 174.4 | -27.5 | 35.6 | 0 | 0 | 0 | 112.6 | ||
| 115 | G | 78.9 | Confident | 89.2 | Confident | 79 Ų | 79 | 35.8 Ų | 35.8 | 81% | 0.814 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | -3.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | V113 | V113-G115 PolarHBondContact O-N 3.31Š|
| 116 | S | 86 | Confident | 89.2 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | -122.9 | 168.2 | 171.4 | 155.4 | 0 | 0 | 0 | 0 | 111 | V78 M110 V113 V121 | V78-S116 VanDerWaalsContact CG1-CB 3.4Å; M110-S116 WeakPolarHBondContact O-CB 3.44Å; M110-S116 PolarHBondContact O-OG 3.23Å; V113-S116 PolarHBondContact O-N 3.44Å; V113-S116 VanDerWaalsContact O-N 3.16Å; S116-V121 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 117 | S | 89 | Confident | 89.2 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | trans | -144.1 | 159.4 | 169.9 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | Q119 A120 V121 | S117-Q119 PolarHBondContact O-N 2.87Å; S117-A120 PolarHBondContact O-N 3.1Å; S117-A120 VanDerWaalsContact O-N 3.08Å; S117-A120 WeakPolarHBondContact OG-CB 3.26Å; S117-A120 PolarHBondContact OG-N 3.04Å; S117-V121 PolarHBondContact O-N 3.43Å | ||
| 118 | P | 89.3 | Confident | 89.2 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.1 | -42.7 | 170.7 | -29.2 | 36.3 | 0 | 0 | 0 | 112.8 | M111 F122 V147 Y151 C155 L156 | M111-P118 HydrophobicContact CB-CB 4.48Å; M111-P118 HydrophobicContact CB-CG 4.11Å; M111-P118 HydrophobicContact CG-CB 4.47Å; M111-P118 HydrophobicContact SD-CB 4.2Å; P118-F122 VanDerWaalsContact O-CB 3.23Å; P118-F122 WeakPolarHBondContact O-CB 3.43Å; P118-F122 PolarHBondContact O-N 2.89Å; P118-V147 HydrophobicContact CB-CG1 4.09Å; P118-Y151 HydrophobicContact CG-CD1 4.1Å; P118-Y151 HydrophobicContact CG-CD2 4.29Å; P118-Y151 HydrophobicContact CG-CE1 4.39Å; P118-Y151 HydrophobicContact CG-CG 4.04Å; P118-C155 HydrophobicContact CB-CB 3.92Å; P118-C155 HydrophobicContact CG-CB 3.82Å; P118-L156 HydrophobicContact CB-CD2 4.27Å |
| 119 | Q | 90.8 | Very high | 89.3 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 174.3 | -174 | 63.6 | 46.5 | 0 | 0 | 112.4 | S117 V121 F122 D123 L156 | S117-Q119 PolarHBondContact O-N 2.87Å; Q119-V121 VanDerWaalsContact C-N 3.35Å; Q119-V121 PolarHBondContact O-N 3.28Å; Q119-F122 PolarHBondContact O-N 3.12Å; Q119-F122 VanDerWaalsContact O-N 3.17Å; Q119-D123 PolarHBondContact NE2-OD1 3.07Å; Q119-D123 PolarHBondContact NE2-OD2 3.33Å; Q119-D123 WeakPolarHBondContact O-CB 3.4Å; Q119-D123 PolarHBondContact O-N 3.47Å; Q119-L156 HydrophobicContact CB-CD2 4.45Å |
| 120 | A | 91 | Very high | 89.5 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S117 R124 | S117-A120 PolarHBondContact O-N 3.1Å; S117-A120 VanDerWaalsContact O-N 3.08Å; S117-A120 WeakPolarHBondContact OG-CB 3.26Å; S117-A120 PolarHBondContact OG-N 3.04Å; A120-R124 WeakPolarHBondContact O-CG 3.5Å |
| 121 | V | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L82 L107 M110 M111 S116 S117 Q119 D123 R124 I125 | L82-V121 HydrophobicContact CD2-CB 4.43Å; L82-V121 HydrophobicContact CD2-CG2 3.8Å; L107-V121 HydrophobicContact CD2-CG1 4Å; M110-V121 HydrophobicContact CB-CG2 3.92Å; M110-V121 HydrophobicContact CE-CG1 4.44Å; M110-V121 HydrophobicContact CE-CG2 4.32Å; M111-V121 HydrophobicContact CE-CB 3.77Å; M111-V121 HydrophobicContact CE-CG1 3.56Å; M111-V121 HydrophobicContact CG-CB 3.72Å; M111-V121 HydrophobicContact CG-CG1 4.13Å; M111-V121 HydrophobicContact CG-CG2 3.64Å; S116-V121 WeakPolarHBondContact OG-CG2 3.44Å; S117-V121 PolarHBondContact O-N 3.43Å; Q119-V121 VanDerWaalsContact C-N 3.35Å; Q119-V121 PolarHBondContact O-N 3.28Å; V121-D123 PolarHBondContact O-N 2.85Å; V121-R124 PolarHBondContact O-N 3.4Å; V121-R124 VanDerWaalsContact O-N 3.17Å; V121-I125 PolarHBondContact O-N 3.39Å |
| 122 | F | 91 | Very high | 89.8 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | -177.5 | -153.2 | -87.6 | 0 | 0 | 0 | 112.5 | P118 Q119 R124 I125 C126 V140 L144 L156 L161 | P118-F122 VanDerWaalsContact O-CB 3.23Å; P118-F122 WeakPolarHBondContact O-CB 3.43Å; P118-F122 PolarHBondContact O-N 2.89Å; Q119-F122 PolarHBondContact O-N 3.12Å; Q119-F122 VanDerWaalsContact O-N 3.17Å; F122-R124 PolarHBondContact O-N 3Å; F122-I125 HydrophobicContact CD2-CD1 4.21Å; F122-I125 HydrophobicContact CD2-CG1 4.33Å; F122-I125 HydrophobicContact CE2-CD1 4.44Å; F122-I125 CarbonylContact O-C 3.58Å; F122-I125 PolarHBondContact O-N 3.32Å; F122-I125 VanDerWaalsContact O-N 3.08Å; F122-C126 HydrophobicContact CD1-CB 4.07Å; F122-C126 HydrophobicContact CE1-CB 4.03Å; F122-C126 VanDerWaalsContact O-CB 3.31Å; F122-C126 WeakPolarHBondContact O-CB 3.5Å; F122-C126 PolarHBondContact O-N 2.86Å; F122-V140 HydrophobicContact CE2-CG1 4.23Å; F122-V140 HydrophobicContact CZ-CG1 3.91Å; F122-L144 HydrophobicContact CE2-CB 3.76Å; F122-L144 HydrophobicContact CE2-CD1 4.02Å; F122-L144 HydrophobicContact CE2-CG 4.38Å; F122-L144 HydrophobicContact CZ-CB 3.96Å; F122-L144 HydrophobicContact CZ-CD1 4.11Å; F122-L144 HydrophobicContact CZ-CD2 4.25Å; F122-L144 HydrophobicContact CZ-CG 4.34Å; F122-L156 HydrophobicContact CB-CD2 3.73Å; F122-L156 HydrophobicContact CG-CD2 4.17Å; F122-L161 HydrophobicContact CD1-CD1 3.87Å; F122-L161 HydrophobicContact CD1-CD2 4.02Å; F122-L161 HydrophobicContact CE1-CD1 3.48Å; F122-L161 VanDerWaalsContact CE1-CD1 3.48Å; F122-L161 HydrophobicContact CE1-CD2 3.65Å; F122-L161 HydrophobicContact CE1-CG 4.21Å; F122-L161 HydrophobicContact CZ-CD1 4.09Å |
| 123 | D | 90.6 | Very high | 90.3 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -26.7 | 175 | -74.2 | -31.3 | 0 | 0 | 0 | 112.9 | Q119 V121 C126 | Q119-D123 PolarHBondContact NE2-OD1 3.07Å; Q119-D123 PolarHBondContact NE2-OD2 3.33Å; Q119-D123 WeakPolarHBondContact O-CB 3.4Å; Q119-D123 PolarHBondContact O-N 3.47Å; V121-D123 PolarHBondContact O-N 2.85Å; D123-C126 PolarHBondContact O-SG 2.89Å; D123-C126 VanDerWaalsContact O-SG 3.38Å |
| 124 | R | 92.5 | Very high | 90.7 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -85.1 | -17.2 | 175.9 | -60.4 | -65 | -165.2 | 134.7 | 19.1 | 114.1 | L82 D83 A85 A120 V121 F122 | L82-R124 HydrophobicContact CD2-CG 4.48Å; D83-R124 IonicContact OD1-CZ 3.36Å; D83-R124 IonicContact OD1-NH1 3.7Å; D83-R124 IonicContact OD1-NH2 3.61Å; D83-R124 PolarHBondContact OD1-NH2 3.45Å; A85-R124 HydrophobicContact CB-CB 3.76Å; A120-R124 WeakPolarHBondContact O-CG 3.5Å; V121-R124 PolarHBondContact O-N 3.4Å; V121-R124 VanDerWaalsContact O-N 3.17Å; F122-R124 PolarHBondContact O-N 3Å |
| 125 | I | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -114.5 | -5.1 | -179.6 | 69 | 173.8 | 0 | 0 | 0 | 113.8 | A85 M89 L107 V121 F122 E127 G128 V140 V143 | A85-I125 HydrophobicContact CB-CG2 4.3Å; M89-I125 HydrophobicContact CB-CB 4.32Å; M89-I125 HydrophobicContact CB-CG2 4.01Å; M89-I125 HydrophobicContact CG-CB 4.24Å; M89-I125 HydrophobicContact CG-CG2 4.48Å; M89-I125 HydrophobicContact SD-CB 4.11Å; M89-I125 VanDerWaalsContact SD-O 3.35Å; L107-I125 HydrophobicContact CD1-CD1 4.16Å; L107-I125 HydrophobicContact CD1-CG2 4.49Å; L107-I125 HydrophobicContact CD2-CG2 3.97Å; V121-I125 PolarHBondContact O-N 3.39Å; F122-I125 HydrophobicContact CD2-CD1 4.21Å; F122-I125 HydrophobicContact CD2-CG1 4.33Å; F122-I125 HydrophobicContact CE2-CD1 4.44Å; F122-I125 CarbonylContact O-C 3.58Å; F122-I125 PolarHBondContact O-N 3.32Å; F122-I125 VanDerWaalsContact O-N 3.08Å; I125-E127 PolarHBondContact O-N 3.27Å; I125-G128 PolarHBondContact O-N 3.33Å; I125-V140 HydrophobicContact CG1-CG1 4.48Å; I125-V143 HydrophobicContact CD1-CB 4.46Å; I125-V143 HydrophobicContact CD1-CG1 3.92Å |
| 126 | C | 92.3 | Very high | 92.2 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -63.9 | -28 | -175.5 | 65.5 | 0 | 0 | 0 | 0 | 113 | F122 D123 G128 L129 | F122-C126 HydrophobicContact CD1-CB 4.07Å; F122-C126 HydrophobicContact CE1-CB 4.03Å; F122-C126 VanDerWaalsContact O-CB 3.31Å; F122-C126 WeakPolarHBondContact O-CB 3.5Å; F122-C126 PolarHBondContact O-N 2.86Å; D123-C126 PolarHBondContact O-SG 2.89Å; D123-C126 VanDerWaalsContact O-SG 3.38Å; C126-G128 PolarHBondContact O-N 3.31Å; C126-L129 WeakPolarHBondContact O-CB 3.41Å; C126-L129 WeakPolarHBondContact O-CG 3.27Å; C126-L129 PolarHBondContact O-N 3Å; C126-L129 VanDerWaalsContact O-N 3.11Å |
| 127 | E | 92.3 | Very high | 92.7 | Very high | 140 Ų | 140 | 50.5 Ų | 50.5 | 65% | 0.654 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -59 | -27 | 172.1 | -60.7 | -168 | 159.2 | 0 | 0 | 112.1 | I125 L129 S130 H131 | I125-E127 PolarHBondContact O-N 3.27Å; E127-L129 PolarHBondContact O-N 3.12Å; E127-L129 VanDerWaalsContact O-N 3.12Å; E127-S130 PolarHBondContact O-N 2.85Å; E127-S130 PolarHBondContact O-OG 2.95Å; E127-H131 PolarHBondContact O-N 3.12Å |
| 128 | G | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -60.6 | -20.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M89 I125 C126 S130 H131 | M89-G128 WeakPolarHBondContact SD-CA 3.34Å; M89-G128 PolarHBondContact SD-N 3.45Å; M89-G128 VanDerWaalsContact SD-N 3.36Å; I125-G128 PolarHBondContact O-N 3.33Å; C126-G128 PolarHBondContact O-N 3.31Å; G128-S130 PolarHBondContact O-N 3.27Å; G128-H131 WeakPolarHBondContact O-CB 3.34Å; G128-H131 PolarHBondContact O-N 3.35Å |
| 129 | L | 94.5 | Very high | 93 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -63.4 | -27.9 | 170.4 | -64.7 | 174.9 | 0 | 0 | 0 | 112.3 | C126 E127 R137 V140 M141 I165 L168 | C126-L129 WeakPolarHBondContact O-CB 3.41Å; C126-L129 WeakPolarHBondContact O-CG 3.27Å; C126-L129 PolarHBondContact O-N 3Å; C126-L129 VanDerWaalsContact O-N 3.11Å; E127-L129 PolarHBondContact O-N 3.12Å; E127-L129 VanDerWaalsContact O-N 3.12Å; L129-R137 VanDerWaalsContact O-CD 3.26Å; L129-R137 WeakPolarHBondContact O-CD 3.49Å; L129-V140 HydrophobicContact CD2-CB 4.14Å; L129-V140 HydrophobicContact CD2-CG1 3.78Å; L129-V140 HydrophobicContact CG-CG1 3.89Å; L129-M141 HydrophobicContact CD2-CG 3.76Å; L129-I165 HydrophobicContact CD1-CG1 4.43Å; L129-L168 HydrophobicContact CB-CD1 4.37Å; L129-L168 HydrophobicContact CD2-CD1 3.96Å; L129-L168 WeakPolarHBondContact O-CD2 3.33Å |
| 130 | S | 93.2 | Very high | 93.3 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 66% | 0.657 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -102.3 | 5.7 | 177.1 | 68 | 0 | 0 | 0 | 0 | 113.6 | E127 G128 | E127-S130 PolarHBondContact O-N 2.85Å; E127-S130 PolarHBondContact O-OG 2.95Å; G128-S130 PolarHBondContact O-N 3.27Å |
| 131 | H | 94.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 45 Ų | 45 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | trans | -61.3 | 149.4 | -174.6 | -171.1 | -126.9 | 0 | 0 | 0 | 113.1 | E90 E127 G128 Q133 V136 R137 | E90-H131 IonicContact OE1-CE1 2.7Å; E90-H131 IonicContact OE1-NE2 3.6Å; E90-H131 PolarHBondContact OE1-NE2 3.22Å; E90-H131 IonicContact OE2-CE1 3.41Å; E90-H131 PolarHBondContact OE2-CE1 3.01Å; E127-H131 PolarHBondContact O-N 3.12Å; G128-H131 WeakPolarHBondContact O-CB 3.34Å; G128-H131 PolarHBondContact O-N 3.35Å; H131-Q133 VanDerWaalsContact C-N 3.33Å; H131-Q133 PolarHBondContact ND1-N 2.82Å; H131-Q133 PolarHBondContact O-N 3.11Å; H131-V136 HydrophobicContact CB-CB 4.07Å; H131-V136 HydrophobicContact CB-CG1 3.88Å; H131-V136 WeakPolarHBondContact ND1-CB 3.44Å; H131-V136 VanDerWaalsContact ND1-CG2 3.32Å; H131-V136 WeakPolarHBondContact ND1-CG2 3.41Å; H131-R137 WeakPolarHBondContact O-CD 3.24Å; H131-R137 WeakPolarHBondContact O-CG 3.32Å; H131-R137 PolarHBondContact O-NH1 3.47Å | ||
| 132 | K | 93.4 | Very high | 93.5 | Very high | 200 Ų | 200 | 47.7 Ų | 47.7 | 87% | 0.87 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -61.9 | -39.2 | -179.8 | -68.5 | 174.7 | -176.6 | 165.9 | 0 | 112.3 | R137 | K132-R137 PolarHBondContact O-NH1 2.77Š|
| 133 | Q | 93.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -82.3 | 121.1 | -178.9 | -160.5 | -170.6 | 15 | 0 | 0 | 111.3 | G93 H131 L135 V136 R137 | G93-Q133 VanDerWaalsContact CA-OE1 3.27Å; G93-Q133 PolarHBondContact O-NE2 3.29Å; G93-Q133 PolarHBondContact O-OE1 2.82Å; H131-Q133 VanDerWaalsContact C-N 3.33Å; H131-Q133 PolarHBondContact ND1-N 2.82Å; H131-Q133 PolarHBondContact O-N 3.11Å; Q133-L135 VanDerWaalsContact C-N 3.27Å; Q133-L135 PolarHBondContact O-N 2.9Å; Q133-V136 HydrophobicContact CB-CG2 4.3Å; Q133-V136 PolarHBondContact O-N 3.31Å; Q133-V136 VanDerWaalsContact O-N 3.14Å; Q133-R137 PolarHBondContact O-N 3.49Å |
| 134 | W | 93.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -26.6 | -174.8 | 68.3 | -89.7 | 0 | 0 | 0 | 114.4 | R137 I138 M173 Q175 V176 | W134-R137 PolarHBondContact O-N 2.95Å; W134-I138 HydrophobicContact CE3-CD1 3.54Å; W134-I138 HydrophobicContact CZ3-CD1 3.52Å; W134-I138 PolarHBondContact O-N 3.12Å; W134-I138 VanDerWaalsContact O-N 3.16Å; W134-M173 HydrophobicContact CB-CB 4.37Å; W134-M173 HydrophobicContact CD2-CG 4.04Å; W134-M173 HydrophobicContact CE3-CG 4.06Å; W134-M173 HydrophobicContact CG-CG 4.24Å; W134-Q175 VanDerWaalsContact CH2-OE1 3.26Å; W134-Q175 HydrophobicContact CZ3-CB 4.09Å; W134-V176 HydrophobicContact CB-CG2 3.83Å; W134-V176 HydrophobicContact CE3-CG2 4.33Å |
| 135 | L | 93.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 174.5 | -76.8 | 171 | 0 | 0 | 0 | 112.5 | Q133 I138 G139 | Q133-L135 VanDerWaalsContact C-N 3.27Å; Q133-L135 PolarHBondContact O-N 2.9Å; L135-I138 PolarHBondContact O-N 3.46Å; L135-G139 PolarHBondContact O-N 3.07Å |
| 136 | V | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 175.1 | 178 | 0 | 0 | 0 | 0 | 110.4 | M89 G93 H131 Q133 I138 G139 V140 | M89-V136 HydrophobicContact CG-CG1 3.91Å; G93-V136 VanDerWaalsContact CA-CG2 3.46Å; H131-V136 HydrophobicContact CB-CB 4.07Å; H131-V136 HydrophobicContact CB-CG1 3.88Å; H131-V136 WeakPolarHBondContact ND1-CB 3.44Å; H131-V136 VanDerWaalsContact ND1-CG2 3.32Å; H131-V136 WeakPolarHBondContact ND1-CG2 3.41Å; Q133-V136 HydrophobicContact CB-CG2 4.3Å; Q133-V136 PolarHBondContact O-N 3.31Å; Q133-V136 VanDerWaalsContact O-N 3.14Å; V136-I138 VanDerWaalsContact C-N 3.33Å; V136-I138 PolarHBondContact O-N 2.77Å; V136-G139 PolarHBondContact O-N 2.67Å; V136-G139 VanDerWaalsContact O-N 3.1Å; V136-V140 HydrophobicContact CG1-CG2 4.4Å; V136-V140 PolarHBondContact O-N 2.8Å |
| 137 | R | 96.1 | Very high | 93.2 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 176.8 | -56.8 | -163.2 | -67 | -83.1 | 7.3 | 111.8 | L129 H131 K132 Q133 W134 M141 D171 V176 | L129-R137 VanDerWaalsContact O-CD 3.26Å; L129-R137 WeakPolarHBondContact O-CD 3.49Å; H131-R137 WeakPolarHBondContact O-CD 3.24Å; H131-R137 WeakPolarHBondContact O-CG 3.32Å; H131-R137 PolarHBondContact O-NH1 3.47Å; K132-R137 PolarHBondContact O-NH1 2.77Å; Q133-R137 PolarHBondContact O-N 3.49Å; W134-R137 PolarHBondContact O-N 2.95Å; R137-M141 WeakPolarHBondContact O-CE 3.35Å; R137-M141 WeakPolarHBondContact O-CG 3.44Å; R137-M141 PolarHBondContact O-N 3.29Å; R137-D171 IonicContact CZ-OD1 3.6Å; R137-D171 IonicContact CZ-OD2 3.61Å; R137-D171 IonicContact NE-OD2 3.25Å; R137-D171 PolarHBondContact NE-OD2 2.87Å; R137-D171 IonicContact NH2-OD1 2.64Å; R137-D171 PolarHBondContact NH2-OD1 2.63Å; R137-D171 IonicContact NH2-OD2 2.7Å; R137-D171 PolarHBondContact NH2-OD2 3.47Å; R137-V176 HydrophobicContact CB-CG1 4.26Å |
| 138 | I | 93.1 | Very high | 93 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 172.7 | -70.7 | 172.3 | 0 | 0 | 0 | 111.1 | W134 L135 V136 V140 M141 V142 Q175 V176 V179 | W134-I138 HydrophobicContact CE3-CD1 3.54Å; W134-I138 HydrophobicContact CZ3-CD1 3.52Å; W134-I138 PolarHBondContact O-N 3.12Å; W134-I138 VanDerWaalsContact O-N 3.16Å; L135-I138 PolarHBondContact O-N 3.46Å; V136-I138 VanDerWaalsContact C-N 3.33Å; V136-I138 PolarHBondContact O-N 2.77Å; I138-V140 PolarHBondContact O-N 3.29Å; I138-M141 HydrophobicContact CG1-CE 4.33Å; I138-M141 PolarHBondContact O-N 3.14Å; I138-M141 VanDerWaalsContact O-N 3.15Å; I138-V142 HydrophobicContact CG2-CG2 4.15Å; I138-V142 WeakPolarHBondContact O-CG2 3.21Å; I138-V142 PolarHBondContact O-N 3.1Å; I138-Q175 HydrophobicContact CD1-CB 3.82Å; I138-V176 HydrophobicContact CD1-CG2 4.12Å; I138-V176 HydrophobicContact CG1-CB 4.45Å; I138-V176 HydrophobicContact CG1-CG2 3.99Å; I138-V179 HydrophobicContact CG1-CB 4.48Å; I138-V179 HydrophobicContact CG1-CG2 4.38Å; I138-V179 HydrophobicContact CG2-CG1 4.47Å; I138-V179 HydrophobicContact CG2-CG2 4.22Å |
| 139 | G | 93 | Very high | 92.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L135 V136 M141 V142 V143 | L135-G139 PolarHBondContact O-N 3.07Å; V136-G139 PolarHBondContact O-N 2.67Å; V136-G139 VanDerWaalsContact O-N 3.1Å; G139-M141 PolarHBondContact O-N 3.14Å; G139-V142 PolarHBondContact O-N 2.9Å; G139-V143 WeakPolarHBondContact O-CG2 3.35Å; G139-V143 PolarHBondContact O-N 3.15Å |
| 140 | V | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -36 | 177.4 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | M89 L92 F122 I125 L129 V136 I138 V143 L144 | M89-V140 HydrophobicContact CG-CG2 4.07Å; L92-V140 HydrophobicContact CD1-CG2 3.88Å; F122-V140 HydrophobicContact CE2-CG1 4.23Å; F122-V140 HydrophobicContact CZ-CG1 3.91Å; I125-V140 HydrophobicContact CG1-CG1 4.48Å; L129-V140 HydrophobicContact CD2-CB 4.14Å; L129-V140 HydrophobicContact CD2-CG1 3.78Å; L129-V140 HydrophobicContact CG-CG1 3.89Å; V136-V140 HydrophobicContact CG1-CG2 4.4Å; V136-V140 PolarHBondContact O-N 2.8Å; I138-V140 PolarHBondContact O-N 3.29Å; V140-V143 PolarHBondContact O-N 3.41Å; V140-L144 PolarHBondContact O-N 3.28Å |
| 141 | M | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 171.8 | -71.4 | -172.3 | -66.9 | 0 | 0 | 112.7 | L129 R137 I138 G139 L144 Q145 L168 V176 V179 A180 | L129-M141 HydrophobicContact CD2-CG 3.76Å; R137-M141 WeakPolarHBondContact O-CE 3.35Å; R137-M141 WeakPolarHBondContact O-CG 3.44Å; R137-M141 PolarHBondContact O-N 3.29Å; I138-M141 HydrophobicContact CG1-CE 4.33Å; I138-M141 PolarHBondContact O-N 3.14Å; I138-M141 VanDerWaalsContact O-N 3.15Å; G139-M141 PolarHBondContact O-N 3.14Å; M141-L144 WeakPolarHBondContact O-CB 3.18Å; M141-L144 PolarHBondContact O-N 2.97Å; M141-Q145 WeakPolarHBondContact O-CG 3.45Å; M141-Q145 PolarHBondContact O-N 3.22Å; M141-L168 HydrophobicContact CE-CD1 4.01Å; M141-L168 HydrophobicContact CG-CD1 4.21Å; M141-L168 HydrophobicContact SD-CB 4.47Å; M141-L168 HydrophobicContact SD-CD1 3.6Å; M141-L168 VanDerWaalsContact SD-CD1 3.6Å; M141-V176 HydrophobicContact CE-CG1 3.82Å; M141-V179 HydrophobicContact CB-CG1 3.77Å; M141-V179 HydrophobicContact CE-CB 3.94Å; M141-V179 HydrophobicContact CE-CG1 3.76Å; M141-V179 HydrophobicContact SD-CG1 4.28Å; M141-A180 HydrophobicContact CE-CB 4.39Å; M141-A180 VanDerWaalsContact SD-CA 3.58Å; M141-A180 HydrophobicContact SD-CB 3.78Å |
| 142 | V | 92.6 | Very high | 90.7 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.339 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | I138 G139 L144 Q145 Q146 | I138-V142 HydrophobicContact CG2-CG2 4.15Å; I138-V142 WeakPolarHBondContact O-CG2 3.21Å; I138-V142 PolarHBondContact O-N 3.1Å; G139-V142 PolarHBondContact O-N 2.9Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-Q145 PolarHBondContact O-N 3.38Å; V142-Q146 PolarHBondContact O-N 2.94Å |
| 143 | V | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 170.5 | 174.3 | 0 | 0 | 0 | 0 | 110 | L92 V104 L107 L108 M111 I125 G139 V140 Q145 Q146 V147 | L92-V143 HydrophobicContact CD1-CG2 4.46Å; V104-V143 HydrophobicContact CB-CG2 4.43Å; V104-V143 HydrophobicContact CG1-CG2 4.19Å; V104-V143 HydrophobicContact CG2-CG2 4.02Å; L107-V143 HydrophobicContact CD1-CG2 4.21Å; L108-V143 HydrophobicContact CD2-CG1 4.35Å; M111-V143 HydrophobicContact CE-CG1 3.92Å; I125-V143 HydrophobicContact CD1-CB 4.46Å; I125-V143 HydrophobicContact CD1-CG1 3.92Å; G139-V143 WeakPolarHBondContact O-CG2 3.35Å; G139-V143 PolarHBondContact O-N 3.15Å; V140-V143 PolarHBondContact O-N 3.41Å; V143-Q145 PolarHBondContact O-N 3.24Å; V143-Q146 PolarHBondContact O-N 2.89Å; V143-V147 HydrophobicContact CG1-CG2 4.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.32Å; V143-V147 PolarHBondContact O-N 2.99Å |
| 144 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 178 | -178.9 | 58.5 | 0 | 0 | 0 | 112.9 | F122 V140 M141 V142 Q146 V147 L148 L156 L158 L161 I165 T183 M187 | F122-L144 HydrophobicContact CE2-CB 3.76Å; F122-L144 HydrophobicContact CE2-CD1 4.02Å; F122-L144 HydrophobicContact CE2-CG 4.38Å; F122-L144 HydrophobicContact CZ-CB 3.96Å; F122-L144 HydrophobicContact CZ-CD1 4.11Å; F122-L144 HydrophobicContact CZ-CD2 4.25Å; F122-L144 HydrophobicContact CZ-CG 4.34Å; V140-L144 PolarHBondContact O-N 3.28Å; M141-L144 WeakPolarHBondContact O-CB 3.18Å; M141-L144 PolarHBondContact O-N 2.97Å; V142-L144 VanDerWaalsContact C-N 3.34Å; L144-Q146 VanDerWaalsContact C-N 3.3Å; L144-Q146 PolarHBondContact O-N 3.37Å; L144-V147 PolarHBondContact O-N 2.92Å; L144-L148 HydrophobicContact CD1-CD1 4.45Å; L144-L148 HydrophobicContact CD1-CG 4.33Å; L144-L148 HydrophobicContact CG-CD1 4.25Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.46Å; L144-L156 HydrophobicContact CD1-CD1 3.4Å; L144-L158 HydrophobicContact CD1-CD2 4.22Å; L144-L161 HydrophobicContact CD1-CD1 3.96Å; L144-L161 HydrophobicContact CD2-CD1 4.16Å; L144-I165 HydrophobicContact CD2-CD1 3.41Å; L144-I165 VanDerWaalsContact CD2-CD1 3.41Å; L144-I165 HydrophobicContact CD2-CG1 4.49Å; L144-T183 HydrophobicContact CD2-CG2 3.84Å; L144-T183 HydrophobicContact CG-CG2 4.32Å; L144-M187 HydrophobicContact CD2-SD 4.41Å |
| 145 | Q | 91.1 | Very high | 89 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -45.8 | 175 | -72.2 | 176.4 | -2.3 | 0 | 0 | 111.1 | M141 V142 V143 L148 R149 T183 D186 | M141-Q145 WeakPolarHBondContact O-CG 3.45Å; M141-Q145 PolarHBondContact O-N 3.22Å; V142-Q145 PolarHBondContact O-N 3.38Å; V143-Q145 PolarHBondContact O-N 3.24Å; Q145-L148 PolarHBondContact O-N 3.12Å; Q145-R149 WeakPolarHBondContact O-CB 3.26Å; Q145-R149 WeakPolarHBondContact O-CD 3.26Å; Q145-R149 WeakPolarHBondContact O-CG 3.4Å; Q145-R149 PolarHBondContact O-N 3.38Å; Q145-T183 HydrophobicContact CG-CG2 4.22Å; Q145-T183 PolarHBondContact NE2-OG1 3.37Å; Q145-D186 WeakPolarHBondContact CB-OD2 3.31Å; Q145-D186 WeakPolarHBondContact CG-OD2 3.39Å |
| 146 | Q | 89.3 | Confident | 88.7 | Confident | 75 Ų | 75 | 33.8 Ų | 33.8 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.4 | -33.8 | 179.4 | -167.5 | 59.4 | 41.3 | 0 | 0 | 112.5 | L108 V142 V143 L144 R149 S150 | L108-Q146 HydrophobicContact CD1-CB 3.99Å; L108-Q146 HydrophobicContact CD1-CG 3.46Å; L108-Q146 VanDerWaalsContact CD1-CG 3.46Å; L108-Q146 HydrophobicContact CD2-CB 4.12Å; L108-Q146 HydrophobicContact CD2-CG 4.07Å; L108-Q146 HydrophobicContact CG-CG 4.44Å; V142-Q146 PolarHBondContact O-N 2.94Å; V143-Q146 PolarHBondContact O-N 2.89Å; L144-Q146 VanDerWaalsContact C-N 3.3Å; L144-Q146 PolarHBondContact O-N 3.37Å; Q146-R149 PolarHBondContact O-N 3Å; Q146-S150 PolarHBondContact NE2-OG 2.93Å; Q146-S150 VanDerWaalsContact O-CB 3.23Å; Q146-S150 WeakPolarHBondContact O-CB 3.25Å; Q146-S150 PolarHBondContact O-N 2.94Å; Q146-S150 PolarHBondContact O-OG 2.88Å |
| 147 | V | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L108 M111 P118 V143 L144 R149 S150 Y151 L156 | L108-V147 HydrophobicContact CD2-CG2 3.65Å; M111-V147 HydrophobicContact CE-CG2 3.79Å; M111-V147 HydrophobicContact SD-CG2 3.36Å; M111-V147 WeakPolarHBondContact SD-CG2 3.36Å; P118-V147 HydrophobicContact CB-CG1 4.09Å; V143-V147 HydrophobicContact CG1-CG2 4.28Å; V143-V147 WeakPolarHBondContact O-CG2 3.32Å; V143-V147 PolarHBondContact O-N 2.99Å; L144-V147 PolarHBondContact O-N 2.92Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 3.32Å; V147-S150 PolarHBondContact O-N 3.5Å; V147-S150 VanDerWaalsContact O-N 3.16Å; V147-Y151 HydrophobicContact CG1-CD2 4.18Å; V147-Y151 PolarHBondContact O-N 3.34Å; V147-L156 HydrophobicContact CB-CD1 4.41Å; V147-L156 HydrophobicContact CG1-CD1 3.68Å; V147-L156 HydrophobicContact CG1-CG 4.12Å |
| 148 | L | 87.5 | Confident | 87.7 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -44.1 | 175.9 | -72.9 | 170.3 | 0 | 0 | 0 | 111.7 | L144 Q145 G152 L158 D186 M187 | L144-L148 HydrophobicContact CD1-CD1 4.45Å; L144-L148 HydrophobicContact CD1-CG 4.33Å; L144-L148 HydrophobicContact CG-CD1 4.25Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.46Å; Q145-L148 PolarHBondContact O-N 3.12Å; L148-G152 VanDerWaalsContact O-CA 3.25Å; L148-G152 WeakPolarHBondContact O-CA 3.39Å; L148-G152 PolarHBondContact O-N 3.29Å; L148-G152 VanDerWaalsContact O-N 3.14Å; L148-L158 HydrophobicContact CD2-CD1 3.65Å; L148-L158 HydrophobicContact CD2-CD2 3.74Å; L148-L158 HydrophobicContact CD2-CG 4.34Å; L148-D186 HydrophobicContact CD1-CB 4.2Å; L148-M187 HydrophobicContact CD1-CG 3.65Å |
| 149 | R | 85.6 | Confident | 87.2 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.1 | -24.5 | -179.9 | -66.3 | 166.9 | -171.4 | -164.9 | -2.8 | 114.4 | Q145 Q146 V147 D186 | Q145-R149 WeakPolarHBondContact O-CB 3.26Å; Q145-R149 WeakPolarHBondContact O-CD 3.26Å; Q145-R149 WeakPolarHBondContact O-CG 3.4Å; Q145-R149 PolarHBondContact O-N 3.38Å; Q146-R149 PolarHBondContact O-N 3Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 3.32Å; R149-D186 IonicContact CZ-OD1 3.28Å; R149-D186 IonicContact CZ-OD2 3.75Å; R149-D186 IonicContact NE-OD1 3.95Å; R149-D186 IonicContact NE-OD2 2.9Å; R149-D186 PolarHBondContact NE-OD2 3.28Å; R149-D186 VanDerWaalsContact NH2-CG 3.28Å; R149-D186 IonicContact NH2-OD1 2.7Å; R149-D186 PolarHBondContact NH2-OD1 2.97Å; R149-D186 IonicContact NH2-OD2 2.97Å; R149-D186 PolarHBondContact NH2-OD2 3.43Å |
| 150 | S | 80.7 | Confident | 86.9 | Confident | 66 Ų | 66 | 48 Ų | 48 | 46% | 0.462 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -103 | -34.7 | -174 | -47.3 | 0 | 0 | 0 | 0 | 113.8 | Q146 V147 | Q146-S150 PolarHBondContact NE2-OG 2.93Å; Q146-S150 VanDerWaalsContact O-CB 3.23Å; Q146-S150 WeakPolarHBondContact O-CB 3.25Å; Q146-S150 PolarHBondContact O-N 2.94Å; Q146-S150 PolarHBondContact O-OG 2.88Å; V147-S150 PolarHBondContact O-N 3.5Å; V147-S150 VanDerWaalsContact O-N 3.16Å |
| 151 | Y | 83.1 | Confident | 86.7 | Confident | 94 Ų | 94 | 48.9 Ų | 48.9 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -117.7 | -7 | -175.1 | -62.9 | -84.9 | 0 | 0 | 0 | 113.2 | L108 M111 G112 P118 V147 C155 | L108-Y151 PolarHBondContact O-OH 3.32Å; M111-Y151 HydrophobicContact CB-CE2 4.21Å; M111-Y151 HydrophobicContact SD-CE2 4.49Å; G112-Y151 PolarHBondContact N-OH 2.73Å; P118-Y151 HydrophobicContact CG-CD1 4.1Å; P118-Y151 HydrophobicContact CG-CD2 4.29Å; P118-Y151 HydrophobicContact CG-CE1 4.39Å; P118-Y151 HydrophobicContact CG-CG 4.04Å; V147-Y151 HydrophobicContact CG1-CD2 4.18Å; V147-Y151 PolarHBondContact O-N 3.34Å; Y151-C155 VanDerWaalsContact CB-SG 3.51Å |
| 152 | G | 79 | Confident | 86.4 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | trans | 73.5 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L148 A154 C155 | L148-G152 VanDerWaalsContact O-CA 3.25Å; L148-G152 WeakPolarHBondContact O-CA 3.39Å; L148-G152 PolarHBondContact O-N 3.29Å; L148-G152 VanDerWaalsContact O-N 3.14Å; G152-A154 PolarHBondContact O-N 3.17Å; G152-C155 PolarHBondContact O-SG 3.18Å | ||
| 153 | P | 80 | Confident | 86.3 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -71 | -25.2 | -174.4 | 25 | -33.3 | 0 | 0 | 0 | 114.9 | C155 L156 L158 C190 | P153-C155 PolarHBondContact O-N 2.89Å; P153-L156 PolarHBondContact O-N 3Å; P153-L158 HydrophobicContact CB-CD1 3.64Å; P153-C190 HydrophobicContact CB-CB 3.85Å; P153-C190 HydrophobicContact CG-CB 3.95Å |
| 154 | A | 80.5 | Confident | 86.3 | Confident | 105 Ų | 105 | 49.9 Ų | 49.9 | 87% | 0.868 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -68.7 | -15.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | G152 | G152-A154 PolarHBondContact O-N 3.17Š|
| 155 | C | 83.3 | Confident | 86.3 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -83.3 | -6.7 | -178.4 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | P118 Y151 G152 P153 | P118-C155 HydrophobicContact CB-CB 3.92Å; P118-C155 HydrophobicContact CG-CB 3.82Å; Y151-C155 VanDerWaalsContact CB-SG 3.51Å; G152-C155 PolarHBondContact O-SG 3.18Å; P153-C155 PolarHBondContact O-N 2.89Å |
| 156 | L | 86.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -134.2 | 145.3 | -177.6 | -71.1 | 178.9 | 0 | 0 | 0 | 112.1 | P118 Q119 F122 L144 V147 P153 L158 | P118-L156 HydrophobicContact CB-CD2 4.27Å; Q119-L156 HydrophobicContact CB-CD2 4.45Å; F122-L156 HydrophobicContact CB-CD2 3.73Å; F122-L156 HydrophobicContact CG-CD2 4.17Å; L144-L156 HydrophobicContact CD1-CD1 3.4Å; V147-L156 HydrophobicContact CB-CD1 4.41Å; V147-L156 HydrophobicContact CG1-CD1 3.68Å; V147-L156 HydrophobicContact CG1-CG 4.12Å; P153-L156 PolarHBondContact O-N 3Å; L156-L158 HydrophobicContact CB-CD2 3.7Å; L156-L158 HydrophobicContact CB-CG 4.09Å; L156-L158 HydrophobicContact CD1-CD2 4.01Å; L156-L158 PolarHBondContact O-N 3.5Å |
| 157 | Q | 86.8 | Confident | 86.5 | Confident | 95 Ų | 95 | 53 Ų | 53 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | trans | -76.4 | 60.7 | 169.4 | -65.4 | -174.1 | -13.6 | 0 | 0 | 111.4 | A159 R160 | Q157-A159 PolarHBondContact O-N 3.17Å; Q157-R160 HydrophobicContact CB-CG 4.38Å; Q157-R160 WeakPolarHBondContact O-CB 3.47Å; Q157-R160 PolarHBondContact O-N 3.08Å; Q157-R160 VanDerWaalsContact OE1-CD 3.28Å; Q157-R160 VanDerWaalsContact OE1-NE 3.07Å | ||
| 158 | L | 84.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.7 | -35.7 | -171.2 | -65.5 | 179.1 | 0 | 0 | 0 | 114.1 | L144 L148 P153 L156 R160 L161 V162 M187 L191 | L144-L158 HydrophobicContact CD1-CD2 4.22Å; L148-L158 HydrophobicContact CD2-CD1 3.65Å; L148-L158 HydrophobicContact CD2-CD2 3.74Å; L148-L158 HydrophobicContact CD2-CG 4.34Å; P153-L158 HydrophobicContact CB-CD1 3.64Å; L156-L158 HydrophobicContact CB-CD2 3.7Å; L156-L158 HydrophobicContact CB-CG 4.09Å; L156-L158 HydrophobicContact CD1-CD2 4.01Å; L156-L158 PolarHBondContact O-N 3.5Å; L158-R160 PolarHBondContact O-N 3.04Å; L158-L161 HydrophobicContact CD2-CD1 4.36Å; L158-L161 WeakPolarHBondContact O-CB 3.39Å; L158-L161 PolarHBondContact O-N 3.47Å; L158-V162 WeakPolarHBondContact O-CG2 3.2Å; L158-V162 PolarHBondContact O-N 3.36Å; L158-M187 HydrophobicContact CB-CE 4.02Å; L158-M187 HydrophobicContact CD2-CE 4.33Å; L158-L191 HydrophobicContact CB-CD1 4.18Å; L158-L191 HydrophobicContact CD1-CD1 4.17Å; L158-L191 HydrophobicContact CD1-CD2 4.13Å; L158-L191 HydrophobicContact CD1-CG 4.2Å |
| 159 | A | 82.9 | Confident | 87 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.7 | -28 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q157 | Q157-A159 PolarHBondContact O-N 3.17Å |
| 160 | R | 86.8 | Confident | 87.2 | Confident | 178 Ų | 178 | 50 Ų | 50 | 67% | 0.672 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.6 | -23.7 | 174.1 | -65.9 | -176.4 | 172.7 | -176.4 | -2.4 | 112.7 | Q157 L158 | Q157-R160 HydrophobicContact CB-CG 4.38Å; Q157-R160 WeakPolarHBondContact O-CB 3.47Å; Q157-R160 PolarHBondContact O-N 3.08Å; Q157-R160 VanDerWaalsContact OE1-CD 3.28Å; Q157-R160 VanDerWaalsContact OE1-NE 3.07Å; L158-R160 PolarHBondContact O-N 3.04Å |
| 161 | L | 89.7 | Confident | 87.8 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -87.5 | -29.6 | -176.6 | -55.7 | -176.9 | 0 | 0 | 0 | 113 | F122 L144 L158 S164 I165 | F122-L161 HydrophobicContact CD1-CD1 3.87Å; F122-L161 HydrophobicContact CD1-CD2 4.02Å; F122-L161 HydrophobicContact CE1-CD1 3.48Å; F122-L161 VanDerWaalsContact CE1-CD1 3.48Å; F122-L161 HydrophobicContact CE1-CD2 3.65Å; F122-L161 HydrophobicContact CE1-CG 4.21Å; F122-L161 HydrophobicContact CZ-CD1 4.09Å; L144-L161 HydrophobicContact CD1-CD1 3.96Å; L144-L161 HydrophobicContact CD2-CD1 4.16Å; L158-L161 HydrophobicContact CD2-CD1 4.36Å; L158-L161 WeakPolarHBondContact O-CB 3.39Å; L158-L161 PolarHBondContact O-N 3.47Å; L161-S164 PolarHBondContact O-N 3.23Å; L161-I165 HydrophobicContact CB-CD1 4.07Å; L161-I165 PolarHBondContact O-N 3.38Å; L161-I165 VanDerWaalsContact O-N 3.09Å |
| 162 | V | 90.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -48.1 | -50.4 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | L158 S164 I165 C166 M187 L195 I199 L204 | L158-V162 WeakPolarHBondContact O-CG2 3.2Å; L158-V162 PolarHBondContact O-N 3.36Å; V162-S164 VanDerWaalsContact C-N 3.27Å; V162-S164 PolarHBondContact O-N 3.19Å; V162-I165 PolarHBondContact O-N 3.14Å; V162-C166 WeakPolarHBondContact O-CB 3.47Å; V162-C166 PolarHBondContact O-N 3.3Å; V162-C166 PolarHBondContact O-SG 3.42Å; V162-M187 HydrophobicContact CG2-CE 3.67Å; V162-L195 HydrophobicContact CB-CD1 4.3Å; V162-L195 HydrophobicContact CG1-CD1 3.76Å; V162-L195 HydrophobicContact CG2-CD1 3.45Å; V162-L195 VanDerWaalsContact CG2-CD1 3.45Å; V162-I199 HydrophobicContact CG1-CD1 4.25Å; V162-I199 HydrophobicContact CG1-CG1 3.74Å; V162-L204 HydrophobicContact CG1-CD1 3.86Å |
| 163 | P | 91 | Very high | 88.7 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 29% | 0.286 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -29.6 | -179.3 | -21.5 | 35 | 0 | 0 | 0 | 113.9 | R167 L204 | P163-R167 VanDerWaalsContact O-CG 3.32Å; P163-R167 WeakPolarHBondContact O-CG 3.44Å; P163-R167 PolarHBondContact O-N 3.2Å; P163-R167 PolarHBondContact O-NE 3.34Å; P163-L204 HydrophobicContact CB-CD1 4.39Å; P163-L204 HydrophobicContact CB-CD2 3.98Å; P163-L204 HydrophobicContact CG-CD1 4.12Å; P163-L204 HydrophobicContact CG-CD2 4.28Å |
| 164 | S | 92.1 | Very high | 89.2 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.8 | -38.6 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | L161 V162 R167 | L161-S164 PolarHBondContact O-N 3.23Å; V162-S164 VanDerWaalsContact C-N 3.27Å; V162-S164 PolarHBondContact O-N 3.19Å; S164-R167 PolarHBondContact O-N 3.42Å; S164-R167 PolarHBondContact OG-NH2 3.16Å |
| 165 | I | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.7 | -38.5 | 178.8 | -56.2 | 161.2 | 0 | 0 | 0 | 110.5 | L129 L144 L161 V162 R167 L168 L169 A180 T183 L184 M187 | L129-I165 HydrophobicContact CD1-CG1 4.43Å; L144-I165 HydrophobicContact CD2-CD1 3.41Å; L144-I165 VanDerWaalsContact CD2-CD1 3.41Å; L144-I165 HydrophobicContact CD2-CG1 4.49Å; L161-I165 HydrophobicContact CB-CD1 4.07Å; L161-I165 PolarHBondContact O-N 3.38Å; L161-I165 VanDerWaalsContact O-N 3.09Å; V162-I165 PolarHBondContact O-N 3.14Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.42Å; I165-L168 WeakPolarHBondContact O-CA 3.18Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 PolarHBondContact O-N 2.95Å; I165-L169 PolarHBondContact O-N 3.28Å; I165-A180 HydrophobicContact CG2-CB 4.36Å; I165-T183 HydrophobicContact CD1-CG2 4.2Å; I165-T183 HydrophobicContact CG2-CG2 4.31Å; I165-L184 HydrophobicContact CB-CD2 4.24Å; I165-L184 HydrophobicContact CG2-CD1 4.19Å; I165-L184 HydrophobicContact CG2-CD2 3.95Å; I165-L184 HydrophobicContact CG2-CG 3.72Å; I165-M187 HydrophobicContact CD1-CE 4.27Å; I165-M187 HydrophobicContact CD1-SD 3.45Å; I165-M187 WeakPolarHBondContact CD1-SD 3.3Å |
| 166 | C | 92.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -37.5 | 172.4 | -71.7 | 0 | 0 | 0 | 0 | 112.5 | V162 L168 L169 L204 V205 | V162-C166 WeakPolarHBondContact O-CB 3.47Å; V162-C166 PolarHBondContact O-N 3.3Å; V162-C166 PolarHBondContact O-SG 3.42Å; C166-L168 VanDerWaalsContact C-N 3.25Å; C166-L168 PolarHBondContact O-N 3.3Å; C166-L169 WeakPolarHBondContact O-CB 3.24Å; C166-L169 PolarHBondContact O-N 2.99Å; C166-L204 HydrophobicContact CB-CB 3.81Å; C166-V205 HydrophobicContact CB-CG2 3.7Å |
| 167 | R | 92.2 | Very high | 90.4 | Very high | 161 Ų | 161 | 49.6 Ų | 49.6 | 61% | 0.608 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.4 | -30.8 | 172 | -76.9 | -178.1 | -65.9 | 167.3 | 1.3 | 112.9 | P163 S164 I165 L169 A170 | P163-R167 VanDerWaalsContact O-CG 3.32Å; P163-R167 WeakPolarHBondContact O-CG 3.44Å; P163-R167 PolarHBondContact O-N 3.2Å; P163-R167 PolarHBondContact O-NE 3.34Å; S164-R167 PolarHBondContact O-N 3.42Å; S164-R167 PolarHBondContact OG-NH2 3.16Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.42Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.28Å; R167-A170 WeakPolarHBondContact O-CB 3.34Å; R167-A170 PolarHBondContact O-N 2.9Å |
| 168 | L | 93.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.5 | -16.7 | 178.8 | -65.2 | 178.8 | 0 | 0 | 0 | 114.1 | L129 M141 I165 C166 A170 D171 V176 A180 | L129-L168 HydrophobicContact CB-CD1 4.37Å; L129-L168 HydrophobicContact CD2-CD1 3.96Å; L129-L168 WeakPolarHBondContact O-CD2 3.33Å; M141-L168 HydrophobicContact CE-CD1 4.01Å; M141-L168 HydrophobicContact CG-CD1 4.21Å; M141-L168 HydrophobicContact SD-CB 4.47Å; M141-L168 HydrophobicContact SD-CD1 3.6Å; M141-L168 VanDerWaalsContact SD-CD1 3.6Å; I165-L168 WeakPolarHBondContact O-CA 3.18Å; I165-L168 WeakPolarHBondContact O-CB 3.32Å; I165-L168 PolarHBondContact O-N 2.95Å; C166-L168 VanDerWaalsContact C-N 3.25Å; C166-L168 PolarHBondContact O-N 3.3Å; L168-A170 PolarHBondContact O-N 3.34Å; L168-D171 VanDerWaalsContact O-CB 3.29Å; L168-D171 WeakPolarHBondContact O-CB 3.13Å; L168-D171 PolarHBondContact O-N 3.34Å; L168-D171 VanDerWaalsContact O-N 3.1Å; L168-V176 HydrophobicContact CB-CG1 4.19Å; L168-V176 HydrophobicContact CD2-CG1 4.06Å; L168-V176 HydrophobicContact CG-CG1 4.5Å; L168-A180 HydrophobicContact CB-CB 3.78Å |
| 169 | L | 91.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.1 | 164.4 | -59.9 | 174.6 | 0 | 0 | 0 | 111.8 | I165 C166 R167 R177 A180 T181 L184 V205 R209 L213 | I165-L169 PolarHBondContact O-N 3.28Å; C166-L169 WeakPolarHBondContact O-CB 3.24Å; C166-L169 PolarHBondContact O-N 2.99Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.28Å; L169-R177 WeakPolarHBondContact O-CD 3.31Å; L169-R177 WeakPolarHBondContact O-CG 3.21Å; L169-A180 HydrophobicContact CD2-CB 3.92Å; L169-A180 HydrophobicContact CG-CB 4.46Å; L169-T181 WeakPolarHBondContact CD2-OG1 3.5Å; L169-L184 HydrophobicContact CD1-CD1 3.72Å; L169-L184 HydrophobicContact CD2-CD1 4.22Å; L169-L184 HydrophobicContact CG-CD1 4.08Å; L169-V205 HydrophobicContact CD1-CB 4.42Å; L169-V205 HydrophobicContact CD1-CG1 3.74Å; L169-V205 HydrophobicContact CD1-CG2 3.71Å; L169-R209 WeakPolarHBondContact O-CD 3.32Å; L169-R209 PolarHBondContact O-NE 2.94Å; L169-L213 HydrophobicContact CD1-CD2 4.19Å |
| 170 | A | 89.9 | Confident | 91.5 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R167 L168 | R167-A170 WeakPolarHBondContact O-CB 3.34Å; R167-A170 PolarHBondContact O-N 2.9Å; L168-A170 PolarHBondContact O-N 3.34Å |
| 171 | D | 92.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | trans | -57 | 143 | -176.9 | -160.2 | -81.3 | 0 | 0 | 0 | 112.8 | R137 L168 M173 V176 R177 | R137-D171 IonicContact CZ-OD1 3.6Å; R137-D171 IonicContact CZ-OD2 3.61Å; R137-D171 IonicContact NE-OD2 3.25Å; R137-D171 PolarHBondContact NE-OD2 2.87Å; R137-D171 IonicContact NH2-OD1 2.64Å; R137-D171 PolarHBondContact NH2-OD1 2.63Å; R137-D171 IonicContact NH2-OD2 2.7Å; R137-D171 PolarHBondContact NH2-OD2 3.47Å; L168-D171 VanDerWaalsContact O-CB 3.29Å; L168-D171 WeakPolarHBondContact O-CB 3.13Å; L168-D171 PolarHBondContact O-N 3.34Å; L168-D171 VanDerWaalsContact O-N 3.1Å; D171-M173 PolarHBondContact O-N 2.97Å; D171-M173 WeakPolarHBondContact OD1-CB 3.5Å; D171-M173 PolarHBondContact OD1-N 3.21Å; D171-V176 HydrophobicContact CB-CB 3.75Å; D171-V176 HydrophobicContact CB-CG1 3.71Å; D171-R177 HydrophobicContact CB-CG 4Å; D171-R177 VanDerWaalsContact O-CD 3.26Å; D171-R177 WeakPolarHBondContact O-CD 3.39Å; D171-R177 WeakPolarHBondContact O-CG 3.35Å; D171-R177 PolarHBondContact O-NH1 3.47Å | ||
| 172 | P | 91.1 | Very high | 91.9 | Very high | 113 Ų | 113 | 42.1 Ų | 42.1 | 73% | 0.734 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -61.9 | -25.6 | 173.5 | 24.4 | -35.8 | 0 | 0 | 0 | 113.8 | ||
| 173 | M | 90.9 | Very high | 92 | Very high | 72 Ų | 72 | 42 Ų | 42 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -96.9 | 119.9 | -177.4 | -167 | 58.5 | 63.8 | 0 | 0 | 111.5 | W134 D171 Q175 V176 R177 | W134-M173 HydrophobicContact CB-CB 4.37Å; W134-M173 HydrophobicContact CD2-CG 4.04Å; W134-M173 HydrophobicContact CE3-CG 4.06Å; W134-M173 HydrophobicContact CG-CG 4.24Å; D171-M173 PolarHBondContact O-N 2.97Å; D171-M173 WeakPolarHBondContact OD1-CB 3.5Å; D171-M173 PolarHBondContact OD1-N 3.21Å; M173-Q175 VanDerWaalsContact C-N 3.26Å; M173-Q175 PolarHBondContact O-N 3.49Å; M173-Q175 VanDerWaalsContact O-N 3.15Å; M173-V176 HydrophobicContact CB-CG2 4.01Å; M173-V176 HydrophobicContact CG-CG2 4.5Å; M173-V176 WeakPolarHBondContact O-CB 3.44Å; M173-V176 PolarHBondContact O-N 2.83Å; M173-R177 PolarHBondContact O-N 2.98Å |
| 174 | N | 89 | Confident | 92.1 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -49.8 | -44.8 | -178.3 | -69.1 | -12 | 0 | 0 | 0 | 113.1 | V176 R177 D178 | N174-V176 PolarHBondContact O-N 2.8Å; N174-R177 WeakPolarHBondContact O-CA 3.29Å; N174-R177 WeakPolarHBondContact O-CB 3.45Å; N174-R177 PolarHBondContact O-N 3.24Å; N174-R177 PolarHBondContact OD1-NH2 2.9Å; N174-D178 PolarHBondContact O-N 3.07Å |
| 175 | Q | 89.9 | Confident | 92.1 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | -177.5 | -56.4 | -166.2 | -8.3 | 0 | 0 | 113.5 | W134 I138 M173 V179 T304 | W134-Q175 VanDerWaalsContact CH2-OE1 3.26Å; W134-Q175 HydrophobicContact CZ3-CB 4.09Å; I138-Q175 HydrophobicContact CD1-CB 3.82Å; M173-Q175 VanDerWaalsContact C-N 3.26Å; M173-Q175 PolarHBondContact O-N 3.49Å; M173-Q175 VanDerWaalsContact O-N 3.15Å; Q175-V179 VanDerWaalsContact O-CG2 3.29Å; Q175-V179 WeakPolarHBondContact O-CG2 3.27Å; Q175-V179 PolarHBondContact O-N 3.23Å; Q175-T304 VanDerWaalsContact CD-O 3.29Å; Q175-T304 PolarHBondContact NE2-O 3.17Å; Q175-T304 PolarHBondContact OE1-O 2.85Å |
| 176 | V | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.7 | -41.9 | 174.4 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | W134 R137 I138 M141 L168 D171 M173 N174 V179 A180 | W134-V176 HydrophobicContact CB-CG2 3.83Å; W134-V176 HydrophobicContact CE3-CG2 4.33Å; R137-V176 HydrophobicContact CB-CG1 4.26Å; I138-V176 HydrophobicContact CD1-CG2 4.12Å; I138-V176 HydrophobicContact CG1-CB 4.45Å; I138-V176 HydrophobicContact CG1-CG2 3.99Å; M141-V176 HydrophobicContact CE-CG1 3.82Å; L168-V176 HydrophobicContact CB-CG1 4.19Å; L168-V176 HydrophobicContact CD2-CG1 4.06Å; L168-V176 HydrophobicContact CG-CG1 4.5Å; D171-V176 HydrophobicContact CB-CB 3.75Å; D171-V176 HydrophobicContact CB-CG1 3.71Å; M173-V176 HydrophobicContact CB-CG2 4.01Å; M173-V176 HydrophobicContact CG-CG2 4.5Å; M173-V176 WeakPolarHBondContact O-CB 3.44Å; M173-V176 PolarHBondContact O-N 2.83Å; N174-V176 PolarHBondContact O-N 2.8Å; V176-V179 PolarHBondContact O-N 3.44Å; V176-A180 VanDerWaalsContact O-CB 3.29Å; V176-A180 WeakPolarHBondContact O-CB 3.45Å; V176-A180 PolarHBondContact O-N 2.93Å |
| 177 | R | 93.1 | Very high | 91.6 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 177 | -58.9 | -163.9 | -78.2 | -130.8 | 11.1 | 112.1 | L169 D171 M173 N174 A180 T181 | L169-R177 WeakPolarHBondContact O-CD 3.31Å; L169-R177 WeakPolarHBondContact O-CG 3.21Å; D171-R177 HydrophobicContact CB-CG 4Å; D171-R177 VanDerWaalsContact O-CD 3.26Å; D171-R177 WeakPolarHBondContact O-CD 3.39Å; D171-R177 WeakPolarHBondContact O-CG 3.35Å; D171-R177 PolarHBondContact O-NH1 3.47Å; M173-R177 PolarHBondContact O-N 2.98Å; N174-R177 WeakPolarHBondContact O-CA 3.29Å; N174-R177 WeakPolarHBondContact O-CB 3.45Å; N174-R177 PolarHBondContact O-N 3.24Å; N174-R177 PolarHBondContact OD1-NH2 2.9Å; R177-A180 PolarHBondContact O-N 3.41Å; R177-T181 PolarHBondContact O-N 3.33Å; R177-T181 PolarHBondContact O-OG1 3Å |
| 178 | D | 90.4 | Very high | 91.5 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 179 | -58.9 | -30.9 | 0 | 0 | 0 | 110.6 | N174 A180 T181 E182 | N174-D178 PolarHBondContact O-N 3.07Å; D178-A180 PolarHBondContact O-N 3.19Å; D178-T181 PolarHBondContact O-N 3.27Å; D178-E182 WeakPolarHBondContact O-CG 3.35Å; D178-E182 PolarHBondContact O-N 2.89Å; D178-E182 VanDerWaalsContact O-N 3.14Å |
| 179 | V | 92.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 13% | 0.127 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 112 | I138 M141 Q175 V176 E182 T183 | I138-V179 HydrophobicContact CG1-CB 4.48Å; I138-V179 HydrophobicContact CG1-CG2 4.38Å; I138-V179 HydrophobicContact CG2-CG1 4.47Å; I138-V179 HydrophobicContact CG2-CG2 4.22Å; M141-V179 HydrophobicContact CB-CG1 3.77Å; M141-V179 HydrophobicContact CE-CB 3.94Å; M141-V179 HydrophobicContact CE-CG1 3.76Å; M141-V179 HydrophobicContact SD-CG1 4.28Å; Q175-V179 VanDerWaalsContact O-CG2 3.29Å; Q175-V179 WeakPolarHBondContact O-CG2 3.27Å; Q175-V179 PolarHBondContact O-N 3.23Å; V176-V179 PolarHBondContact O-N 3.44Å; V179-E182 PolarHBondContact O-N 3.49Å; V179-T183 WeakPolarHBondContact O-CB 3.38Å; V179-T183 PolarHBondContact O-N 3.48Å; V179-T183 PolarHBondContact O-OG1 2.65Å |
| 180 | A | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M141 I165 L168 L169 V176 R177 D178 T183 L184 | M141-A180 HydrophobicContact CE-CB 4.39Å; M141-A180 VanDerWaalsContact SD-CA 3.58Å; M141-A180 HydrophobicContact SD-CB 3.78Å; I165-A180 HydrophobicContact CG2-CB 4.36Å; L168-A180 HydrophobicContact CB-CB 3.78Å; L169-A180 HydrophobicContact CD2-CB 3.92Å; L169-A180 HydrophobicContact CG-CB 4.46Å; V176-A180 VanDerWaalsContact O-CB 3.29Å; V176-A180 WeakPolarHBondContact O-CB 3.45Å; V176-A180 PolarHBondContact O-N 2.93Å; R177-A180 PolarHBondContact O-N 3.41Å; D178-A180 PolarHBondContact O-N 3.19Å; A180-T183 PolarHBondContact O-N 3.15Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å; A180-L184 PolarHBondContact O-N 2.85Å |
| 181 | T | 92.3 | Very high | 90.4 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -52.8 | 172.6 | -58.5 | 0 | 0 | 0 | 0 | 111 | L169 R177 D178 T183 L184 V185 L213 R216 | L169-T181 WeakPolarHBondContact CD2-OG1 3.5Å; R177-T181 PolarHBondContact O-N 3.33Å; R177-T181 PolarHBondContact O-OG1 3Å; D178-T181 PolarHBondContact O-N 3.27Å; T181-T183 VanDerWaalsContact C-N 3.27Å; T181-T183 PolarHBondContact O-N 2.82Å; T181-L184 PolarHBondContact O-N 3.41Å; T181-L184 VanDerWaalsContact O-N 3.14Å; T181-V185 WeakPolarHBondContact O-CG2 3.47Å; T181-V185 PolarHBondContact O-N 3.38Å; T181-L213 HydrophobicContact CG2-CD1 4.11Å; T181-R216 HydrophobicContact CG2-CG 4.48Å |
| 182 | E | 92.4 | Very high | 90 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -32.9 | -179.8 | -58.8 | -72 | 137.1 | 0 | 0 | 112 | D178 V179 V185 D186 R216 | D178-E182 WeakPolarHBondContact O-CG 3.35Å; D178-E182 PolarHBondContact O-N 2.89Å; D178-E182 VanDerWaalsContact O-N 3.14Å; V179-E182 PolarHBondContact O-N 3.49Å; E182-V185 PolarHBondContact O-N 3.25Å; E182-D186 PolarHBondContact O-N 2.96Å; E182-R216 IonicContact OE1-CZ 2.76Å; E182-R216 VanDerWaalsContact OE1-CZ 3.31Å; E182-R216 IonicContact OE1-NH1 2.86Å; E182-R216 PolarHBondContact OE1-NH1 3.47Å; E182-R216 IonicContact OE1-NH2 3.07Å; E182-R216 PolarHBondContact OE1-NH2 3.37Å; E182-R216 IonicContact OE2-NH1 2.72Å |
| 183 | T | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 174.4 | -52.9 | 0 | 0 | 0 | 0 | 112 | L144 Q145 I165 V179 A180 T181 V185 D186 M187 | L144-T183 HydrophobicContact CD2-CG2 3.84Å; L144-T183 HydrophobicContact CG-CG2 4.32Å; Q145-T183 HydrophobicContact CG-CG2 4.22Å; Q145-T183 PolarHBondContact NE2-OG1 3.37Å; I165-T183 HydrophobicContact CD1-CG2 4.2Å; I165-T183 HydrophobicContact CG2-CG2 4.31Å; V179-T183 WeakPolarHBondContact O-CB 3.38Å; V179-T183 PolarHBondContact O-N 3.48Å; V179-T183 PolarHBondContact O-OG1 2.65Å; A180-T183 PolarHBondContact O-N 3.15Å; T181-T183 VanDerWaalsContact C-N 3.27Å; T181-T183 PolarHBondContact O-N 2.82Å; T183-V185 VanDerWaalsContact C-N 3.31Å; T183-D186 PolarHBondContact O-N 3.34Å; T183-M187 VanDerWaalsContact O-CG 3.29Å; T183-M187 WeakPolarHBondContact O-CG 3.14Å; T183-M187 PolarHBondContact O-N 3.37Å |
| 184 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.5 | -30.3 | 175.2 | -72.3 | 168 | 0 | 0 | 0 | 112 | I165 L169 A180 T181 M187 Y188 I199 L213 F217 | I165-L184 HydrophobicContact CB-CD2 4.24Å; I165-L184 HydrophobicContact CG2-CD1 4.19Å; I165-L184 HydrophobicContact CG2-CD2 3.95Å; I165-L184 HydrophobicContact CG2-CG 3.72Å; L169-L184 HydrophobicContact CD1-CD1 3.72Å; L169-L184 HydrophobicContact CD2-CD1 4.22Å; L169-L184 HydrophobicContact CG-CD1 4.08Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å; A180-L184 PolarHBondContact O-N 2.85Å; T181-L184 PolarHBondContact O-N 3.41Å; T181-L184 VanDerWaalsContact O-N 3.14Å; L184-M187 HydrophobicContact CD2-SD 4.24Å; L184-M187 PolarHBondContact O-N 3.09Å; L184-Y188 WeakPolarHBondContact O-CB 3.19Å; L184-Y188 PolarHBondContact O-N 3.28Å; L184-I199 HydrophobicContact CD2-CD1 4.37Å; L184-L213 HydrophobicContact CB-CD1 3.79Å; L184-L213 HydrophobicContact CB-CD2 4.46Å; L184-L213 HydrophobicContact CD1-CD1 4.18Å; L184-L213 HydrophobicContact CD1-CD2 3.85Å; L184-F217 HydrophobicContact CB-CE1 4.34Å; L184-F217 HydrophobicContact CB-CZ 4.25Å; L184-F217 WeakPolarHBondContact O-CE1 3.45Å |
| 185 | V | 91.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -46.1 | 172.3 | 174.7 | 0 | 0 | 0 | 0 | 111 | T181 E182 T183 M187 Y188 V189 R216 F217 V220 | T181-V185 WeakPolarHBondContact O-CG2 3.47Å; T181-V185 PolarHBondContact O-N 3.38Å; E182-V185 PolarHBondContact O-N 3.25Å; T183-V185 VanDerWaalsContact C-N 3.31Å; V185-M187 VanDerWaalsContact C-N 3.28Å; V185-M187 PolarHBondContact O-N 2.98Å; V185-Y188 WeakPolarHBondContact O-CB 3.45Å; V185-Y188 PolarHBondContact O-N 3.08Å; V185-V189 PolarHBondContact O-N 3.15Å; V185-R216 HydrophobicContact CG2-CB 3.86Å; V185-F217 HydrophobicContact CG2-CD1 4.08Å; V185-F217 HydrophobicContact CG2-CE1 4.05Å; V185-V220 HydrophobicContact CG1-CG2 3.64Å |
| 186 | D | 87.7 | Confident | 89.4 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -39.9 | 171.9 | -85.9 | 12.5 | 0 | 0 | 0 | 111.7 | Q145 L148 R149 E182 T183 C190 | Q145-D186 WeakPolarHBondContact CB-OD2 3.31Å; Q145-D186 WeakPolarHBondContact CG-OD2 3.39Å; L148-D186 HydrophobicContact CD1-CB 4.2Å; R149-D186 IonicContact CZ-OD1 3.28Å; R149-D186 IonicContact CZ-OD2 3.75Å; R149-D186 IonicContact NE-OD1 3.95Å; R149-D186 IonicContact NE-OD2 2.9Å; R149-D186 PolarHBondContact NE-OD2 3.28Å; R149-D186 VanDerWaalsContact NH2-CG 3.28Å; R149-D186 IonicContact NH2-OD1 2.7Å; R149-D186 PolarHBondContact NH2-OD1 2.97Å; R149-D186 IonicContact NH2-OD2 2.97Å; R149-D186 PolarHBondContact NH2-OD2 3.43Å; E182-D186 PolarHBondContact O-N 2.96Å; T183-D186 PolarHBondContact O-N 3.34Å; D186-C190 PolarHBondContact O-N 3.42Å; D186-C190 PolarHBondContact O-SG 3.05Å |
| 187 | M | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 173.6 | -69.8 | 176 | 77.1 | 0 | 0 | 112.6 | L144 L148 L158 V162 I165 T183 L184 V185 C190 L191 L195 | L144-M187 HydrophobicContact CD2-SD 4.41Å; L148-M187 HydrophobicContact CD1-CG 3.65Å; L158-M187 HydrophobicContact CB-CE 4.02Å; L158-M187 HydrophobicContact CD2-CE 4.33Å; V162-M187 HydrophobicContact CG2-CE 3.67Å; I165-M187 HydrophobicContact CD1-CE 4.27Å; I165-M187 HydrophobicContact CD1-SD 3.45Å; I165-M187 WeakPolarHBondContact CD1-SD 3.3Å; T183-M187 VanDerWaalsContact O-CG 3.29Å; T183-M187 WeakPolarHBondContact O-CG 3.14Å; T183-M187 PolarHBondContact O-N 3.37Å; L184-M187 HydrophobicContact CD2-SD 4.24Å; L184-M187 PolarHBondContact O-N 3.09Å; V185-M187 VanDerWaalsContact C-N 3.28Å; V185-M187 PolarHBondContact O-N 2.98Å; M187-C190 PolarHBondContact O-N 2.96Å; M187-L191 HydrophobicContact CE-CD1 4.39Å; M187-L191 VanDerWaalsContact O-CB 3.29Å; M187-L191 WeakPolarHBondContact O-CB 3.32Å; M187-L191 WeakPolarHBondContact O-CG 3.21Å; M187-L191 PolarHBondContact O-N 2.85Å; M187-L195 HydrophobicContact CB-CD2 3.66Å |
| 188 | Y | 90.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 176.8 | 179 | -102.6 | 0 | 0 | 0 | 111.9 | L184 V185 C190 L191 G192 D193 A196 F217 V220 V226 | L184-Y188 WeakPolarHBondContact O-CB 3.19Å; L184-Y188 PolarHBondContact O-N 3.28Å; V185-Y188 WeakPolarHBondContact O-CB 3.45Å; V185-Y188 PolarHBondContact O-N 3.08Å; Y188-C190 PolarHBondContact O-N 2.79Å; Y188-L191 PolarHBondContact O-N 2.82Å; Y188-G192 WeakPolarHBondContact CD2-O 3.14Å; Y188-G192 VanDerWaalsContact CE2-C 3.46Å; Y188-G192 WeakPolarHBondContact CE2-O 3.23Å; Y188-G192 VanDerWaalsContact O-CA 3.27Å; Y188-G192 WeakPolarHBondContact O-CA 3.34Å; Y188-G192 PolarHBondContact O-N 3.33Å; Y188-D193 PolarHBondContact OH-OD1 3.13Å; Y188-A196 HydrophobicContact CE2-CB 4.32Å; Y188-F217 HydrophobicContact CD1-CB 3.78Å; Y188-F217 AromaticContact CD1-CD1 3.99Å; Y188-F217 HydrophobicContact CD1-CD1 3.99Å; Y188-F217 HydrophobicContact CD1-CD2 4.45Å; Y188-F217 AromaticContact CD1-CG 3.83Å; Y188-F217 HydrophobicContact CD1-CG 3.83Å; Y188-F217 HydrophobicContact CD2-CB 4.12Å; Y188-F217 HydrophobicContact CD2-CD1 4.24Å; Y188-F217 AromaticContact CD2-CD2 3.44Å; Y188-F217 HydrophobicContact CD2-CD2 3.44Å; Y188-F217 VanDerWaalsContact CD2-CD2 3.44Å; Y188-F217 AromaticContact CD2-CE2 3.81Å; Y188-F217 HydrophobicContact CD2-CE2 3.81Å; Y188-F217 AromaticContact CD2-CG 3.69Å; Y188-F217 HydrophobicContact CD2-CG 3.69Å; Y188-F217 HydrophobicContact CD2-CZ 4.34Å; Y188-F217 HydrophobicContact CE1-CB 3.71Å; Y188-F217 HydrophobicContact CE1-CG 4.22Å; Y188-F217 WeakPolarHBondContact CE1-O 3.42Å; Y188-F217 HydrophobicContact CE2-CB 4.04Å; Y188-F217 AromaticContact CE2-CD2 3.85Å; Y188-F217 HydrophobicContact CE2-CD2 3.85Å; Y188-F217 HydrophobicContact CE2-CG 4.09Å; Y188-F217 HydrophobicContact CG-CB 4Å; Y188-F217 AromaticContact CG-CD1 3.7Å; Y188-F217 HydrophobicContact CG-CD1 3.7Å; Y188-F217 AromaticContact CG-CD2 3.79Å; Y188-F217 HydrophobicContact CG-CD2 3.79Å; Y188-F217 HydrophobicContact CG-CE1 4.06Å; Y188-F217 HydrophobicContact CG-CE2 4.15Å; Y188-F217 AromaticContact CG-CG 3.56Å; Y188-F217 HydrophobicContact CG-CG 3.56Å; Y188-F217 HydrophobicContact CG-CZ 4.27Å; Y188-V220 HydrophobicContact CD1-CB 4.41Å; Y188-V220 HydrophobicContact CD1-CG1 4.27Å; Y188-V220 HydrophobicContact CE1-CG1 4.44Å; Y188-V226 HydrophobicContact CE1-CG2 4.24Å |
| 189 | V | 86.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 33.8 Ų | 33.8 | 29% | 0.291 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.7 | -38.1 | 170.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | V185 V220 | V185-V189 PolarHBondContact O-N 3.15Å; V189-V220 HydrophobicContact CG2-CG1 3.7Å |
| 190 | C | 81.8 | Confident | 88.4 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 30% | 0.304 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -87.7 | -29 | -176.2 | -59.2 | 0 | 0 | 0 | 0 | 115.3 | P153 D186 M187 Y188 | P153-C190 HydrophobicContact CB-CB 3.85Å; P153-C190 HydrophobicContact CG-CB 3.95Å; D186-C190 PolarHBondContact O-N 3.42Å; D186-C190 PolarHBondContact O-SG 3.05Å; M187-C190 PolarHBondContact O-N 2.96Å; Y188-C190 PolarHBondContact O-N 2.79Å |
| 191 | L | 83.8 | Confident | 88 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -110.5 | -14.2 | -173.1 | -66.1 | 173.9 | 0 | 0 | 0 | 113.5 | L158 M187 Y188 L195 | L158-L191 HydrophobicContact CB-CD1 4.18Å; L158-L191 HydrophobicContact CD1-CD1 4.17Å; L158-L191 HydrophobicContact CD1-CD2 4.13Å; L158-L191 HydrophobicContact CD1-CG 4.2Å; M187-L191 HydrophobicContact CE-CD1 4.39Å; M187-L191 VanDerWaalsContact O-CB 3.29Å; M187-L191 WeakPolarHBondContact O-CB 3.32Å; M187-L191 WeakPolarHBondContact O-CG 3.21Å; M187-L191 PolarHBondContact O-N 2.85Å; Y188-L191 PolarHBondContact O-N 2.82Å; L191-L195 HydrophobicContact CB-CB 3.89Å; L191-L195 HydrophobicContact CD1-CB 4.22Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CD2 4.41Å |
| 192 | G | 83.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 51 Ų | 51 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -154.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y188 K194 L195 | Y188-G192 WeakPolarHBondContact CD2-O 3.14Å; Y188-G192 VanDerWaalsContact CE2-C 3.46Å; Y188-G192 WeakPolarHBondContact CE2-O 3.23Å; Y188-G192 VanDerWaalsContact O-CA 3.27Å; Y188-G192 WeakPolarHBondContact O-CA 3.34Å; Y188-G192 PolarHBondContact O-N 3.33Å; G192-K194 PolarHBondContact O-N 3.11Å; G192-L195 PolarHBondContact O-N 2.91Å |
| 193 | D | 85.5 | Confident | 87.3 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.2 | -20.1 | -178.2 | -68 | -25.3 | 0 | 0 | 0 | 113.8 | Y188 L195 A196 L197 K221 | Y188-D193 PolarHBondContact OH-OD1 3.13Å; D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.1Å; D193-A196 PolarHBondContact O-N 3.3Å; D193-A196 VanDerWaalsContact O-N 3.13Å; D193-L197 WeakPolarHBondContact O-CG 3.41Å; D193-L197 PolarHBondContact O-N 3.33Å; D193-K221 IonicContact OD1-NZ 2.7Å; D193-K221 PolarHBondContact OD1-NZ 3.15Å; D193-K221 IonicContact OD2-NZ 2.89Å; D193-K221 PolarHBondContact OD2-NZ 2.8Å |
| 194 | K | 85.9 | Confident | 87 | Confident | 156 Ų | 156 | 58.6 Ų | 58.6 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | 172.8 | -172.8 | 176.6 | -179.3 | 176.2 | 0 | 112.1 | G192 D198 | G192-K194 PolarHBondContact O-N 3.11Å; K194-D198 WeakPolarHBondContact O-CB 3.48Å; K194-D198 PolarHBondContact O-N 3.42Å |
| 195 | L | 89.7 | Confident | 86.5 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 175.6 | 177.4 | 63.8 | 0 | 0 | 0 | 111.5 | V162 M187 L191 G192 D193 D198 I199 F217 | V162-L195 HydrophobicContact CB-CD1 4.3Å; V162-L195 HydrophobicContact CG1-CD1 3.76Å; V162-L195 HydrophobicContact CG2-CD1 3.45Å; V162-L195 VanDerWaalsContact CG2-CD1 3.45Å; M187-L195 HydrophobicContact CB-CD2 3.66Å; L191-L195 HydrophobicContact CB-CB 3.89Å; L191-L195 HydrophobicContact CD1-CB 4.22Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CD2 4.41Å; G192-L195 PolarHBondContact O-N 2.91Å; D193-L195 VanDerWaalsContact C-N 3.26Å; D193-L195 PolarHBondContact O-N 3.1Å; L195-D198 PolarHBondContact O-N 2.93Å; L195-I199 HydrophobicContact CD1-CD1 3.96Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.45Å; L195-F217 HydrophobicContact CD2-CZ 4.19Å |
| 196 | A | 88.2 | Confident | 85.8 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y188 D193 D198 I199 Q200 F214 F217 | Y188-A196 HydrophobicContact CE2-CB 4.32Å; D193-A196 PolarHBondContact O-N 3.3Å; D193-A196 VanDerWaalsContact O-N 3.13Å; A196-D198 PolarHBondContact O-N 2.98Å; A196-I199 PolarHBondContact O-N 3.42Å; A196-Q200 WeakPolarHBondContact O-CB 3.41Å; A196-Q200 PolarHBondContact O-N 3.19Å; A196-F214 HydrophobicContact CB-CD1 4.3Å; A196-F214 HydrophobicContact CB-CE1 3.87Å; A196-F217 HydrophobicContact CB-CD2 4.12Å; A196-F217 HydrophobicContact CB-CE2 4.32Å |
| 197 | L | 86.6 | Confident | 85.2 | Confident | 110 Ų | 110 | 69 Ų | 69 | 58% | 0.576 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 174.4 | -69.3 | 172.1 | 0 | 0 | 0 | 112.2 | D193 Q200 K201 | D193-L197 WeakPolarHBondContact O-CG 3.41Å; D193-L197 PolarHBondContact O-N 3.33Å; L197-Q200 PolarHBondContact O-N 3.39Å; L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.27Å |
| 198 | D | 85.7 | Confident | 84.4 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.219 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.7 | -113.1 | 22.8 | 0 | 0 | 0 | 112.2 | K194 L195 A196 K202 | K194-D198 WeakPolarHBondContact O-CB 3.48Å; K194-D198 PolarHBondContact O-N 3.42Å; L195-D198 PolarHBondContact O-N 2.93Å; A196-D198 PolarHBondContact O-N 2.98Å; D198-K202 VanDerWaalsContact CG-NZ 3.28Å; D198-K202 WeakPolarHBondContact O-CB 3.36Å; D198-K202 WeakPolarHBondContact O-CD 3.41Å; D198-K202 VanDerWaalsContact O-CG 3.32Å; D198-K202 WeakPolarHBondContact O-CG 3.08Å; D198-K202 PolarHBondContact O-N 3.47Å; D198-K202 VanDerWaalsContact O-N 3.08Å; D198-K202 IonicContact OD1-NZ 3.82Å; D198-K202 IonicContact OD2-NZ 3.98Å; D198-K202 PolarHBondContact OD2-NZ 3.42Å |
| 199 | I | 89.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.7 | -71.2 | 170.7 | 0 | 0 | 0 | 110.9 | V162 L184 L195 A196 Q203 L204 V205 L213 F214 F217 | V162-I199 HydrophobicContact CG1-CD1 4.25Å; V162-I199 HydrophobicContact CG1-CG1 3.74Å; L184-I199 HydrophobicContact CD2-CD1 4.37Å; L195-I199 HydrophobicContact CD1-CD1 3.96Å; L195-I199 HydrophobicContact CD1-CG1 4.24Å; L195-I199 HydrophobicContact CG-CD1 3.91Å; L195-I199 VanDerWaalsContact O-CG1 3.31Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.45Å; A196-I199 PolarHBondContact O-N 3.42Å; I199-Q203 PolarHBondContact O-N 3.49Å; I199-L204 PolarHBondContact O-N 3.41Å; I199-V205 HydrophobicContact CG2-CB 4.37Å; I199-V205 HydrophobicContact CG2-CG2 3.83Å; I199-L213 HydrophobicContact CD1-CD2 4.11Å; I199-F214 HydrophobicContact CG2-CZ 4.07Å; I199-F217 HydrophobicContact CD1-CE2 4.34Å; I199-F217 HydrophobicContact CD1-CZ 4.38Å |
| 200 | Q | 85.4 | Confident | 83.8 | Confident | 129 Ų | 129 | 74.5 Ų | 74.5 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.3 | -51.2 | -179.9 | -168.6 | 178.8 | 15.4 | 0 | 0 | 111.4 | A196 L197 K202 Q203 F214 | A196-Q200 WeakPolarHBondContact O-CB 3.41Å; A196-Q200 PolarHBondContact O-N 3.19Å; L197-Q200 PolarHBondContact O-N 3.39Å; Q200-K202 VanDerWaalsContact C-N 3.35Å; Q200-K202 PolarHBondContact O-N 3.11Å; Q200-Q203 PolarHBondContact O-N 2.92Å; Q200-Q203 VanDerWaalsContact O-N 3.16Å; Q200-F214 HydrophobicContact CB-CZ 4.39Å |
| 201 | K | 85.9 | Confident | 84 | Confident | 180 Ų | 180 | 74.1 Ų | 74.1 | 78% | 0.783 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -35.8 | -178.1 | -175.5 | 174.2 | -178.9 | 174.7 | 0 | 113 | L197 | L197-K201 WeakPolarHBondContact O-CB 3.42Å; L197-K201 PolarHBondContact O-N 3.27Å |
| 202 | K | 87 | Confident | 84 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 45% | 0.452 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.1 | 178.4 | -62.6 | 168.3 | -177.9 | 169.8 | 0 | 113.2 | D198 Q200 L204 | D198-K202 VanDerWaalsContact CG-NZ 3.28Å; D198-K202 WeakPolarHBondContact O-CB 3.36Å; D198-K202 WeakPolarHBondContact O-CD 3.41Å; D198-K202 VanDerWaalsContact O-CG 3.32Å; D198-K202 WeakPolarHBondContact O-CG 3.08Å; D198-K202 PolarHBondContact O-N 3.47Å; D198-K202 VanDerWaalsContact O-N 3.08Å; D198-K202 IonicContact OD1-NZ 3.82Å; D198-K202 IonicContact OD2-NZ 3.98Å; D198-K202 PolarHBondContact OD2-NZ 3.42Å; Q200-K202 VanDerWaalsContact C-N 3.35Å; Q200-K202 PolarHBondContact O-N 3.11Å; K202-L204 HydrophobicContact CB-CD1 4.03Å; K202-L204 HydrophobicContact CB-CD2 4.05Å; K202-L204 HydrophobicContact CB-CG 3.68Å; K202-L204 HydrophobicContact CD-CD1 4.29Å; K202-L204 PolarHBondContact O-N 3.17Å |
| 203 | Q | 83.2 | Confident | 84.4 | Confident | 171 Ų | 171 | 74 Ų | 74 | 80% | 0.799 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 41.1 | -179.9 | -59.3 | -174.2 | -1.1 | 0 | 0 | 113.8 | I199 Q200 V205 | I199-Q203 PolarHBondContact O-N 3.49Å; Q200-Q203 PolarHBondContact O-N 2.92Å; Q200-Q203 VanDerWaalsContact O-N 3.16Å; Q203-V205 VanDerWaalsContact C-N 3.28Å; Q203-V205 PolarHBondContact O-N 2.63Å |
| 204 | L | 85.1 | Confident | 84.6 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | trans | -75.3 | -12.8 | -169.6 | -65.3 | 174.6 | 0 | 0 | 0 | 114.5 | V162 P163 C166 I199 K202 | V162-L204 HydrophobicContact CG1-CD1 3.86Å; P163-L204 HydrophobicContact CB-CD1 4.39Å; P163-L204 HydrophobicContact CB-CD2 3.98Å; P163-L204 HydrophobicContact CG-CD1 4.12Å; P163-L204 HydrophobicContact CG-CD2 4.28Å; C166-L204 HydrophobicContact CB-CB 3.81Å; I199-L204 PolarHBondContact O-N 3.41Å; K202-L204 HydrophobicContact CB-CD1 4.03Å; K202-L204 HydrophobicContact CB-CD2 4.05Å; K202-L204 HydrophobicContact CB-CG 3.68Å; K202-L204 HydrophobicContact CD-CD1 4.29Å; K202-L204 PolarHBondContact O-N 3.17Å | ||
| 205 | V | 83.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -133.2 | 129.3 | -173.4 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | C166 L169 I199 Q203 H207 R209 A210 | C166-V205 HydrophobicContact CB-CG2 3.7Å; L169-V205 HydrophobicContact CD1-CB 4.42Å; L169-V205 HydrophobicContact CD1-CG1 3.74Å; L169-V205 HydrophobicContact CD1-CG2 3.71Å; I199-V205 HydrophobicContact CG2-CB 4.37Å; I199-V205 HydrophobicContact CG2-CG2 3.83Å; Q203-V205 VanDerWaalsContact C-N 3.28Å; Q203-V205 PolarHBondContact O-N 2.63Å; V205-H207 PolarHBondContact O-N 3.45Å; V205-R209 HydrophobicContact CG1-CB 3.73Å; V205-A210 HydrophobicContact CB-CB 4.24Å; V205-A210 HydrophobicContact CG1-CB 4.05Å |
| 206 | P | 77.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | trans | -57.6 | 136.8 | 173.6 | -24.5 | 34.2 | 0 | 0 | 0 | 111.5 | A208 R209 A210 | P206-A208 PolarHBondContact O-N 2.97Å; P206-A208 VanDerWaalsContact O-N 3.13Å; P206-R209 WeakPolarHBondContact O-CA 3.38Å; P206-R209 PolarHBondContact O-N 3.29Å; P206-A210 PolarHBondContact O-N 3.31Å; P206-A210 VanDerWaalsContact O-N 3.11Å | ||
| 207 | H | 74.7 | Confident | 85 | Confident | 163 Ų | 163 | 71.3 Ų | 71.3 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -45.9 | -50.2 | -167.8 | -168.3 | 75.5 | 0 | 0 | 0 | 114.5 | V205 R209 A210 A211 | V205-H207 PolarHBondContact O-N 3.45Å; H207-R209 PolarHBondContact O-N 2.97Å; H207-R209 VanDerWaalsContact O-N 3.08Å; H207-A210 WeakPolarHBondContact O-CA 3.34Å; H207-A210 WeakPolarHBondContact O-CB 3.45Å; H207-A210 PolarHBondContact O-N 3.45Å; H207-A211 PolarHBondContact O-N 3.08Å; H207-A211 VanDerWaalsContact O-N 3.1Å |
| 208 | A | 72.7 | Confident | 85 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.4 | -18 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P206 | P206-A208 PolarHBondContact O-N 2.97Å; P206-A208 VanDerWaalsContact O-N 3.13Å |
| 209 | R | 80.6 | Confident | 84.9 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -97.7 | -24.5 | 170.4 | -67.4 | -166.1 | -178.6 | 118 | -12.7 | 112.9 | L169 V205 P206 H207 L213 | L169-R209 WeakPolarHBondContact O-CD 3.32Å; L169-R209 PolarHBondContact O-NE 2.94Å; V205-R209 HydrophobicContact CG1-CB 3.73Å; P206-R209 WeakPolarHBondContact O-CA 3.38Å; P206-R209 PolarHBondContact O-N 3.29Å; H207-R209 PolarHBondContact O-N 2.97Å; H207-R209 VanDerWaalsContact O-N 3.08Å; R209-L213 PolarHBondContact O-N 3.4Å |
| 210 | A | 84.4 | Confident | 84.4 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V205 P206 H207 A212 L213 F214 | V205-A210 HydrophobicContact CB-CB 4.24Å; V205-A210 HydrophobicContact CG1-CB 4.05Å; P206-A210 PolarHBondContact O-N 3.31Å; P206-A210 VanDerWaalsContact O-N 3.11Å; H207-A210 WeakPolarHBondContact O-CA 3.34Å; H207-A210 WeakPolarHBondContact O-CB 3.45Å; H207-A210 PolarHBondContact O-N 3.45Å; A210-A212 PolarHBondContact O-N 2.84Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 2.86Å; A210-L213 VanDerWaalsContact O-N 3.08Å; A210-F214 HydrophobicContact CB-CD2 4.12Å; A210-F214 HydrophobicContact CB-CE2 3.77Å; A210-F214 WeakPolarHBondContact O-CD2 3.42Å; A210-F214 WeakPolarHBondContact O-CG 2.96Å; A210-F214 PolarHBondContact O-N 2.9Å |
| 211 | A | 84.5 | Confident | 84.2 | Confident | 37 Ų | 37 | 70 Ų | 70 | 31% | 0.306 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.5 | -51.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H207 L213 F214 S215 | H207-A211 PolarHBondContact O-N 3.08Å; H207-A211 VanDerWaalsContact O-N 3.1Å; A211-L213 VanDerWaalsContact C-N 3.26Å; A211-L213 PolarHBondContact O-N 3.09Å; A211-F214 PolarHBondContact O-N 3.44Å; A211-S215 VanDerWaalsContact O-CB 3.3Å; A211-S215 WeakPolarHBondContact O-CB 3.08Å; A211-S215 PolarHBondContact O-N 3.24Å |
| 212 | A | 85.4 | Confident | 83.7 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -27.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A210 | A210-A212 PolarHBondContact O-N 2.84Å |
| 213 | L | 91.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.8 | -46.9 | 174.4 | 179.4 | 67.7 | 0 | 0 | 0 | 111.4 | L169 T181 L184 I199 R209 A210 A211 S215 R216 F217 | L169-L213 HydrophobicContact CD1-CD2 4.19Å; T181-L213 HydrophobicContact CG2-CD1 4.11Å; L184-L213 HydrophobicContact CB-CD1 3.79Å; L184-L213 HydrophobicContact CB-CD2 4.46Å; L184-L213 HydrophobicContact CD1-CD1 4.18Å; L184-L213 HydrophobicContact CD1-CD2 3.85Å; I199-L213 HydrophobicContact CD1-CD2 4.11Å; R209-L213 PolarHBondContact O-N 3.4Å; A210-L213 WeakPolarHBondContact O-CB 3.39Å; A210-L213 PolarHBondContact O-N 2.86Å; A210-L213 VanDerWaalsContact O-N 3.08Å; A211-L213 VanDerWaalsContact C-N 3.26Å; A211-L213 PolarHBondContact O-N 3.09Å; L213-S215 VanDerWaalsContact C-N 3.35Å; L213-S215 PolarHBondContact O-N 3.49Å; L213-R216 WeakPolarHBondContact O-CB 3.45Å; L213-R216 PolarHBondContact O-N 3.41Å; L213-R216 VanDerWaalsContact O-N 3.14Å; L213-F217 HydrophobicContact CD1-CD1 4.31Å; L213-F217 HydrophobicContact CD1-CE1 3.55Å; L213-F217 HydrophobicContact CD1-CZ 3.82Å; L213-F217 HydrophobicContact CD2-CE1 4.49Å; L213-F217 HydrophobicContact CD2-CE2 4.36Å; L213-F217 HydrophobicContact CD2-CZ 3.92Å; L213-F217 HydrophobicContact CG-CD1 4.45Å; L213-F217 HydrophobicContact CG-CE1 3.84Å; L213-F217 HydrophobicContact CG-CE2 4.22Å; L213-F217 HydrophobicContact CG-CZ 3.72Å; L213-F217 WeakPolarHBondContact O-CD1 3.46Å; L213-F217 PolarHBondContact O-N 3.5Å |
| 214 | F | 91.2 | Very high | 81.7 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 179.2 | -65.3 | -48.4 | 0 | 0 | 0 | 112.1 | A196 I199 Q200 A210 A211 R216 F217 E218 | A196-F214 HydrophobicContact CB-CD1 4.3Å; A196-F214 HydrophobicContact CB-CE1 3.87Å; I199-F214 HydrophobicContact CG2-CZ 4.07Å; Q200-F214 HydrophobicContact CB-CZ 4.39Å; A210-F214 HydrophobicContact CB-CD2 4.12Å; A210-F214 HydrophobicContact CB-CE2 3.77Å; A210-F214 WeakPolarHBondContact O-CD2 3.42Å; A210-F214 WeakPolarHBondContact O-CG 2.96Å; A210-F214 PolarHBondContact O-N 2.9Å; A211-F214 PolarHBondContact O-N 3.44Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.49Å; F214-F217 AromaticContact CD1-CD2 3.78Å; F214-F217 HydrophobicContact CD1-CD2 3.78Å; F214-F217 HydrophobicContact CD1-CE2 4.13Å; F214-F217 HydrophobicContact CE1-CD2 4.27Å; F214-F217 HydrophobicContact CE1-CE2 4.23Å; F214-F217 WeakPolarHBondContact O-CB 3.35Å; F214-F217 PolarHBondContact O-N 2.93Å; F214-E218 PolarHBondContact O-N 3.16Å |
| 215 | S | 88.9 | Confident | 80.1 | Confident | 31 Ų | 31 | 66.8 Ų | 66.8 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.2 | -41.8 | 170.1 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | A211 L213 E218 D219 E1208 | A211-S215 VanDerWaalsContact O-CB 3.3Å; A211-S215 WeakPolarHBondContact O-CB 3.08Å; A211-S215 PolarHBondContact O-N 3.24Å; L213-S215 VanDerWaalsContact C-N 3.35Å; L213-S215 PolarHBondContact O-N 3.49Å; S215-E218 PolarHBondContact O-N 2.91Å; S215-D219 PolarHBondContact O-N 2.95Å; S215-E1208 WeakPolarHBondContact CB-OE1 3.31Å; S215-E1208 PolarHBondContact OG-OE1 2.96Å |
| 216 | R | 89.7 | Confident | 78.6 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 39% | 0.389 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.9 | -31.8 | 173 | -69.5 | -63 | -150.6 | 85.9 | 14.6 | 114.1 | T181 E182 V185 L213 F214 V220 | T181-R216 HydrophobicContact CG2-CG 4.48Å; E182-R216 IonicContact OE1-CZ 2.76Å; E182-R216 VanDerWaalsContact OE1-CZ 3.31Å; E182-R216 IonicContact OE1-NH1 2.86Å; E182-R216 PolarHBondContact OE1-NH1 3.47Å; E182-R216 IonicContact OE1-NH2 3.07Å; E182-R216 PolarHBondContact OE1-NH2 3.37Å; E182-R216 IonicContact OE2-NH1 2.72Å; V185-R216 HydrophobicContact CG2-CB 3.86Å; L213-R216 WeakPolarHBondContact O-CB 3.45Å; L213-R216 PolarHBondContact O-N 3.41Å; L213-R216 VanDerWaalsContact O-N 3.14Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.49Å; R216-V220 PolarHBondContact O-N 3.27Å |
| 217 | F | 92.1 | Very high | 76.8 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.013 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 173.5 | -69.3 | -0.9 | 0 | 0 | 0 | 110.6 | L184 V185 Y188 L195 A196 I199 L213 F214 D219 V220 K221 | L184-F217 HydrophobicContact CB-CE1 4.34Å; L184-F217 HydrophobicContact CB-CZ 4.25Å; L184-F217 WeakPolarHBondContact O-CE1 3.45Å; V185-F217 HydrophobicContact CG2-CD1 4.08Å; V185-F217 HydrophobicContact CG2-CE1 4.05Å; Y188-F217 HydrophobicContact CD1-CB 3.78Å; Y188-F217 AromaticContact CD1-CD1 3.99Å; Y188-F217 HydrophobicContact CD1-CD1 3.99Å; Y188-F217 HydrophobicContact CD1-CD2 4.45Å; Y188-F217 AromaticContact CD1-CG 3.83Å; Y188-F217 HydrophobicContact CD1-CG 3.83Å; Y188-F217 HydrophobicContact CD2-CB 4.12Å; Y188-F217 HydrophobicContact CD2-CD1 4.24Å; Y188-F217 AromaticContact CD2-CD2 3.44Å; Y188-F217 HydrophobicContact CD2-CD2 3.44Å; Y188-F217 VanDerWaalsContact CD2-CD2 3.44Å; Y188-F217 AromaticContact CD2-CE2 3.81Å; Y188-F217 HydrophobicContact CD2-CE2 3.81Å; Y188-F217 AromaticContact CD2-CG 3.69Å; Y188-F217 HydrophobicContact CD2-CG 3.69Å; Y188-F217 HydrophobicContact CD2-CZ 4.34Å; Y188-F217 HydrophobicContact CE1-CB 3.71Å; Y188-F217 HydrophobicContact CE1-CG 4.22Å; Y188-F217 WeakPolarHBondContact CE1-O 3.42Å; Y188-F217 HydrophobicContact CE2-CB 4.04Å; Y188-F217 AromaticContact CE2-CD2 3.85Å; Y188-F217 HydrophobicContact CE2-CD2 3.85Å; Y188-F217 HydrophobicContact CE2-CG 4.09Å; Y188-F217 HydrophobicContact CG-CB 4Å; Y188-F217 AromaticContact CG-CD1 3.7Å; Y188-F217 HydrophobicContact CG-CD1 3.7Å; Y188-F217 AromaticContact CG-CD2 3.79Å; Y188-F217 HydrophobicContact CG-CD2 3.79Å; Y188-F217 HydrophobicContact CG-CE1 4.06Å; Y188-F217 HydrophobicContact CG-CE2 4.15Å; Y188-F217 AromaticContact CG-CG 3.56Å; Y188-F217 HydrophobicContact CG-CG 3.56Å; Y188-F217 HydrophobicContact CG-CZ 4.27Å; L195-F217 HydrophobicContact CD2-CZ 4.19Å; A196-F217 HydrophobicContact CB-CD2 4.12Å; A196-F217 HydrophobicContact CB-CE2 4.32Å; I199-F217 HydrophobicContact CD1-CE2 4.34Å; I199-F217 HydrophobicContact CD1-CZ 4.38Å; L213-F217 HydrophobicContact CD1-CD1 4.31Å; L213-F217 HydrophobicContact CD1-CE1 3.55Å; L213-F217 HydrophobicContact CD1-CZ 3.82Å; L213-F217 HydrophobicContact CD2-CE1 4.49Å; L213-F217 HydrophobicContact CD2-CE2 4.36Å; L213-F217 HydrophobicContact CD2-CZ 3.92Å; L213-F217 HydrophobicContact CG-CD1 4.45Å; L213-F217 HydrophobicContact CG-CE1 3.84Å; L213-F217 HydrophobicContact CG-CE2 4.22Å; L213-F217 HydrophobicContact CG-CZ 3.72Å; L213-F217 WeakPolarHBondContact O-CD1 3.46Å; L213-F217 PolarHBondContact O-N 3.5Å; F214-F217 AromaticContact CD1-CD2 3.78Å; F214-F217 HydrophobicContact CD1-CD2 3.78Å; F214-F217 HydrophobicContact CD1-CE2 4.13Å; F214-F217 HydrophobicContact CE1-CD2 4.27Å; F214-F217 HydrophobicContact CE1-CE2 4.23Å; F214-F217 WeakPolarHBondContact O-CB 3.35Å; F214-F217 PolarHBondContact O-N 2.93Å; F217-D219 PolarHBondContact O-N 3.28Å; F217-V220 WeakPolarHBondContact O-CB 3.42Å; F217-V220 PolarHBondContact O-N 2.97Å; F217-K221 PolarHBondContact O-N 2.64Å |
| 218 | E | 86.8 | Confident | 75 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 174.4 | -74.6 | -61.3 | 134 | 0 | 0 | 112.6 | F214 S215 V220 K221 R222 | F214-E218 PolarHBondContact O-N 3.16Å; S215-E218 PolarHBondContact O-N 2.91Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.11Å; E218-K221 WeakPolarHBondContact O-CB 3.15Å; E218-K221 PolarHBondContact O-N 3.36Å; E218-K221 VanDerWaalsContact O-N 3.17Å; E218-K221 WeakPolarHBondContact OE1-CD 3.47Å; E218-K221 IonicContact OE1-NZ 3.04Å; E218-R222 WeakPolarHBondContact O-CG 3.35Å; E218-R222 PolarHBondContact O-N 3.13Å |
| 219 | D | 83.3 | Confident | 73 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 172.3 | -72.2 | -22.4 | 0 | 0 | 0 | 112.4 | S215 F217 R222 S223 | S215-D219 PolarHBondContact O-N 2.95Å; F217-D219 PolarHBondContact O-N 3.28Å; D219-R222 IonicContact OD1-CZ 3.61Å; D219-R222 IonicContact OD1-NH1 3.06Å; D219-R222 PolarHBondContact OD1-NH1 2.76Å; D219-S223 WeakPolarHBondContact O-CB 3.4Å; D219-S223 PolarHBondContact O-N 3.25Å; D219-S223 VanDerWaalsContact O-N 3.12Å; D219-S223 PolarHBondContact O-OG 3.35Å |
| 220 | V | 80.8 | Confident | 70.7 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.6 | -38 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | V185 Y188 V189 R216 F217 E218 S223 N225 V226 | V185-V220 HydrophobicContact CG1-CG2 3.64Å; Y188-V220 HydrophobicContact CD1-CB 4.41Å; Y188-V220 HydrophobicContact CD1-CG1 4.27Å; Y188-V220 HydrophobicContact CE1-CG1 4.44Å; V189-V220 HydrophobicContact CG2-CG1 3.7Å; R216-V220 PolarHBondContact O-N 3.27Å; F217-V220 WeakPolarHBondContact O-CB 3.42Å; F217-V220 PolarHBondContact O-N 2.97Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.11Å; V220-S223 WeakPolarHBondContact CA-OG 3.44Å; V220-S223 PolarHBondContact O-N 3.33Å; V220-S223 PolarHBondContact O-OG 2.92Å; V220-S223 VanDerWaalsContact O-OG 3.11Å; V220-N225 HydrophobicContact CG1-CB 4.43Å; V220-N225 PolarHBondContact O-N 2.59Å; V220-V226 HydrophobicContact CG1-CG2 3.92Å |
| 221 | K | 80.2 | Confident | 68.1 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.6 | -158.7 | 171.8 | -166 | 155.7 | 0 | 111.8 | D193 F217 E218 S223 G224 | D193-K221 IonicContact OD1-NZ 2.7Å; D193-K221 PolarHBondContact OD1-NZ 3.15Å; D193-K221 IonicContact OD2-NZ 2.89Å; D193-K221 PolarHBondContact OD2-NZ 2.8Å; F217-K221 PolarHBondContact O-N 2.64Å; E218-K221 WeakPolarHBondContact O-CB 3.15Å; E218-K221 PolarHBondContact O-N 3.36Å; E218-K221 VanDerWaalsContact O-N 3.17Å; E218-K221 WeakPolarHBondContact OE1-CD 3.47Å; E218-K221 IonicContact OE1-NZ 3.04Å; K221-S223 PolarHBondContact O-N 3.42Å; K221-G224 PolarHBondContact O-N 3.4Å |
| 222 | R | 76.4 | Confident | 65.5 | Low | 176 Ų | 176 | 81.4 Ų | 81.4 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.4 | -30.6 | 176.4 | -68.5 | 179.7 | -148.3 | 138.6 | 6.6 | 113.7 | E218 D219 G224 | E218-R222 WeakPolarHBondContact O-CG 3.35Å; E218-R222 PolarHBondContact O-N 3.13Å; D219-R222 IonicContact OD1-CZ 3.61Å; D219-R222 IonicContact OD1-NH1 3.06Å; D219-R222 PolarHBondContact OD1-NH1 2.76Å; R222-G224 PolarHBondContact O-N 3.08Å |
| 223 | S | 69.7 | Low | 62.6 | Low | 76 Ų | 76 | 89.6 Ų | 89.6 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.5 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | D219 V220 K221 N225 | D219-S223 WeakPolarHBondContact O-CB 3.4Å; D219-S223 PolarHBondContact O-N 3.25Å; D219-S223 VanDerWaalsContact O-N 3.12Å; D219-S223 PolarHBondContact O-OG 3.35Å; V220-S223 WeakPolarHBondContact CA-OG 3.44Å; V220-S223 PolarHBondContact O-N 3.33Å; V220-S223 PolarHBondContact O-OG 2.92Å; V220-S223 VanDerWaalsContact O-OG 3.11Å; K221-S223 PolarHBondContact O-N 3.42Å; S223-N225 PolarHBondContact O-N 2.86Å |
| 224 | G | 57.3 | Low | 59.5 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 10.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K221 R222 V226 | K221-G224 PolarHBondContact O-N 3.4Å; R222-G224 PolarHBondContact O-N 3.08Å; G224-V226 PolarHBondContact O-N 2.98Å |
| 225 | N | 52.4 | Low | 56.6 | Low | 114 Ų | 114 | 97.2 Ų | 97.2 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | trans | -89.5 | 7.6 | -171.9 | -106.9 | 4.4 | 0 | 0 | 0 | 114.3 | V220 S223 D227 | V220-N225 HydrophobicContact CG1-CB 4.43Å; V220-N225 PolarHBondContact O-N 2.59Å; S223-N225 PolarHBondContact O-N 2.86Å; N225-D227 PolarHBondContact O-N 3.03Å; N225-D227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | V | 51.5 | Low | 53.7 | Low | 29 Ų | 29 | 104 Ų | 104 | 18% | 0.176 | 56% | 0.561 | C | S | . | * | trans | -83.2 | 87 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | Y188 V220 G224 L228 | Y188-V226 HydrophobicContact CE1-CG2 4.24Å; V220-V226 HydrophobicContact CG1-CG2 3.92Å; G224-V226 PolarHBondContact O-N 2.98Å; V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 HydrophobicContact CG1-CD2 4.4Å; V226-L228 HydrophobicContact CG1-CG 4.15Å; V226-L228 PolarHBondContact O-N 3.48Å | ||
| 227 | D | 39.3 | Very low | 50.9 | Low | 98 Ų | 98 | 106.1 Ų | 106.1 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | trans | -76 | 80.9 | -174.3 | -160.6 | -7.2 | 0 | 0 | 0 | 111.7 | N225 T229 | N225-D227 PolarHBondContact O-N 3.03Å; N225-D227 VanDerWaalsContact O-N 3.15Å; D227-T229 PolarHBondContact O-N 3Å; D227-T229 WeakPolarHBondContact OD1-CB 3.39Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.36Å; D227-T229 PolarHBondContact OD1-OG1 3.35Å | ||
| 228 | L | 37.8 | Very low | 48 | Very low | 138 Ų | 138 | 110 Ų | 110 | 72% | 0.723 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 15.2 | -178.4 | -73.9 | 164.1 | 0 | 0 | 0 | 114.5 | V226 | V226-L228 VanDerWaalsContact C-N 3.32Å; V226-L228 HydrophobicContact CG1-CD2 4.4Å; V226-L228 HydrophobicContact CG1-CG 4.15Å; V226-L228 PolarHBondContact O-N 3.48Å |
| 229 | T | 29.9 | Very low | 45.2 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -1.6 | -160.4 | 72 | 0 | 0 | 0 | 0 | 116.4 | D227 | D227-T229 PolarHBondContact O-N 3Å; D227-T229 WeakPolarHBondContact OD1-CB 3.39Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.36Å; D227-T229 PolarHBondContact OD1-OG1 3.35Å |
| 230 | L | 32.7 | Very low | 42.6 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -104.1 | 2.5 | -173.2 | -83.2 | 160 | 0 | 0 | 0 | 116.4 | ||
| 231 | S | 29.7 | Very low | 40 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -115.3 | 3.6 | -175.9 | 51.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 232 | N | 28.9 | Very low | 37.6 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -141.4 | 26.4 | -171.2 | -140.4 | 12 | 0 | 0 | 0 | 116.2 | S234 | N232-S234 PolarHBondContact O-N 3.26Š| ||
| 233 | R | 25.4 | Very low | 35.2 | Very low | 234 Ų | 234 | 116.7 Ų | 116.7 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -96.7 | 34.9 | -173.1 | -131.9 | 177.7 | -167.6 | -141.1 | 3.2 | 115.1 | ||||
| 234 | S | 26.7 | Very low | 33.3 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -155.2 | 66.6 | 175.9 | -75.1 | 0 | 0 | 0 | 0 | 114 | N232 | N232-S234 PolarHBondContact O-N 3.26Š|
| 235 | S | 29.3 | Very low | 31.9 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | trans | -179.2 | 80.9 | 149.1 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | N237 | S235-N237 PolarHBondContact O-N 3.02Š| ||
| 236 | N | 27.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -82.5 | 86 | 155.8 | -92.6 | 5.1 | 0 | 0 | 0 | 108.4 | ||||
| 237 | N | 31.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -166.2 | 131.4 | 142.7 | -119.9 | -7.1 | 0 | 0 | 0 | 113.8 | S235 | S235-N237 PolarHBondContact O-N 3.02Š| ||
| 238 | S | 31.1 | Very low | 29 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | 47.3 | 108.4 | 147.9 | 62 | 0 | 0 | 0 | 0 | 121 | ||||
| 239 | N | 28.1 | Very low | 28.8 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | 79.6 | 151 | 126.3 | -61.4 | -7.6 | 0 | 0 | 0 | 121.9 | |||||
| 240 | S | 29.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 99.1 | 160.9 | 38.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 241 | S | 26.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 53.6 | 134.9 | 110.7 | -45.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 242 | S | 29.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 80 | 97 | 147.5 | -54.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 243 | S | 25.7 | Very low | 28.6 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | 46.5 | 134.7 | 119.2 | 60.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 244 | D | 29.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 99 | 123.7 | 143.6 | -63.2 | -27.2 | 0 | 0 | 0 | 121.3 | ||||
| 245 | L | 28.3 | Very low | 29 | Very low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 65.7 | 109.2 | 132.4 | -69.9 | 172.6 | 0 | 0 | 0 | 119.5 | ||||
| 246 | L | 28.9 | Very low | 28.8 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | 155.4 | 173.7 | 91.8 | -100.6 | 160.4 | 0 | 0 | 0 | 114.6 | |||||
| 247 | Y | 25.3 | Very low | 28.9 | Very low | 218 Ų | 218 | 131.3 Ų | 131.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -118.5 | 129.7 | -169.1 | 174.5 | -81.7 | 0 | 0 | 0 | 108.6 | ||||
| 248 | A | 27.7 | Very low | 28.5 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | 160.1 | 154 | 143.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 249 | S | 32.6 | Very low | 28.3 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 67.7 | 99.3 | 148.9 | -62.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 250 | H | 27.9 | Very low | 28.2 | Very low | 171 Ų | 171 | 141 Ų | 141 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | 37 | 139.5 | 112.2 | -95 | -96 | 0 | 0 | 0 | 123.3 | |||||
| 251 | D | 27.9 | Very low | 28 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | 57.3 | 110.2 | 151.3 | -70 | -48.9 | 0 | 0 | 0 | 120.5 | ||||
| 252 | S | 31.8 | Very low | 28 | Very low | 125 Ų | 125 | 142 Ų | 142 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | -165.2 | 153.7 | 112.8 | -80.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 253 | T | 30.9 | Very low | 27.7 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -88.5 | 173.2 | -172 | 55.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 254 | D | 29.2 | Very low | 27.7 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 64 | 97.2 | 154.6 | -53.9 | -46.4 | 0 | 0 | 0 | 119.7 | ||||
| 255 | R | 29.8 | Very low | 27.5 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | -174.4 | 122.8 | 102.8 | -101 | 168.6 | 174.8 | -179.4 | -1.3 | 115.1 | |||||
| 256 | A | 27 | Very low | 27.3 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | 14.7 | 114.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 257 | G | 28 | Very low | 27 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -163.3 | 59.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 258 | R | 24.4 | Very low | 27.1 | Very low | 245 Ų | 245 | 136.6 Ų | 136.6 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | 54.5 | 90.9 | 168.2 | -61.4 | -177.2 | -179.8 | -167.3 | 0.4 | 117.5 | ||||
| 259 | Y | 25.9 | Very low | 27.1 | Very low | 218 Ų | 218 | 139.1 Ų | 139.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -108.9 | 130.3 | 150.3 | -66.5 | -80.6 | 0 | 0 | 0 | 109.2 | T261 | Y259-T261 PolarHBondContact O-N 3.5Š| ||
| 260 | P | 26.2 | Very low | 26.7 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -78.2 | 112 | 176.4 | 28.6 | -29.8 | 0 | 0 | 0 | 111 | ||||
| 261 | T | 25.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -88.9 | 132.1 | 160.5 | 39.3 | 0 | 0 | 0 | 0 | 109.7 | Y259 | Y259-T261 PolarHBondContact O-N 3.5Š| ||
| 262 | S | 26.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | trans | 176.2 | 157.3 | 154.2 | 31.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 263 | C | 24.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 133 Ų | 133 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 44.1 | 108.3 | 164.5 | 57.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 264 | V | 24.7 | Very low | 26.4 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | cis | 46.3 | 118.3 | 42.8 | -163.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 265 | S | 24.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 87.6 | 109.4 | 175.2 | -49.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 266 | N | 23.7 | Very low | 25.9 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 28.8 | 138.2 | 148.2 | -70.1 | 5 | 0 | 0 | 0 | 123.1 | ||||
| 267 | T | 23.4 | Very low | 25.9 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 50% | 0.503 | 73% | 0.731 | S | S | . | * | trans | 80.7 | 58.5 | 145 | 65.3 | 0 | 0 | 0 | 0 | 122.5 | D549 | T267-D549 WeakPolarHBondContact CG2-OD1 2.99Å; T267-D549 WeakPolarHBondContact CG2-OD2 3.49Å | ||
| 268 | F | 26.3 | Very low | 25.9 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | -132.3 | 115.8 | 153 | -96.6 | -106.6 | 0 | 0 | 0 | 109.8 | ||||
| 269 | K | 28.4 | Very low | 26 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | 74.7 | 109.7 | 74.8 | -69.7 | 177.6 | -152.8 | 156.9 | 0 | 113.9 | |||||
| 270 | K | 25 | Very low | 25.9 | Very low | 91 Ų | 91 | 124 Ų | 124 | 40% | 0.396 | 73% | 0.728 | S | S | . | * | 8.2 | 163.2 | 122.2 | -106.2 | -168.2 | 176.9 | -168.8 | 0 | 117.8 | R507 Q508 | K270-R507 HydrophobicContact CD-CB 4.28Å; K270-Q508 HydrophobicContact CD-CG 4.24Å; K270-Q508 VanDerWaalsContact NZ-CD 3.31Å | |||
| 271 | P | 31 | Very low | 26.2 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 57% | 0.565 | 72% | 0.718 | S | S | * | * | cis | -152.7 | -158.6 | 16.5 | 24.3 | 6.4 | 0 | 0 | 0 | 117.5 | ||||
| 272 | V | 27.1 | Very low | 26.2 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | 84.3 | 154.8 | 149 | -107 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 273 | P | 26.2 | Very low | 26.1 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | -127.3 | 170 | -99 | 43.4 | -28.5 | 0 | 0 | 0 | 114.1 | |||||
| 274 | V | 27.5 | Very low | 26.2 | Very low | 149 Ų | 149 | 115.4 Ų | 115.4 | 90% | 0.903 | 68% | 0.679 | S | S | * | * | trans | -121.2 | 136.2 | 159.1 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 275 | K | 27.1 | Very low | 26.2 | Very low | 181 Ų | 181 | 113.7 Ų | 113.7 | 79% | 0.787 | 67% | 0.673 | S | S | * | * | trans | -82.8 | 153.7 | -170 | -62 | 168.8 | 179.7 | 175 | 0 | 111.3 | ||||
| 276 | T | 22.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | trans | -51.1 | 142.2 | 160 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 277 | P | 26.3 | Very low | 26.3 | Very low | 117 Ų | 117 | 112.2 Ų | 112.2 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | -107.3 | 114.6 | 124 | 31.8 | -26.6 | 0 | 0 | 0 | 107.6 | |||||
| 278 | V | 26.9 | Very low | 26.4 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 78% | 0.782 | 69% | 0.685 | S | S | * | * | 59.9 | 103.8 | 83.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 279 | V | 26.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 112.6 Ų | 112.6 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -68.7 | 136.3 | 171.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 280 | S | 24.2 | Very low | 26.3 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -171.9 | 153.7 | 142.4 | -84.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 281 | P | 32.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | -127.3 | 176.3 | -127.5 | 41.9 | -30.6 | 0 | 0 | 0 | 117.2 | |||||
| 282 | A | 25.1 | Very low | 26 | Very low | 67 Ų | 67 | 118.8 Ų | 118.8 | 55% | 0.554 | 71% | 0.706 | S | S | * | * | trans | 67.7 | 155.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1088 S1089 | A282-G1088 CarbonylContact C-O 3.6Å; A282-G1088 WeakPolarHBondContact CA-O 3.36Å; A282-G1088 WeakPolarHBondContact CB-O 3.41Å; A282-S1089 WeakPolarHBondContact O-CB 3.27Å; A282-S1089 PolarHBondContact O-OG 3.22Å | ||
| 283 | S | 25.6 | Very low | 26 | Very low | 68 Ų | 68 | 116.3 Ų | 116.3 | 48% | 0.476 | 70% | 0.699 | S | S | . | * | cis | -135.5 | 128.6 | 26.1 | 41.8 | 0 | 0 | 0 | 0 | 115.6 | L1085 G1088 | S283-L1085 WeakPolarHBondContact CB-O 3.43Å; S283-G1088 WeakPolarHBondContact CB-O 3.42Å; S283-G1088 PolarHBondContact N-O 2.8Å | ||
| 284 | S | 26.7 | Very low | 25.9 | Very low | 60 Ų | 60 | 113.1 Ų | 113.1 | 42% | 0.42 | 68% | 0.681 | S | S | . | * | 50.9 | 150.9 | 121.9 | -38.2 | 0 | 0 | 0 | 0 | 124.5 | L1085 | S284-L1085 WeakPolarHBondContact CB-O 3.44Å; S284-L1085 WeakPolarHBondContact OG-CA 3.19Å; S284-L1085 PolarHBondContact OG-O 3.13Å | |||
| 285 | S | 24.8 | Very low | 25.8 | Very low | 94 Ų | 94 | 107.2 Ų | 107.2 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | trans | 78.1 | 127.2 | 173 | -49.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 286 | C | 25.3 | Very low | 25.8 | Very low | 111 Ų | 111 | 103.1 Ų | 103.1 | 75% | 0.75 | 65% | 0.646 | S | S | * | * | cis | -145.9 | 130.4 | 15.4 | 53.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 287 | S | 24.5 | Very low | 26 | Very low | 102 Ų | 102 | 102.5 Ų | 102.5 | 71% | 0.713 | 65% | 0.645 | S | S | * | * | 66.9 | 121.3 | 73.1 | 82.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 288 | S | 24.8 | Very low | 26 | Very low | 114 Ų | 114 | 103 Ų | 103 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | 75.6 | 146.6 | 172.6 | -39.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 289 | I | 28.3 | Very low | 26 | Very low | 158 Ų | 158 | 104.1 Ų | 104.1 | 81% | 0.81 | 65% | 0.647 | S | S | * | * | cis | -144.6 | 122.1 | 33.7 | -78.7 | 176.8 | 0 | 0 | 0 | 112 | ||||
| 290 | N | 25.4 | Very low | 26 | Very low | 141 Ų | 141 | 108 Ų | 108 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | trans | -23.1 | 163.4 | 142.3 | -101.2 | -39.1 | 0 | 0 | 0 | 119.3 | ||||
| 291 | K | 25.8 | Very low | 26.1 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | trans | 62.1 | 86.3 | 158.5 | -62.9 | 179.6 | -172.9 | -169 | 0 | 117.7 | E1257 | K291-E1257 IonicContact NZ-OE1 3.31Å; K291-E1257 PolarHBondContact NZ-OE1 3.23Å | ||
| 292 | R | 24.4 | Very low | 25.7 | Very low | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | 14.2 | 111.7 | 106.8 | -95.7 | 166.1 | 149.8 | -165.4 | -11 | 114.8 | Q1332 Q1333 | R292-Q1332 PolarHBondContact NH1-O 3.34Å; R292-Q1332 VanDerWaalsContact NH1-O 3.1Å; R292-Q1332 PolarHBondContact NH2-O 3.5Å; R292-Q1333 HydrophobicContact CB-CB 3.82Å; R292-Q1333 HydrophobicContact CB-CG 3.71Å; R292-Q1333 WeakPolarHBondContact CD-O 3.47Å; R292-Q1333 HydrophobicContact CG-CB 4.23Å; R292-Q1333 HydrophobicContact CG-CG 3.85Å; R292-Q1333 PolarHBondContact NH1-O 3.37Å; R292-Q1333 PolarHBondContact O-OE1 3.4Å | |||
| 293 | A | 25.8 | Very low | 25.9 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | trans | -151.3 | 119.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 294 | A | 24.8 | Very low | 25.9 | Very low | 35 Ų | 35 | 120.1 Ų | 120.1 | 29% | 0.289 | 67% | 0.669 | S | S | . | * | trans | -102.7 | 114.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1326 | A294-Y1326 WeakPolarHBondContact O-CE1 3.39Š| ||
| 295 | S | 25.1 | Very low | 26 | Very low | 25 Ų | 25 | 119.8 Ų | 119.8 | 18% | 0.175 | 67% | 0.667 | C | S | . | * | trans | -174.5 | 125.8 | 138.3 | 56 | 0 | 0 | 0 | 0 | 116.6 | K1290 Y1326 | S295-K1290 PolarHBondContact O-NZ 3.25Å; S295-K1290 VanDerWaalsContact OG-CD 3.28Å; S295-K1290 WeakPolarHBondContact OG-CD 3.45Å; S295-K1290 WeakPolarHBondContact OG-CE 3.37Å; S295-Y1326 VanDerWaalsContact CB-CZ 3.46Å; S295-Y1326 WeakPolarHBondContact CB-OH 3.42Å; S295-Y1326 VanDerWaalsContact OG-CE1 3.29Å; S295-Y1326 WeakPolarHBondContact OG-CE1 3.38Å; S295-Y1326 PolarHBondContact OG-OH 3.43Å | ||
| 296 | A | 26.7 | Very low | 26.3 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -152.1 | 146.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 297 | P | 26.4 | Very low | 26.5 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | trans | -74.8 | 159.1 | -173.1 | 30.8 | -35.4 | 0 | 0 | 0 | 112.8 | M299 | P297-M299 PolarHBondContact O-N 3.25Š| ||
| 298 | P | 26.1 | Very low | 26.7 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | trans | -78 | 92.8 | -171.7 | 31.8 | -35.6 | 0 | 0 | 0 | 112.3 | K300 | P298-K300 PolarHBondContact O-N 3.42Š| ||
| 299 | M | 27.7 | Very low | 26.9 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | trans | -79.2 | 101.4 | 164.1 | -74.6 | -159.7 | 78.6 | 0 | 0 | 110.8 | P297 R301 | P297-M299 PolarHBondContact O-N 3.25Å; M299-R301 PolarHBondContact O-N 2.82Å | ||
| 300 | K | 25.7 | Very low | 27 | Very low | 212 Ų | 212 | 120.3 Ų | 120.3 | 92% | 0.922 | 64% | 0.642 | S | S | * | * | trans | -60.3 | 98.3 | 158.2 | -73.1 | 177.5 | 175.1 | 177.2 | 0 | 109.1 | P298 | P298-K300 PolarHBondContact O-N 3.42Š| ||
| 301 | R | 26.6 | Very low | 27.2 | Very low | 193 Ų | 193 | 116.7 Ų | 116.7 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | trans | -145.7 | 119.2 | 162.2 | -171.2 | 164 | -86.5 | 176.3 | -7.5 | 110.4 | M299 Q303 | M299-R301 PolarHBondContact O-N 2.82Å; R301-Q303 PolarHBondContact O-N 3.37Å | ||
| 302 | M | 24.5 | Very low | 27.4 | Very low | 188 Ų | 188 | 114.4 Ų | 114.4 | 93% | 0.926 | 62% | 0.616 | S | S | * | * | trans | -59.7 | 116.8 | 170.4 | -70.7 | 155.9 | 50 | 0 | 0 | 109.5 | ||||
| 303 | Q | 29.8 | Very low | 27.5 | Very low | 143 Ų | 143 | 111 Ų | 111 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | trans | -138.1 | 124 | 158.1 | -72.8 | -166.4 | -64.2 | 0 | 0 | 110.3 | R301 | R301-Q303 PolarHBondContact O-N 3.37Š| ||
| 304 | T | 25.4 | Very low | 27.7 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 48% | 0.479 | 63% | 0.629 | S | S | . | * | trans | -77.4 | 172.8 | 171 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | Q175 | Q175-T304 VanDerWaalsContact CD-O 3.29Å; Q175-T304 PolarHBondContact NE2-O 3.17Å; Q175-T304 PolarHBondContact OE1-O 2.85Å | ||
| 305 | S | 27.6 | Very low | 27.9 | Very low | 54 Ų | 54 | 120.1 Ų | 120.1 | 38% | 0.378 | 65% | 0.645 | S | S | . | * | trans | 64.2 | 77.5 | 179.5 | -76.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 306 | S | 31 | Very low | 28.3 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -173.5 | 67.9 | 140.1 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 307 | R | 30.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 120.1 Ų | 120.1 | 68% | 0.683 | 63% | 0.631 | S | S | * | * | trans | -143 | 3.1 | -172.2 | -98.1 | -164.4 | -81.6 | 156.4 | -7.4 | 115.7 | L311 | R307-L311 HydrophobicContact CB-CD1 4.42Å; R307-L311 HydrophobicContact CG-CD1 4.05Å | ||
| 308 | Y | 28 | Very low | 28.8 | Very low | 120 Ų | 120 | 120 Ų | 120 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -99.9 | -13.3 | -164.6 | -87.2 | -69.1 | 0 | 0 | 0 | 116.3 | E97 Q101 | E97-Y308 PolarHBondContact OE1-OH 3.03Å; Q101-Y308 PolarHBondContact NE2-OH 3Å; Q101-Y308 VanDerWaalsContact NE2-OH 3.15Å |
| 309 | T | 30 | Very low | 29.2 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -113.5 | -37.8 | -170.9 | 40.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 310 | A | 29.7 | Very low | 29.7 | Very low | 88 Ų | 88 | 117 Ų | 117 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -97.4 | 2.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 311 | L | 30.3 | Very low | 30.3 | Very low | 65 Ų | 65 | 108.1 Ų | 108.1 | 34% | 0.34 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -100.5 | -5.9 | -165.3 | -89.5 | 177.9 | 0 | 0 | 0 | 116.8 | R307 R315 | R307-L311 HydrophobicContact CB-CD1 4.42Å; R307-L311 HydrophobicContact CG-CD1 4.05Å; L311-R315 HydrophobicContact CD2-CG 4.33Å |
| 312 | L | 29 | Very low | 30.5 | Very low | 91 Ų | 91 | 102.9 Ų | 102.9 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -82.7 | -43.4 | -176.5 | -80.2 | 167.4 | 0 | 0 | 0 | 113.6 | S575 S576 | L312-S575 WeakPolarHBondContact CD1-OG 3.48Å; L312-S576 WeakPolarHBondContact CD1-OG 3.33Å |
| 313 | A | 27.1 | Very low | 31 | Very low | 93 Ų | 93 | 95.4 Ų | 95.4 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -32.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 314 | N | 28.5 | Very low | 31.4 | Very low | 140 Ų | 140 | 93.3 Ų | 93.3 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 5.7 | -166.1 | -111.5 | -14.8 | 0 | 0 | 0 | 115.4 | ||
| 315 | R | 30.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 92.2 Ų | 92.2 | 61% | 0.611 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -98.8 | -10.5 | -178.1 | -108.4 | -172.9 | -171.4 | 175.6 | 9.7 | 115.7 | L311 T317 | L311-R315 HydrophobicContact CD2-CG 4.33Å; R315-T317 VanDerWaalsContact C-N 3.27Å; R315-T317 PolarHBondContact O-N 3.09Å |
| 316 | L | 32.6 | Very low | 34.7 | Very low | 73 Ų | 73 | 91.1 Ų | 91.1 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -73.4 | -15.4 | -170.1 | -67.4 | 162.7 | 0 | 0 | 0 | 113.9 | E503 | L316-E503 VanDerWaalsContact CD1-OE1 3.27Å; L316-E503 WeakPolarHBondContact CD1-OE1 3.38Å; L316-E503 WeakPolarHBondContact CD2-OE1 3.24Å |
| 317 | T | 33 | Very low | 36.5 | Very low | 46 Ų | 46 | 86.1 Ų | 86.1 | 28% | 0.282 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -106.6 | -27.3 | -173.1 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | R315 E329 | R315-T317 VanDerWaalsContact C-N 3.27Å; R315-T317 PolarHBondContact O-N 3.09Å; T317-E329 WeakPolarHBondContact CB-OE2 3.44Å; T317-E329 WeakPolarHBondContact CG2-OE2 3.36Å |
| 318 | N | 31.6 | Very low | 38.7 | Very low | 111 Ų | 111 | 81.1 Ų | 81.1 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -0.6 | -155.8 | -117.5 | -24.9 | 0 | 0 | 0 | 116.9 | F320 | N318-F320 VanDerWaalsContact C-N 3.3Å; N318-F320 PolarHBondContact O-N 3.27Å |
| 319 | S | 33.2 | Very low | 41.1 | Very low | 97 Ų | 97 | 77.4 Ų | 77.4 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.5 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 320 | F | 39.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 78.7 Ų | 78.7 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -7.9 | -174 | -77 | -77.9 | 0 | 0 | 0 | 115.7 | N318 | N318-F320 VanDerWaalsContact C-N 3.3Å; N318-F320 PolarHBondContact O-N 3.27Å |
| 321 | I | 37.9 | Very low | 45.6 | Very low | 24 Ų | 24 | 79.1 Ų | 79.1 | 12% | 0.123 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -16.6 | -160.5 | -56.2 | -176.9 | 0 | 0 | 0 | 113.9 | G323 A326 T457 | I321-G323 PolarHBondContact O-N 2.81Å; I321-A326 HydrophobicContact CG2-CB 4.01Å; I321-A326 WeakPolarHBondContact O-CB 3.45Å; I321-T457 HydrophobicContact CG2-CG2 4.36Å |
| 322 | G | 31.3 | Very low | 48.3 | Very low | 83 Ų | 83 | 76 Ų | 76 | 86% | 0.856 | 47% | 0.466 | S | S | * | . | trans | -70.7 | 33.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 323 | G | 34 | Very low | 51 | Low | 31 Ų | 31 | 75.1 Ų | 75.1 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -114.8 | 133.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | I321 G325 A326 K453 | I321-G323 PolarHBondContact O-N 2.81Å; G323-G325 PolarHBondContact O-N 3.03Å; G323-A326 WeakPolarHBondContact O-CB 3.39Å; G323-A326 PolarHBondContact O-N 3.26Å; G323-A326 VanDerWaalsContact O-N 3.11Å; G323-K453 PolarHBondContact O-NZ 3.04Å |
| 324 | A | 38.1 | Very low | 53.7 | Low | 99 Ų | 99 | 74.6 Ų | 74.6 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.7 | 129.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | K453 | A324-K453 WeakPolarHBondContact O-CD 3.47Å; A324-K453 PolarHBondContact O-NZ 3.45Å |
| 325 | G | 54.7 | Low | 56.5 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -3.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G323 K453 V454 | G323-G325 PolarHBondContact O-N 3.03Å; G325-K453 VanDerWaalsContact O-CB 3.32Å; G325-K453 WeakPolarHBondContact O-CB 3.43Å; G325-V454 PolarHBondContact O-N 3.11Å; G325-V454 VanDerWaalsContact O-N 3.11Å |
| 326 | A | 67.3 | Low | 59.3 | Low | 31 Ų | 31 | 60.9 Ų | 60.9 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 154.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | I321 G323 T457 | I321-A326 HydrophobicContact CG2-CB 4.01Å; I321-A326 WeakPolarHBondContact O-CB 3.45Å; G323-A326 WeakPolarHBondContact O-CB 3.39Å; G323-A326 PolarHBondContact O-N 3.26Å; G323-A326 VanDerWaalsContact O-N 3.11Å; A326-T457 HydrophobicContact CB-CG2 3.82Å |
| 327 | V | 70.6 | Confident | 61.8 | Low | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -86 | 129.1 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | F332 V454 T457 I461 | V327-F332 HydrophobicContact CG1-CB 4.03Å; V327-F332 HydrophobicContact CG1-CD2 4.14Å; V327-V454 HydrophobicContact CG2-CB 4.39Å; V327-V454 HydrophobicContact CG2-CG2 3.7Å; V327-T457 PolarHBondContact N-OG1 3.12Å; V327-I461 HydrophobicContact CB-CD1 4.43Å |
| 328 | D | 75.2 | Confident | 64.3 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 133.9 | 168.9 | -169 | -41.7 | 0 | 0 | 0 | 109.6 | N330 I331 F332 | D328-N330 PolarHBondContact O-N 3.34Å; D328-N330 WeakPolarHBondContact OD1-CB 3.35Å; D328-N330 PolarHBondContact OD1-N 2.85Å; D328-N330 PolarHBondContact OD1-ND2 3.41Å; D328-I331 HydrophobicContact CB-CB 4.13Å; D328-I331 HydrophobicContact CB-CD1 3.82Å; D328-I331 HydrophobicContact CB-CG1 3.89Å; D328-I331 PolarHBondContact O-N 3Å; D328-F332 PolarHBondContact O-N 2.84Å |
| 329 | E | 79.3 | Confident | 67 | Low | 42 Ų | 42 | 62.5 Ų | 62.5 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.9 | -31.1 | 179.6 | -165.2 | 162.1 | -173.5 | 0 | 0 | 111.6 | T317 F332 L333 I461 R464 | T317-E329 WeakPolarHBondContact CB-OE2 3.44Å; T317-E329 WeakPolarHBondContact CG2-OE2 3.36Å; E329-F332 PolarHBondContact O-N 3.11Å; E329-L333 WeakPolarHBondContact O-CB 3.49Å; E329-L333 PolarHBondContact O-N 2.99Å; E329-I461 HydrophobicContact CB-CD1 4.47Å; E329-I461 HydrophobicContact CG-CG2 4.27Å; E329-R464 IonicContact OE2-NH1 3.37Å |
| 330 | N | 76.9 | Confident | 69.4 | Low | 110 Ų | 110 | 62.8 Ų | 62.8 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.9 | -35.4 | 174.7 | -56.5 | -78.5 | 0 | 0 | 0 | 112.8 | D328 F332 L333 S334 | D328-N330 PolarHBondContact O-N 3.34Å; D328-N330 WeakPolarHBondContact OD1-CB 3.35Å; D328-N330 PolarHBondContact OD1-N 2.85Å; D328-N330 PolarHBondContact OD1-ND2 3.41Å; N330-F332 VanDerWaalsContact C-N 3.32Å; N330-L333 PolarHBondContact O-N 3.41Å; N330-S334 WeakPolarHBondContact O-CB 3.36Å; N330-S334 PolarHBondContact O-N 3.34Å; N330-S334 PolarHBondContact O-OG 3.37Å |
| 331 | I | 77.5 | Confident | 71.6 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.6 | -24.6 | 176 | -61.2 | 174.1 | 0 | 0 | 0 | 110.9 | D328 S334 | D328-I331 HydrophobicContact CB-CB 4.13Å; D328-I331 HydrophobicContact CB-CD1 3.82Å; D328-I331 HydrophobicContact CB-CG1 3.89Å; D328-I331 PolarHBondContact O-N 3Å; I331-S334 PolarHBondContact O-OG 2.89Å |
| 332 | F | 86.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.4 | -44.6 | 170.6 | -165.4 | -87.3 | 0 | 0 | 0 | 110.8 | V327 D328 E329 N330 A335 F336 C419 I420 A423 I461 A462 | V327-F332 HydrophobicContact CG1-CB 4.03Å; V327-F332 HydrophobicContact CG1-CD2 4.14Å; D328-F332 PolarHBondContact O-N 2.84Å; E329-F332 PolarHBondContact O-N 3.11Å; N330-F332 VanDerWaalsContact C-N 3.32Å; F332-A335 WeakPolarHBondContact O-CB 3.47Å; F332-A335 PolarHBondContact O-N 3.48Å; F332-F336 AromaticContact CD1-CE1 3.59Å; F332-F336 HydrophobicContact CD1-CE1 3.59Å; F332-F336 HydrophobicContact CD1-CZ 4.08Å; F332-F336 AromaticContact CE1-CE1 3.62Å; F332-F336 HydrophobicContact CE1-CE1 3.62Å; F332-F336 HydrophobicContact CE1-CZ 4.03Å; F332-F336 WeakPolarHBondContact O-CD1 3.22Å; F332-F336 WeakPolarHBondContact O-CE1 3.48Å; F332-C419 HydrophobicContact CE2-CB 4.24Å; F332-C419 HydrophobicContact CZ-CB 4.18Å; F332-I420 HydrophobicContact CD1-CG1 4.43Å; F332-I420 HydrophobicContact CD2-CD1 4.4Å; F332-I420 HydrophobicContact CD2-CG1 3.76Å; F332-I420 HydrophobicContact CE1-CG1 4.2Å; F332-I420 HydrophobicContact CE2-CD1 4.43Å; F332-I420 HydrophobicContact CE2-CG1 3.46Å; F332-I420 VanDerWaalsContact CE2-CG1 3.46Å; F332-I420 HydrophobicContact CG-CG1 4.25Å; F332-I420 HydrophobicContact CZ-CB 4.37Å; F332-I420 HydrophobicContact CZ-CG1 3.72Å; F332-A423 HydrophobicContact CE1-CB 3.62Å; F332-A423 HydrophobicContact CZ-CB 4.1Å; F332-I461 HydrophobicContact CB-CD1 4.13Å; F332-I461 HydrophobicContact CB-CG2 4.31Å; F332-I461 HydrophobicContact CD1-CB 4.26Å; F332-I461 HydrophobicContact CD1-CG2 3.37Å; F332-I461 HydrophobicContact CD2-CB 4.44Å; F332-I461 HydrophobicContact CD2-CD1 4.19Å; F332-I461 HydrophobicContact CD2-CG2 4.34Å; F332-I461 HydrophobicContact CE1-CB 4.24Å; F332-I461 HydrophobicContact CE1-CG2 3.57Å; F332-I461 HydrophobicContact CE2-CB 4.44Å; F332-I461 HydrophobicContact CG-CB 4.34Å; F332-I461 HydrophobicContact CG-CD1 4.17Å; F332-I461 HydrophobicContact CG-CG2 3.78Å; F332-I461 HydrophobicContact CZ-CB 4.33Å; F332-I461 HydrophobicContact CZ-CG2 4.15Å; F332-A462 HydrophobicContact CZ-CB 4.45Å |
| 333 | L | 86.7 | Confident | 76.5 | Confident | 72 Ų | 72 | 65 Ų | 65 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 172.9 | -89 | 165 | 0 | 0 | 0 | 112.9 | E329 N330 A335 F336 F465 | E329-L333 WeakPolarHBondContact O-CB 3.49Å; E329-L333 PolarHBondContact O-N 2.99Å; N330-L333 PolarHBondContact O-N 3.41Å; L333-A335 PolarHBondContact O-N 2.89Å; L333-F336 HydrophobicContact CD2-CD2 4.12Å; L333-F336 HydrophobicContact CD2-CE2 3.94Å; L333-F336 HydrophobicContact CD2-CZ 4.49Å; L333-F336 VanDerWaalsContact O-CB 3.23Å; L333-F336 WeakPolarHBondContact O-CB 3.36Å; L333-F336 WeakPolarHBondContact O-CG 3.34Å; L333-F336 PolarHBondContact O-N 3.37Å; L333-F465 HydrophobicContact CD1-CZ 4.46Å; L333-F465 HydrophobicContact CD2-CE1 3.98Å; L333-F465 HydrophobicContact CD2-CZ 3.57Å; L333-F465 HydrophobicContact CG-CZ 3.9Å |
| 334 | S | 83.4 | Confident | 79 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 58% | 0.58 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -21.2 | -179.6 | 72.5 | 0 | 0 | 0 | 0 | 113 | N330 I331 F336 | N330-S334 WeakPolarHBondContact O-CB 3.36Å; N330-S334 PolarHBondContact O-N 3.34Å; N330-S334 PolarHBondContact O-OG 3.37Å; I331-S334 PolarHBondContact O-OG 2.89Å; S334-F336 VanDerWaalsContact C-N 3.32Å |
| 335 | A | 87 | Confident | 81.3 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F332 L333 E337 D338 R379 I420 | F332-A335 WeakPolarHBondContact O-CB 3.47Å; F332-A335 PolarHBondContact O-N 3.48Å; L333-A335 PolarHBondContact O-N 2.89Å; A335-E337 VanDerWaalsContact C-N 3.34Å; A335-E337 PolarHBondContact O-N 3.45Å; A335-D338 PolarHBondContact O-N 3.02Å; A335-R379 PolarHBondContact O-NH1 2.96Å; A335-R379 PolarHBondContact O-NH2 3.41Å; A335-I420 HydrophobicContact CB-CD1 3.92Å; A335-I420 HydrophobicContact CB-CG2 4.37Å |
| 336 | F | 88.8 | Confident | 83 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -61.4 | -39.6 | -175.2 | -79 | 12 | 0 | 0 | 0 | 112.9 | F332 L333 S334 R379 I420 A423 Y424 E427 F465 | F332-F336 AromaticContact CD1-CE1 3.59Å; F332-F336 HydrophobicContact CD1-CE1 3.59Å; F332-F336 HydrophobicContact CD1-CZ 4.08Å; F332-F336 AromaticContact CE1-CE1 3.62Å; F332-F336 HydrophobicContact CE1-CE1 3.62Å; F332-F336 HydrophobicContact CE1-CZ 4.03Å; F332-F336 WeakPolarHBondContact O-CD1 3.22Å; F332-F336 WeakPolarHBondContact O-CE1 3.48Å; L333-F336 HydrophobicContact CD2-CD2 4.12Å; L333-F336 HydrophobicContact CD2-CE2 3.94Å; L333-F336 HydrophobicContact CD2-CZ 4.49Å; L333-F336 VanDerWaalsContact O-CB 3.23Å; L333-F336 WeakPolarHBondContact O-CB 3.36Å; L333-F336 WeakPolarHBondContact O-CG 3.34Å; L333-F336 PolarHBondContact O-N 3.37Å; S334-F336 VanDerWaalsContact C-N 3.32Å; F336-R379 VanDerWaalsContact C-NH1 3.3Å; F336-R379 PolarHBondContact O-NH1 3.35Å; F336-I420 HydrophobicContact CD1-CG2 3.95Å; F336-I420 HydrophobicContact CE1-CG2 4.27Å; F336-A423 HydrophobicContact CE1-CB 4.07Å; F336-A423 HydrophobicContact CZ-CB 3.74Å; F336-Y424 HydrophobicContact CB-CD2 3.58Å; F336-Y424 HydrophobicContact CB-CE2 4.02Å; F336-Y424 HydrophobicContact CB-CG 4.32Å; F336-Y424 AromaticContact CD2-CD2 3.59Å; F336-Y424 HydrophobicContact CD2-CD2 3.59Å; F336-Y424 HydrophobicContact CD2-CE2 4.42Å; F336-Y424 HydrophobicContact CD2-CG 4.43Å; F336-Y424 HydrophobicContact CE2-CD2 4.38Å; F336-Y424 AromaticContact CG-CD2 3.72Å; F336-Y424 HydrophobicContact CG-CD2 3.72Å; F336-Y424 HydrophobicContact CG-CG 4.35Å; F336-E427 WeakPolarHBondContact CD2-OE2 3.49Å; F336-E427 VanDerWaalsContact CE2-OE2 3.23Å; F336-E427 WeakPolarHBondContact CE2-OE2 3.45Å; F336-F465 AromaticContact CE2-CD1 3.95Å; F336-F465 HydrophobicContact CE2-CD1 3.95Å; F336-F465 AromaticContact CE2-CE1 3.54Å; F336-F465 HydrophobicContact CE2-CE1 3.54Å; F336-F465 AromaticContact CE2-CZ 3.95Å; F336-F465 HydrophobicContact CE2-CZ 3.95Å; F336-F465 HydrophobicContact CZ-CD1 4.02Å; F336-F465 HydrophobicContact CZ-CD2 4.33Å; F336-F465 AromaticContact CZ-CE1 3.79Å; F336-F465 HydrophobicContact CZ-CE1 3.79Å; F336-F465 HydrophobicContact CZ-CE2 4.13Å; F336-F465 HydrophobicContact CZ-CG 4.3Å; F336-F465 AromaticContact CZ-CZ 3.87Å; F336-F465 HydrophobicContact CZ-CZ 3.87Å |
| 337 | E | 84.7 | Confident | 84.1 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -108.8 | 7.5 | -179.2 | -61.5 | -179.4 | 169.8 | 0 | 0 | 112.7 | A335 V339 I383 Y424 | A335-E337 VanDerWaalsContact C-N 3.34Å; A335-E337 PolarHBondContact O-N 3.45Å; E337-V339 PolarHBondContact O-N 2.85Å; E337-I383 HydrophobicContact CB-CD1 4.45Å; E337-I383 HydrophobicContact CG-CD1 4.36Å; E337-Y424 HydrophobicContact CG-CE2 4.42Å |
| 338 | D | 86.4 | Confident | 85.1 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | trans | -75.7 | 53.4 | 172.7 | -177.5 | 39.4 | 0 | 0 | 0 | 112.3 | A335 | A335-D338 PolarHBondContact O-N 3.02Š| ||
| 339 | V | 87.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -150.9 | 147.9 | 173.7 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | E337 K376 R379 I383 | E337-V339 PolarHBondContact O-N 2.85Å; V339-K376 HydrophobicContact CG1-CB 3.62Å; V339-K376 HydrophobicContact CG1-CD 4.02Å; V339-K376 HydrophobicContact CG1-CG 3.74Å; V339-R379 HydrophobicContact CG2-CB 3.93Å; V339-I383 HydrophobicContact CG2-CD1 3.54Å |
| 340 | P | 85.2 | Confident | 86.6 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | trans | -65 | 146.9 | 173.6 | 28 | -34.9 | 0 | 0 | 0 | 111.1 | S380 | P340-S380 WeakPolarHBondContact O-CA 3.36Å; P340-S380 WeakPolarHBondContact O-CB 3.32Å; P340-S380 PolarHBondContact O-OG 3.37Å | ||
| 341 | K | 84.4 | Confident | 87.4 | Confident | 118 Ų | 118 | 69.7 Ų | 69.7 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | trans | -64.7 | 134.1 | 170.3 | -174.1 | -179.1 | -170.6 | -162.9 | 0 | 109.8 | E343 I383 | K341-E343 HydrophobicContact CD-CG 4.1Å; K341-E343 VanDerWaalsContact CE-OE1 3.27Å; K341-E343 WeakPolarHBondContact CE-OE1 3.33Å; K341-E343 HydrophobicContact CG-CG 4.22Å; K341-E343 IonicContact NZ-OE1 3.49Å; K341-E343 PolarHBondContact NZ-OE1 3.24Å; K341-I383 HydrophobicContact CB-CG2 4.1Å; K341-I383 VanDerWaalsContact CE-O 3.26Å; K341-I383 WeakPolarHBondContact CE-O 3.45Å; K341-I383 HydrophobicContact CG-CG2 4.05Å | ||
| 342 | M | 86.7 | Confident | 88.2 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | trans | -122.8 | 97.2 | 174.7 | -179 | 174.2 | -73.6 | 0 | 0 | 109.1 | R377 S380 L381 G384 | M342-R377 HydrophobicContact CE-CG 4.3Å; M342-S380 PolarHBondContact N-O 3.11Å; M342-L381 HydrophobicContact CB-CD2 4.45Å; M342-L381 HydrophobicContact CG-CD2 3.97Å; M342-L381 HydrophobicContact SD-CD2 3.91Å; M342-L381 HydrophobicContact SD-CG 4.27Å; M342-G384 WeakPolarHBondContact O-CA 3.39Å | ||
| 343 | E | 85.3 | Confident | 88.5 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 152.3 | 176.4 | -61.8 | -172.9 | 165.8 | 0 | 0 | 111.1 | K341 | K341-E343 HydrophobicContact CD-CG 4.1Å; K341-E343 VanDerWaalsContact CE-OE1 3.27Å; K341-E343 WeakPolarHBondContact CE-OE1 3.33Å; K341-E343 HydrophobicContact CG-CG 4.22Å; K341-E343 IonicContact NZ-OE1 3.49Å; K341-E343 PolarHBondContact NZ-OE1 3.24Å | ||
| 344 | V | 85.7 | Confident | 88.9 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | trans | -136 | 127.3 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | N346 E349 L350 L381 Y389 | V344-N346 WeakPolarHBondContact CG1-O 3.32Å; V344-E349 HydrophobicContact CG1-CB 3.78Å; V344-E349 HydrophobicContact CG1-CG 3.8Å; V344-L350 HydrophobicContact CG1-CB 3.81Å; V344-L350 HydrophobicContact CG2-CD1 4.43Å; V344-L381 HydrophobicContact CG2-CD2 3.39Å; V344-Y389 PolarHBondContact O-OH 3.24Å | ||
| 345 | Y | 87.1 | Confident | 89.4 | Confident | 172 Ų | 172 | 67.2 Ų | 67.2 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -91.4 | -13.8 | -167.5 | -58.4 | -76.7 | 0 | 0 | 0 | 113.6 | E349 | Y345-E349 PolarHBondContact N-OE2 3.14Š|
| 346 | N | 89.8 | Confident | 89.8 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -158.1 | 159.6 | 176.7 | 64.3 | 84.7 | 0 | 0 | 0 | 112.8 | V344 K348 E349 L350 Y389 | V344-N346 WeakPolarHBondContact CG1-O 3.32Å; N346-K348 VanDerWaalsContact C-N 3.29Å; N346-K348 PolarHBondContact O-N 3.16Å; N346-K348 WeakPolarHBondContact OD1-CB 3.39Å; N346-K348 PolarHBondContact OD1-N 3Å; N346-K348 VanDerWaalsContact OD1-N 3.09Å; N346-E349 PolarHBondContact O-N 3.36Å; N346-E349 PolarHBondContact OD1-N 3.03Å; N346-L350 PolarHBondContact O-N 3.09Å; N346-L350 VanDerWaalsContact O-N 3.16Å; N346-Y389 PolarHBondContact N-OH 3.49Å |
| 347 | A | 90.6 | Very high | 90 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -33.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | L350 V351 Y389 E391 | A347-L350 PolarHBondContact O-N 3.49Å; A347-V351 VanDerWaalsContact O-CG2 3.3Å; A347-V351 WeakPolarHBondContact O-CG2 3.5Å; A347-V351 PolarHBondContact O-N 2.91Å; A347-Y389 HydrophobicContact CB-CD1 4.13Å; A347-E391 VanDerWaalsContact CB-CD 3.4Å; A347-E391 HydrophobicContact CB-CG 4Å; A347-E391 WeakPolarHBondContact CB-OE1 3.31Å |
| 348 | K | 92.7 | Very high | 90.6 | Very high | 176 Ų | 176 | 69.4 Ų | 69.4 | 77% | 0.765 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.9 | -39.8 | -179.8 | -63.1 | -179.1 | 178.4 | 177.9 | 0 | 111.6 | N346 V351 A352 | N346-K348 VanDerWaalsContact C-N 3.29Å; N346-K348 PolarHBondContact O-N 3.16Å; N346-K348 WeakPolarHBondContact OD1-CB 3.39Å; N346-K348 PolarHBondContact OD1-N 3Å; N346-K348 VanDerWaalsContact OD1-N 3.09Å; K348-V351 PolarHBondContact O-N 3.34Å; K348-A352 WeakPolarHBondContact O-CB 3.44Å; K348-A352 PolarHBondContact O-N 2.89Å |
| 349 | E | 92.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 173.9 | -177 | 179.1 | -149.3 | 0 | 0 | 110.8 | V344 Y345 N346 V351 A352 Q353 | V344-E349 HydrophobicContact CG1-CB 3.78Å; V344-E349 HydrophobicContact CG1-CG 3.8Å; Y345-E349 PolarHBondContact N-OE2 3.14Å; N346-E349 PolarHBondContact O-N 3.36Å; N346-E349 PolarHBondContact OD1-N 3.03Å; E349-V351 PolarHBondContact O-N 3.36Å; E349-A352 PolarHBondContact O-N 3.01Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.27Å |
| 350 | L | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 176.2 | 179.1 | 60.5 | 0 | 0 | 0 | 111.5 | V344 N346 A347 A352 Q353 M354 L381 A386 Y389 F392 | V344-L350 HydrophobicContact CG1-CB 3.81Å; V344-L350 HydrophobicContact CG2-CD1 4.43Å; N346-L350 PolarHBondContact O-N 3.09Å; N346-L350 VanDerWaalsContact O-N 3.16Å; A347-L350 PolarHBondContact O-N 3.49Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.06Å; L350-Q353 PolarHBondContact O-N 3.28Å; L350-M354 HydrophobicContact CD1-CG 4.13Å; L350-M354 HydrophobicContact CD1-SD 4Å; L350-M354 HydrophobicContact CG-SD 4.18Å; L350-M354 WeakPolarHBondContact O-CG 3.41Å; L350-M354 PolarHBondContact O-N 2.87Å; L350-L381 HydrophobicContact CD1-CD2 4.31Å; L350-A386 HydrophobicContact CD1-CB 3.69Å; L350-A386 HydrophobicContact CD2-CB 4.32Å; L350-Y389 HydrophobicContact CD2-CD2 3.85Å; L350-Y389 HydrophobicContact CD2-CG 3.92Å; L350-F392 HydrophobicContact CD2-CB 3.94Å; L350-F392 HydrophobicContact CD2-CD2 4.48Å |
| 351 | V | 94.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 176.7 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | A347 K348 E349 Q353 M354 Q355 E391 E395 | A347-V351 VanDerWaalsContact O-CG2 3.3Å; A347-V351 WeakPolarHBondContact O-CG2 3.5Å; A347-V351 PolarHBondContact O-N 2.91Å; K348-V351 PolarHBondContact O-N 3.34Å; E349-V351 PolarHBondContact O-N 3.36Å; V351-Q353 PolarHBondContact O-N 3.24Å; V351-M354 PolarHBondContact O-N 2.98Å; V351-Q355 HydrophobicContact CG1-CG 4.39Å; V351-Q355 WeakPolarHBondContact O-CB 3.24Å; V351-Q355 VanDerWaalsContact O-CG 3.23Å; V351-Q355 WeakPolarHBondContact O-CG 3.5Å; V351-Q355 PolarHBondContact O-N 3.27Å; V351-E391 HydrophobicContact CG2-CB 3.9Å; V351-E391 HydrophobicContact CG2-CG 4.28Å; V351-E395 HydrophobicContact CB-CG 4.43Å; V351-E395 HydrophobicContact CG1-CG 4.35Å; V351-E395 HydrophobicContact CG2-CG 4Å |
| 352 | A | 94 | Very high | 92.1 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K348 E349 L350 Q355 Q356 | K348-A352 WeakPolarHBondContact O-CB 3.44Å; K348-A352 PolarHBondContact O-N 2.89Å; E349-A352 PolarHBondContact O-N 3.01Å; L350-A352 VanDerWaalsContact C-N 3.32Å; L350-A352 PolarHBondContact O-N 3.06Å; A352-Q355 PolarHBondContact O-N 3.38Å; A352-Q356 WeakPolarHBondContact O-CB 3.39Å; A352-Q356 PolarHBondContact O-N 2.96Å |
| 353 | Q | 93.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.4 | -67.7 | -61 | -24.6 | 0 | 0 | 111.9 | E349 L350 V351 Q356 I357 L381 | E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.27Å; L350-Q353 PolarHBondContact O-N 3.28Å; V351-Q353 PolarHBondContact O-N 3.24Å; Q353-Q356 PolarHBondContact O-N 3.4Å; Q353-I357 WeakPolarHBondContact O-CG1 3.4Å; Q353-I357 PolarHBondContact O-N 3.21Å; Q353-L381 HydrophobicContact CB-CD1 4.23Å; Q353-L381 HydrophobicContact CB-CD2 4.37Å |
| 354 | M | 94.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.2 | -68.5 | -172 | 74.2 | 0 | 0 | 112.3 | L350 V351 I357 R358 L381 F392 E395 L396 L399 | L350-M354 HydrophobicContact CD1-CG 4.13Å; L350-M354 HydrophobicContact CD1-SD 4Å; L350-M354 HydrophobicContact CG-SD 4.18Å; L350-M354 WeakPolarHBondContact O-CG 3.41Å; L350-M354 PolarHBondContact O-N 2.87Å; V351-M354 PolarHBondContact O-N 2.98Å; M354-I357 PolarHBondContact O-N 3.41Å; M354-R358 WeakPolarHBondContact O-CB 3.45Å; M354-R358 PolarHBondContact O-N 2.97Å; M354-L381 HydrophobicContact CG-CD1 4.2Å; M354-F392 HydrophobicContact CE-CD2 3.94Å; M354-F392 HydrophobicContact CE-CE2 3.91Å; M354-F392 HydrophobicContact SD-CD2 3.58Å; M354-F392 VanDerWaalsContact SD-CD2 3.58Å; M354-F392 HydrophobicContact SD-CE2 4.03Å; M354-E395 HydrophobicContact CB-CB 3.9Å; M354-E395 HydrophobicContact CB-CG 4.36Å; M354-E395 HydrophobicContact CE-CB 3.74Å; M354-E395 HydrophobicContact CG-CB 4.37Å; M354-E395 HydrophobicContact SD-CB 3.6Å; M354-E395 VanDerWaalsContact SD-CB 3.6Å; M354-L396 HydrophobicContact CE-CB 4.23Å; M354-L399 HydrophobicContact CE-CD1 3.73Å |
| 355 | Q | 94.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 174 | -71.3 | 177.3 | 7.4 | 0 | 0 | 112.3 | V351 A352 R358 S359 E395 | V351-Q355 HydrophobicContact CG1-CG 4.39Å; V351-Q355 WeakPolarHBondContact O-CB 3.24Å; V351-Q355 VanDerWaalsContact O-CG 3.23Å; V351-Q355 WeakPolarHBondContact O-CG 3.5Å; V351-Q355 PolarHBondContact O-N 3.27Å; A352-Q355 PolarHBondContact O-N 3.38Å; Q355-R358 WeakPolarHBondContact O-CB 3.39Å; Q355-R358 PolarHBondContact O-N 2.85Å; Q355-S359 PolarHBondContact O-N 3.28Å; Q355-E395 PolarHBondContact NE2-OE1 3.25Å |
| 356 | Q | 94.1 | Very high | 92.3 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 172.4 | -173.4 | 176.9 | 8.5 | 0 | 0 | 111 | A352 Q353 R358 S359 V360 | A352-Q356 WeakPolarHBondContact O-CB 3.39Å; A352-Q356 PolarHBondContact O-N 2.96Å; Q353-Q356 PolarHBondContact O-N 3.4Å; Q356-R358 VanDerWaalsContact C-N 3.32Å; Q356-R358 PolarHBondContact O-N 3.33Å; Q356-S359 PolarHBondContact O-N 3.15Å; Q356-S359 VanDerWaalsContact O-N 3.16Å; Q356-S359 PolarHBondContact O-OG 2.91Å; Q356-V360 PolarHBondContact O-N 3.08Å |
| 357 | I | 94.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55 | -48.3 | 175 | -71.1 | 166 | 0 | 0 | 0 | 110.7 | Q353 M354 S359 V360 V361 S374 R377 V378 L381 L399 | Q353-I357 WeakPolarHBondContact O-CG1 3.4Å; Q353-I357 PolarHBondContact O-N 3.21Å; M354-I357 PolarHBondContact O-N 3.41Å; I357-S359 VanDerWaalsContact C-N 3.31Å; I357-S359 PolarHBondContact O-N 3.34Å; I357-V360 PolarHBondContact O-N 3.29Å; I357-V360 VanDerWaalsContact O-N 3.17Å; I357-V361 HydrophobicContact CG2-CG2 4.1Å; I357-V361 WeakPolarHBondContact O-CG2 3.33Å; I357-V361 PolarHBondContact O-N 3.45Å; I357-S374 WeakPolarHBondContact CG2-O 3.38Å; I357-R377 HydrophobicContact CD1-CB 3.8Å; I357-R377 HydrophobicContact CG1-CB 4.24Å; I357-V378 HydrophobicContact CD1-CG2 4.14Å; I357-V378 HydrophobicContact CG2-CG2 3.72Å; I357-L381 HydrophobicContact CD1-CD1 3.67Å; I357-L399 HydrophobicContact CG2-CD2 4.1Å |
| 358 | R | 95.4 | Very high | 92.4 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.4 | -45.5 | 177.2 | -177.6 | -178.2 | -173.2 | -161.4 | -5.7 | 112.1 | M354 Q355 Q356 V360 I362 T398 L399 P402 | M354-R358 WeakPolarHBondContact O-CB 3.45Å; M354-R358 PolarHBondContact O-N 2.97Å; Q355-R358 WeakPolarHBondContact O-CB 3.39Å; Q355-R358 PolarHBondContact O-N 2.85Å; Q356-R358 VanDerWaalsContact C-N 3.32Å; Q356-R358 PolarHBondContact O-N 3.33Å; R358-V360 VanDerWaalsContact C-N 3.28Å; R358-V360 PolarHBondContact O-N 3.19Å; R358-I362 VanDerWaalsContact O-CB 3.3Å; R358-I362 WeakPolarHBondContact O-CB 3.38Å; R358-I362 WeakPolarHBondContact O-CG2 3.37Å; R358-I362 PolarHBondContact O-N 2.88Å; R358-I362 VanDerWaalsContact O-N 3.08Å; R358-T398 WeakPolarHBondContact CD-OG1 3.33Å; R358-T398 PolarHBondContact NE-O 3.21Å; R358-T398 VanDerWaalsContact NE-O 3.14Å; R358-L399 HydrophobicContact CB-CD2 3.75Å; R358-L399 HydrophobicContact CG-CD2 4.32Å; R358-P402 HydrophobicContact CG-CG 3.97Å |
| 359 | S | 93.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | -178.5 | 78.6 | 0 | 0 | 0 | 0 | 113.5 | Q355 Q356 I357 | Q355-S359 PolarHBondContact O-N 3.28Å; Q356-S359 PolarHBondContact O-N 3.15Å; Q356-S359 VanDerWaalsContact O-N 3.16Å; Q356-S359 PolarHBondContact O-OG 2.91Å; I357-S359 VanDerWaalsContact C-N 3.31Å; I357-S359 PolarHBondContact O-N 3.34Å |
| 360 | V | 94.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -81.8 | -50 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | Q356 I357 R358 I362 N363 K370 R371 S374 | Q356-V360 PolarHBondContact O-N 3.08Å; I357-V360 PolarHBondContact O-N 3.29Å; I357-V360 VanDerWaalsContact O-N 3.17Å; R358-V360 VanDerWaalsContact C-N 3.28Å; R358-V360 PolarHBondContact O-N 3.19Å; V360-I362 PolarHBondContact O-N 3.1Å; V360-N363 PolarHBondContact O-N 3.41Å; V360-K370 HydrophobicContact CG1-CB 4.19Å; V360-R371 HydrophobicContact CG1-CG 4.25Å; V360-S374 WeakPolarHBondContact CB-OG 3.26Å; V360-S374 VanDerWaalsContact CG1-OG 3.24Å; V360-S374 WeakPolarHBondContact CG1-OG 3.38Å |
| 361 | V | 93.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | -174.1 | 179.2 | 0 | 0 | 0 | 0 | 112 | I357 N363 L375 P402 A406 | I357-V361 HydrophobicContact CG2-CG2 4.1Å; I357-V361 WeakPolarHBondContact O-CG2 3.33Å; I357-V361 PolarHBondContact O-N 3.45Å; V361-N363 PolarHBondContact O-N 3.38Å; V361-L375 HydrophobicContact CG1-CD2 4.15Å; V361-L375 HydrophobicContact CG2-CD2 4.24Å; V361-L375 HydrophobicContact CG2-CG 4.27Å; V361-P402 HydrophobicContact CB-CB 4.06Å; V361-P402 HydrophobicContact CG1-CB 3.77Å; V361-A406 HydrophobicContact CG1-CB 4.04Å |
| 362 | I | 93.5 | Very high | 92.7 | Very high | 69 Ų | 69 | 61 Ų | 61 | 35% | 0.354 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.7 | 179.5 | -156 | 171.1 | 0 | 0 | 0 | 113.5 | R358 V360 P364 P402 L405 | R358-I362 VanDerWaalsContact O-CB 3.3Å; R358-I362 WeakPolarHBondContact O-CB 3.38Å; R358-I362 WeakPolarHBondContact O-CG2 3.37Å; R358-I362 PolarHBondContact O-N 2.88Å; R358-I362 VanDerWaalsContact O-N 3.08Å; V360-I362 PolarHBondContact O-N 3.1Å; I362-P364 VanDerWaalsContact O-CD 3.24Å; I362-P364 WeakPolarHBondContact O-CD 3.16Å; I362-P402 HydrophobicContact CB-CB 4.33Å; I362-P402 HydrophobicContact CB-CG 4.07Å; I362-P402 HydrophobicContact CD1-CG 4.32Å; I362-P402 HydrophobicContact CG1-CG 4.22Å; I362-L405 HydrophobicContact CG1-CD1 4.1Å |
| 363 | N | 89.5 | Confident | 92.7 | Very high | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -93.9 | 106.5 | -171.9 | -175.6 | -5.6 | 0 | 0 | 0 | 111.1 | V360 V361 N365 C366 R371 | V360-N363 PolarHBondContact O-N 3.41Å; V361-N363 PolarHBondContact O-N 3.38Å; N363-N365 PolarHBondContact O-N 2.94Å; N363-N365 WeakPolarHBondContact OD1-CB 3.45Å; N363-N365 PolarHBondContact OD1-N 3.36Å; N363-C366 HydrophobicContact CB-CB 4.04Å; N363-C366 WeakPolarHBondContact O-CB 3.41Å; N363-C366 PolarHBondContact O-N 3.28Å; N363-C366 VanDerWaalsContact O-N 3.07Å; N363-C366 PolarHBondContact OD1-N 2.79Å; N363-R371 PolarHBondContact O-NH1 2.94Å | ||
| 364 | P | 83.7 | Confident | 92.8 | Very high | 96 Ų | 96 | 61 Ų | 61 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.7 | -180 | 29 | -36.2 | 0 | 0 | 0 | 112.9 | I362 R371 | I362-P364 VanDerWaalsContact O-CD 3.24Å; I362-P364 WeakPolarHBondContact O-CD 3.16Å; P364-R371 PolarHBondContact O-NH1 3.24Å |
| 365 | N | 87.5 | Confident | 92.8 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 80% | 0.802 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9 | 177.4 | -55.5 | -32.7 | 0 | 0 | 0 | 112.9 | N363 | N363-N365 PolarHBondContact O-N 2.94Å; N363-N365 WeakPolarHBondContact OD1-CB 3.45Å; N363-N365 PolarHBondContact OD1-N 3.36Å |
| 366 | C | 88.2 | Confident | 92.9 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -66.8 | 156.8 | 168.5 | -160.1 | 0 | 0 | 0 | 0 | 109.8 | N363 W368 R371 | N363-C366 HydrophobicContact CB-CB 4.04Å; N363-C366 WeakPolarHBondContact O-CB 3.41Å; N363-C366 PolarHBondContact O-N 3.28Å; N363-C366 VanDerWaalsContact O-N 3.07Å; N363-C366 PolarHBondContact OD1-N 2.79Å; C366-W368 PolarHBondContact O-N 3.49Å; C366-R371 PolarHBondContact O-NH1 3.41Å |
| 367 | D | 90.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | trans | -62.3 | 137.1 | 177.3 | -163.9 | 2.6 | 0 | 0 | 0 | 110.7 | D369 K370 R371 | D367-D369 VanDerWaalsContact C-N 3.33Å; D367-D369 PolarHBondContact O-N 3.16Å; D367-K370 HydrophobicContact CB-CB 4.31Å; D367-K370 HydrophobicContact CB-CD 4.11Å; D367-K370 HydrophobicContact CB-CG 4.08Å; D367-K370 PolarHBondContact O-N 3.04Å; D367-R371 PolarHBondContact O-N 3.49Å | ||
| 368 | W | 92.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.6 | -31.7 | -171.8 | 67.5 | -74.5 | 0 | 0 | 0 | 111.4 | C366 R371 I372 Q413 V414 | C366-W368 PolarHBondContact O-N 3.49Å; W368-R371 WeakPolarHBondContact O-CB 3.34Å; W368-R371 PolarHBondContact O-N 2.87Å; W368-I372 HydrophobicContact CE3-CD1 3.58Å; W368-I372 HydrophobicContact CZ3-CD1 3.54Å; W368-I372 PolarHBondContact O-N 2.9Å; W368-Q413 HydrophobicContact CZ3-CB 4.07Å; W368-V414 HydrophobicContact CB-CG2 4.05Å; W368-V414 HydrophobicContact CE3-CG2 4.18Å |
| 369 | D | 94.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 170.7 | -75.3 | -57.2 | 0 | 0 | 0 | 111.2 | D367 R371 I372 E373 | D367-D369 VanDerWaalsContact C-N 3.33Å; D367-D369 PolarHBondContact O-N 3.16Å; D369-R371 VanDerWaalsContact C-N 3.3Å; D369-R371 PolarHBondContact O-N 2.85Å; D369-I372 WeakPolarHBondContact O-CB 3.08Å; D369-I372 PolarHBondContact O-N 3.38Å; D369-I372 VanDerWaalsContact O-N 3.15Å; D369-E373 PolarHBondContact O-N 3.44Å |
| 370 | K | 93.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -32.7 | 174.9 | -65 | -178 | -178 | -178.7 | 0 | 112.5 | V360 D367 S374 | V360-K370 HydrophobicContact CG1-CB 4.19Å; D367-K370 HydrophobicContact CB-CB 4.31Å; D367-K370 HydrophobicContact CB-CD 4.11Å; D367-K370 HydrophobicContact CB-CG 4.08Å; D367-K370 PolarHBondContact O-N 3.04Å; K370-S374 WeakPolarHBondContact O-CB 3.45Å; K370-S374 PolarHBondContact O-N 3.37Å; K370-S374 PolarHBondContact O-OG 3.43Å |
| 371 | R | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -45.6 | 170.1 | -70.1 | -156.1 | -67.5 | -88.1 | 0.1 | 111.7 | V360 N363 P364 C366 D367 W368 D369 S374 L375 D409 | V360-R371 HydrophobicContact CG1-CG 4.25Å; N363-R371 PolarHBondContact O-NH1 2.94Å; P364-R371 PolarHBondContact O-NH1 3.24Å; C366-R371 PolarHBondContact O-NH1 3.41Å; D367-R371 PolarHBondContact O-N 3.49Å; W368-R371 WeakPolarHBondContact O-CB 3.34Å; W368-R371 PolarHBondContact O-N 2.87Å; D369-R371 VanDerWaalsContact C-N 3.3Å; D369-R371 PolarHBondContact O-N 2.85Å; R371-S374 PolarHBondContact O-N 3.02Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 2.92Å; R371-D409 IonicContact CZ-OD2 2.83Å; R371-D409 IonicContact NE-OD2 3.58Å; R371-D409 PolarHBondContact NE-OD2 3.47Å; R371-D409 IonicContact NH2-OD2 2.69Å; R371-D409 PolarHBondContact NH2-OD2 2.84Å |
| 372 | I | 95.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.4 | -75.8 | 173.7 | 0 | 0 | 0 | 111 | W368 D369 S374 L375 K376 Q413 V414 E417 | W368-I372 HydrophobicContact CE3-CD1 3.58Å; W368-I372 HydrophobicContact CZ3-CD1 3.54Å; W368-I372 PolarHBondContact O-N 2.9Å; D369-I372 WeakPolarHBondContact O-CB 3.08Å; D369-I372 PolarHBondContact O-N 3.38Å; D369-I372 VanDerWaalsContact O-N 3.15Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.46Å; I372-L375 PolarHBondContact O-N 3.22Å; I372-K376 WeakPolarHBondContact O-CG 3.32Å; I372-K376 PolarHBondContact O-N 3.49Å; I372-Q413 HydrophobicContact CD1-CB 3.92Å; I372-V414 HydrophobicContact CD1-CG2 4.08Å; I372-V414 HydrophobicContact CG1-CB 4.5Å; I372-V414 HydrophobicContact CG1-CG2 4.06Å; I372-E417 HydrophobicContact CG1-CB 4.3Å; I372-E417 HydrophobicContact CG2-CG 4.12Å |
| 373 | E | 94.4 | Very high | 92.7 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.2 | -160 | -163.2 | 156.9 | 0 | 0 | 111.5 | D369 L375 K376 R377 | D369-E373 PolarHBondContact O-N 3.44Å; E373-L375 PolarHBondContact O-N 2.87Å; E373-K376 WeakPolarHBondContact O-CB 3.27Å; E373-K376 PolarHBondContact O-N 3.15Å; E373-R377 WeakPolarHBondContact O-CG 3.41Å; E373-R377 PolarHBondContact O-N 2.94Å; E373-R377 IonicContact OE1-CZ 3.73Å; E373-R377 IonicContact OE1-NE 3.03Å; E373-R377 PolarHBondContact OE1-NE 3.45Å; E373-R377 IonicContact OE1-NH2 2.69Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å; E373-R377 IonicContact OE2-NH2 2.72Å |
| 374 | S | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -34.7 | 176.9 | -59 | 0 | 0 | 0 | 0 | 112.8 | I357 V360 K370 R371 I372 R377 V378 | I357-S374 WeakPolarHBondContact CG2-O 3.38Å; V360-S374 WeakPolarHBondContact CB-OG 3.26Å; V360-S374 VanDerWaalsContact CG1-OG 3.24Å; V360-S374 WeakPolarHBondContact CG1-OG 3.38Å; K370-S374 WeakPolarHBondContact O-CB 3.45Å; K370-S374 PolarHBondContact O-N 3.37Å; K370-S374 PolarHBondContact O-OG 3.43Å; R371-S374 PolarHBondContact O-N 3.02Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.46Å; S374-R377 PolarHBondContact O-N 3.12Å; S374-V378 PolarHBondContact O-N 2.98Å |
| 375 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 171.8 | -69.2 | 167.5 | 0 | 0 | 0 | 111.2 | V361 R371 I372 E373 R377 V378 L403 A406 V414 E417 A418 | V361-L375 HydrophobicContact CG1-CD2 4.15Å; V361-L375 HydrophobicContact CG2-CD2 4.24Å; V361-L375 HydrophobicContact CG2-CG 4.27Å; R371-L375 VanDerWaalsContact O-CG 3.3Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 2.92Å; I372-L375 PolarHBondContact O-N 3.22Å; E373-L375 PolarHBondContact O-N 2.87Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.11Å; L375-V378 WeakPolarHBondContact O-CB 3.31Å; L375-V378 PolarHBondContact O-N 3.24Å; L375-V378 VanDerWaalsContact O-N 3.12Å; L375-L403 HydrophobicContact CD2-CD2 3.38Å; L375-L403 HydrophobicContact CD2-CG 4.45Å; L375-A406 HydrophobicContact CD1-CB 4.27Å; L375-A406 HydrophobicContact CD2-CB 4.46Å; L375-V414 HydrophobicContact CD1-CG1 4.34Å; L375-E417 HydrophobicContact CB-CG 3.84Å; L375-E417 HydrophobicContact CD1-CB 4.18Å; L375-E417 HydrophobicContact CD1-CG 4.12Å; L375-A418 HydrophobicContact CD1-CB 4.11Å |
| 376 | K | 95.8 | Very high | 93 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.9 | -41.8 | 172.8 | -77 | -172.6 | 171 | -143 | 0 | 112 | V339 I372 E373 V378 R379 S380 E417 | V339-K376 HydrophobicContact CG1-CB 3.62Å; V339-K376 HydrophobicContact CG1-CD 4.02Å; V339-K376 HydrophobicContact CG1-CG 3.74Å; I372-K376 WeakPolarHBondContact O-CG 3.32Å; I372-K376 PolarHBondContact O-N 3.49Å; E373-K376 WeakPolarHBondContact O-CB 3.27Å; E373-K376 PolarHBondContact O-N 3.15Å; K376-V378 VanDerWaalsContact C-N 3.28Å; K376-V378 PolarHBondContact O-N 2.8Å; K376-R379 WeakPolarHBondContact O-CA 3.41Å; K376-R379 WeakPolarHBondContact O-CB 3.4Å; K376-R379 PolarHBondContact O-N 2.89Å; K376-S380 PolarHBondContact O-N 3.32Å; K376-S380 PolarHBondContact O-OG 3.38Å; K376-E417 HydrophobicContact CG-CG 4.39Å; K376-E417 VanDerWaalsContact CG-OE1 3.31Å; K376-E417 WeakPolarHBondContact CG-OE1 3.36Å |
| 377 | R | 94.1 | Very high | 93 | Very high | 64 Ų | 64 | 35.2 Ų | 35.2 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -31 | 176.4 | -71.6 | 174.8 | -168.6 | -168.7 | 3.2 | 113.5 | M342 I357 E373 S374 L375 R379 S380 L381 | M342-R377 HydrophobicContact CE-CG 4.3Å; I357-R377 HydrophobicContact CD1-CB 3.8Å; I357-R377 HydrophobicContact CG1-CB 4.24Å; E373-R377 WeakPolarHBondContact O-CG 3.41Å; E373-R377 PolarHBondContact O-N 2.94Å; E373-R377 IonicContact OE1-CZ 3.73Å; E373-R377 IonicContact OE1-NE 3.03Å; E373-R377 PolarHBondContact OE1-NE 3.45Å; E373-R377 IonicContact OE1-NH2 2.69Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å; E373-R377 IonicContact OE2-NH2 2.72Å; S374-R377 PolarHBondContact O-N 3.12Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.11Å; R377-R379 VanDerWaalsContact C-N 3.28Å; R377-R379 PolarHBondContact O-N 2.85Å; R377-S380 WeakPolarHBondContact O-CB 3.38Å; R377-S380 PolarHBondContact O-N 3.23Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.36Å; R377-L381 PolarHBondContact O-N 2.94Å |
| 378 | V | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 171.7 | -179 | 0 | 0 | 0 | 0 | 110.5 | I357 S374 L375 K376 L381 I382 L399 T421 | I357-V378 HydrophobicContact CD1-CG2 4.14Å; I357-V378 HydrophobicContact CG2-CG2 3.72Å; S374-V378 PolarHBondContact O-N 2.98Å; L375-V378 WeakPolarHBondContact O-CB 3.31Å; L375-V378 PolarHBondContact O-N 3.24Å; L375-V378 VanDerWaalsContact O-N 3.12Å; K376-V378 VanDerWaalsContact C-N 3.28Å; K376-V378 PolarHBondContact O-N 2.8Å; V378-L381 PolarHBondContact O-N 2.9Å; V378-I382 HydrophobicContact CG1-CD1 4.18Å; V378-I382 WeakPolarHBondContact O-CG1 3.39Å; V378-I382 PolarHBondContact O-N 2.9Å; V378-L399 HydrophobicContact CG2-CD1 4.29Å; V378-T421 HydrophobicContact CB-CG2 3.88Å; V378-T421 HydrophobicContact CG1-CG2 4Å; V378-T421 HydrophobicContact CG2-CG2 4.43Å |
| 379 | R | 94.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 177.7 | -57.5 | -168.2 | -76.3 | 118.2 | -14.1 | 111.6 | A335 F336 V339 K376 R377 L381 I382 I383 E417 T421 Y424 | A335-R379 PolarHBondContact O-NH1 2.96Å; A335-R379 PolarHBondContact O-NH2 3.41Å; F336-R379 VanDerWaalsContact C-NH1 3.3Å; F336-R379 PolarHBondContact O-NH1 3.35Å; V339-R379 HydrophobicContact CG2-CB 3.93Å; K376-R379 WeakPolarHBondContact O-CA 3.41Å; K376-R379 WeakPolarHBondContact O-CB 3.4Å; K376-R379 PolarHBondContact O-N 2.89Å; R377-R379 VanDerWaalsContact C-N 3.28Å; R377-R379 PolarHBondContact O-N 2.85Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.09Å; R379-I382 PolarHBondContact O-N 2.97Å; R379-I383 WeakPolarHBondContact O-CG1 3.49Å; R379-I383 PolarHBondContact O-N 3.41Å; R379-E417 IonicContact CZ-OE1 3.1Å; R379-E417 IonicContact NE-OE1 3.35Å; R379-E417 PolarHBondContact NE-OE1 2.97Å; R379-E417 IonicContact NH2-OE1 2.65Å; R379-E417 PolarHBondContact NH2-OE1 2.7Å; R379-T421 HydrophobicContact CG-CG2 4.13Å; R379-Y424 HydrophobicContact CB-CD1 4.01Å; R379-Y424 HydrophobicContact CB-CE1 4.26Å; R379-Y424 HydrophobicContact CG-CD1 3.86Å |
| 380 | S | 93.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.6 | -41.8 | 173 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | P340 M342 K376 R377 G384 | P340-S380 WeakPolarHBondContact O-CA 3.36Å; P340-S380 WeakPolarHBondContact O-CB 3.32Å; P340-S380 PolarHBondContact O-OG 3.37Å; M342-S380 PolarHBondContact N-O 3.11Å; K376-S380 PolarHBondContact O-N 3.32Å; K376-S380 PolarHBondContact O-OG 3.38Å; R377-S380 WeakPolarHBondContact O-CB 3.38Å; R377-S380 PolarHBondContact O-N 3.23Å; S380-G384 PolarHBondContact O-N 3.45Å |
| 381 | L | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 176.6 | -71.5 | 169.1 | 0 | 0 | 0 | 111.7 | M342 V344 L350 Q353 M354 I357 R377 V378 R379 G384 G385 A386 | M342-L381 HydrophobicContact CB-CD2 4.45Å; M342-L381 HydrophobicContact CG-CD2 3.97Å; M342-L381 HydrophobicContact SD-CD2 3.91Å; M342-L381 HydrophobicContact SD-CG 4.27Å; V344-L381 HydrophobicContact CG2-CD2 3.39Å; L350-L381 HydrophobicContact CD1-CD2 4.31Å; Q353-L381 HydrophobicContact CB-CD1 4.23Å; Q353-L381 HydrophobicContact CB-CD2 4.37Å; M354-L381 HydrophobicContact CG-CD1 4.2Å; I357-L381 HydrophobicContact CD1-CD1 3.67Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.36Å; R377-L381 PolarHBondContact O-N 2.94Å; V378-L381 PolarHBondContact O-N 2.9Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.09Å; L381-G384 CarbonylContact O-C 3.42Å; L381-G384 VanDerWaalsContact O-CA 3.31Å; L381-G384 WeakPolarHBondContact O-CA 3.39Å; L381-G384 PolarHBondContact O-N 2.77Å; L381-G384 VanDerWaalsContact O-N 3.11Å; L381-G385 PolarHBondContact O-N 3.44Å; L381-A386 HydrophobicContact CB-CB 4Å; L381-A386 WeakPolarHBondContact O-CB 3.38Å; L381-A386 PolarHBondContact O-N 3.14Å |
| 382 | I | 93 | Very high | 92.4 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 177.4 | -66.7 | 165.5 | 0 | 0 | 0 | 110.8 | V378 R379 G384 G385 F392 Y424 T425 Q428 | V378-I382 HydrophobicContact CG1-CD1 4.18Å; V378-I382 WeakPolarHBondContact O-CG1 3.39Å; V378-I382 PolarHBondContact O-N 2.9Å; R379-I382 PolarHBondContact O-N 2.97Å; I382-G384 PolarHBondContact O-N 2.95Å; I382-G385 PolarHBondContact O-N 3.32Å; I382-F392 HydrophobicContact CD1-CZ 4Å; I382-F392 HydrophobicContact CG1-CE2 4.06Å; I382-F392 HydrophobicContact CG1-CZ 3.64Å; I382-Y424 HydrophobicContact CB-CE1 4.01Å; I382-Y424 HydrophobicContact CD1-CD1 4.39Å; I382-Y424 HydrophobicContact CG2-CD1 4.42Å; I382-Y424 HydrophobicContact CG2-CE1 3.7Å; I382-T425 HydrophobicContact CD1-CG2 4.19Å; I382-Q428 HydrophobicContact CG2-CB 3.72Å; I382-Q428 HydrophobicContact CG2-CG 3.73Å |
| 383 | I | 91.3 | Very high | 92.2 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -30.7 | 173.1 | -62.5 | 161.6 | 0 | 0 | 0 | 110.9 | E337 V339 K341 R379 G385 Y424 | E337-I383 HydrophobicContact CB-CD1 4.45Å; E337-I383 HydrophobicContact CG-CD1 4.36Å; V339-I383 HydrophobicContact CG2-CD1 3.54Å; K341-I383 HydrophobicContact CB-CG2 4.1Å; K341-I383 VanDerWaalsContact CE-O 3.26Å; K341-I383 WeakPolarHBondContact CE-O 3.45Å; K341-I383 HydrophobicContact CG-CG2 4.05Å; R379-I383 WeakPolarHBondContact O-CG1 3.49Å; R379-I383 PolarHBondContact O-N 3.41Å; I383-G385 PolarHBondContact O-N 3.02Å; I383-Y424 HydrophobicContact CD1-CE1 4.46Å; I383-Y424 HydrophobicContact CG1-CE1 4.06Å; I383-Y424 WeakPolarHBondContact CG1-OH 3.4Å |
| 384 | G | 88.9 | Confident | 92.1 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -8.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | M342 S380 L381 I382 | M342-G384 WeakPolarHBondContact O-CA 3.39Å; S380-G384 PolarHBondContact O-N 3.45Å; L381-G384 CarbonylContact O-C 3.42Å; L381-G384 VanDerWaalsContact O-CA 3.31Å; L381-G384 WeakPolarHBondContact O-CA 3.39Å; L381-G384 PolarHBondContact O-N 2.77Å; L381-G384 VanDerWaalsContact O-N 3.11Å; I382-G384 PolarHBondContact O-N 2.95Å |
| 385 | G | 89.1 | Confident | 92 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 14.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L381 I382 I383 S387 S388 | L381-G385 PolarHBondContact O-N 3.44Å; I382-G385 PolarHBondContact O-N 3.32Å; I383-G385 PolarHBondContact O-N 3.02Å; G385-S387 PolarHBondContact O-N 2.65Å; G385-S387 VanDerWaalsContact O-N 3.09Å; G385-S388 WeakPolarHBondContact O-CB 3.46Å; G385-S388 PolarHBondContact O-N 3.42Å; G385-S388 PolarHBondContact O-OG 3.31Å |
| 386 | A | 89.3 | Confident | 91.8 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -55.5 | -28.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L350 L381 S388 Y389 F392 | L350-A386 HydrophobicContact CD1-CB 3.69Å; L350-A386 HydrophobicContact CD2-CB 4.32Å; L381-A386 HydrophobicContact CB-CB 4Å; L381-A386 WeakPolarHBondContact O-CB 3.38Å; L381-A386 PolarHBondContact O-N 3.14Å; A386-S388 PolarHBondContact O-N 2.88Å; A386-S388 VanDerWaalsContact O-N 3.08Å; A386-Y389 PolarHBondContact O-N 2.89Å; A386-Y389 VanDerWaalsContact O-N 3.12Å; A386-F392 HydrophobicContact CB-CD2 3.84Å; A386-F392 HydrophobicContact CB-CE2 4.17Å; A386-F392 VanDerWaalsContact O-CB 3.3Å; A386-F392 WeakPolarHBondContact O-CB 3.35Å |
| 387 | S | 87.7 | Confident | 91.6 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -63.2 | -9.3 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 115 | G385 Y393 | G385-S387 PolarHBondContact O-N 2.65Å; G385-S387 VanDerWaalsContact O-N 3.09Å; S387-Y393 PolarHBondContact O-OH 3.43Å |
| 388 | S | 88.8 | Confident | 91.6 | Very high | 98 Ų | 98 | 40 Ų | 40 | 69% | 0.685 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -78.4 | -19.8 | 172.7 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | G385 A386 | G385-S388 WeakPolarHBondContact O-CB 3.46Å; G385-S388 PolarHBondContact O-N 3.42Å; G385-S388 PolarHBondContact O-OG 3.31Å; A386-S388 PolarHBondContact O-N 2.88Å; A386-S388 VanDerWaalsContact O-N 3.08Å |
| 389 | Y | 90.5 | Very high | 91.5 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -90.6 | 134.8 | 177.5 | -63.5 | -86.8 | 0 | 0 | 0 | 110.7 | V344 N346 A347 L350 A386 E391 F392 | V344-Y389 PolarHBondContact O-OH 3.24Å; N346-Y389 PolarHBondContact N-OH 3.49Å; A347-Y389 HydrophobicContact CB-CD1 4.13Å; L350-Y389 HydrophobicContact CD2-CD2 3.85Å; L350-Y389 HydrophobicContact CD2-CG 3.92Å; A386-Y389 PolarHBondContact O-N 2.89Å; A386-Y389 VanDerWaalsContact O-N 3.12Å; Y389-E391 VanDerWaalsContact C-N 3.27Å; Y389-E391 PolarHBondContact O-N 3.24Å; Y389-F392 WeakPolarHBondContact O-CB 3.4Å; Y389-F392 PolarHBondContact O-N 3.31Å |
| 390 | E | 89.7 | Confident | 91.4 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.5 | -25.7 | 177.9 | -78.5 | -68.4 | 159.8 | 0 | 0 | 112.2 | F392 Y393 R432 | E390-F392 PolarHBondContact O-N 3.26Å; E390-Y393 PolarHBondContact O-N 2.99Å; E390-R432 VanDerWaalsContact CD-NH1 3.31Å; E390-R432 IonicContact OE1-CZ 3.38Å; E390-R432 IonicContact OE1-NH1 2.78Å; E390-R432 PolarHBondContact OE1-NH1 2.82Å; E390-R432 IonicContact OE1-NH2 2.98Å; E390-R432 PolarHBondContact OE1-NH2 2.94Å; E390-R432 IonicContact OE2-NH1 3.07Å; E390-R432 PolarHBondContact OE2-NH1 2.71Å |
| 391 | E | 91.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.6 | -29.6 | 171.5 | -64.7 | 84.1 | 170.9 | 0 | 0 | 112.3 | A347 V351 Y389 Y393 T394 E395 | A347-E391 VanDerWaalsContact CB-CD 3.4Å; A347-E391 HydrophobicContact CB-CG 4Å; A347-E391 WeakPolarHBondContact CB-OE1 3.31Å; V351-E391 HydrophobicContact CG2-CB 3.9Å; V351-E391 HydrophobicContact CG2-CG 4.28Å; Y389-E391 VanDerWaalsContact C-N 3.27Å; Y389-E391 PolarHBondContact O-N 3.24Å; E391-Y393 VanDerWaalsContact C-N 3.32Å; E391-Y393 PolarHBondContact O-N 3.32Å; E391-T394 WeakPolarHBondContact O-CB 3.31Å; E391-T394 PolarHBondContact O-N 2.92Å; E391-T394 VanDerWaalsContact O-N 3.11Å; E391-E395 PolarHBondContact O-N 3.35Å |
| 392 | F | 93 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -46.9 | 175.1 | -178.7 | -107.1 | 0 | 0 | 0 | 111.7 | L350 M354 I382 A386 Y389 E390 T394 E395 L396 V429 | L350-F392 HydrophobicContact CD2-CB 3.94Å; L350-F392 HydrophobicContact CD2-CD2 4.48Å; M354-F392 HydrophobicContact CE-CD2 3.94Å; M354-F392 HydrophobicContact CE-CE2 3.91Å; M354-F392 HydrophobicContact SD-CD2 3.58Å; M354-F392 VanDerWaalsContact SD-CD2 3.58Å; M354-F392 HydrophobicContact SD-CE2 4.03Å; I382-F392 HydrophobicContact CD1-CZ 4Å; I382-F392 HydrophobicContact CG1-CE2 4.06Å; I382-F392 HydrophobicContact CG1-CZ 3.64Å; A386-F392 HydrophobicContact CB-CD2 3.84Å; A386-F392 HydrophobicContact CB-CE2 4.17Å; A386-F392 VanDerWaalsContact O-CB 3.3Å; A386-F392 WeakPolarHBondContact O-CB 3.35Å; Y389-F392 WeakPolarHBondContact O-CB 3.4Å; Y389-F392 PolarHBondContact O-N 3.31Å; E390-F392 PolarHBondContact O-N 3.26Å; F392-T394 VanDerWaalsContact C-N 3.27Å; F392-T394 PolarHBondContact O-N 3.45Å; F392-E395 PolarHBondContact O-N 3.42Å; F392-L396 HydrophobicContact CE1-CD2 4.07Å; F392-L396 HydrophobicContact CZ-CD2 4.47Å; F392-L396 WeakPolarHBondContact O-CB 3.34Å; F392-L396 PolarHBondContact O-N 2.96Å; F392-V429 HydrophobicContact CE1-CG2 4.01Å |
| 393 | Y | 91.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -26.6 | -179.1 | -55.9 | -74.8 | 0 | 0 | 0 | 112.2 | S387 E390 E391 V429 R432 | S387-Y393 PolarHBondContact O-OH 3.43Å; E390-Y393 PolarHBondContact O-N 2.99Å; E391-Y393 VanDerWaalsContact C-N 3.32Å; E391-Y393 PolarHBondContact O-N 3.32Å; Y393-V429 HydrophobicContact CD1-CG1 4.39Å; Y393-V429 HydrophobicContact CE1-CG1 3.99Å; Y393-V429 HydrophobicContact CE1-CG2 4.49Å; Y393-R432 HydrophobicContact CD1-CB 4.41Å; Y393-R432 HydrophobicContact CE1-CB 4.26Å |
| 394 | T | 91.8 | Very high | 91.8 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.4 | -48.1 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | E391 F392 R397 | E391-T394 WeakPolarHBondContact O-CB 3.31Å; E391-T394 PolarHBondContact O-N 2.92Å; E391-T394 VanDerWaalsContact O-N 3.11Å; F392-T394 VanDerWaalsContact C-N 3.27Å; F392-T394 PolarHBondContact O-N 3.45Å; T394-R397 PolarHBondContact O-N 2.94Å |
| 395 | E | 92.3 | Very high | 92 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.5 | -29.6 | 177.9 | -75.4 | -64.2 | 161.5 | 0 | 0 | 112.9 | V351 M354 Q355 E391 F392 R397 T398 L399 | V351-E395 HydrophobicContact CB-CG 4.43Å; V351-E395 HydrophobicContact CG1-CG 4.35Å; V351-E395 HydrophobicContact CG2-CG 4Å; M354-E395 HydrophobicContact CB-CB 3.9Å; M354-E395 HydrophobicContact CB-CG 4.36Å; M354-E395 HydrophobicContact CE-CB 3.74Å; M354-E395 HydrophobicContact CG-CB 4.37Å; M354-E395 HydrophobicContact SD-CB 3.6Å; M354-E395 VanDerWaalsContact SD-CB 3.6Å; Q355-E395 PolarHBondContact NE2-OE1 3.25Å; E391-E395 PolarHBondContact O-N 3.35Å; F392-E395 PolarHBondContact O-N 3.42Å; E395-R397 VanDerWaalsContact C-N 3.28Å; E395-R397 PolarHBondContact O-N 2.67Å; E395-T398 WeakPolarHBondContact O-CA 3.44Å; E395-T398 WeakPolarHBondContact O-CB 3.23Å; E395-T398 PolarHBondContact O-N 2.76Å; E395-T398 PolarHBondContact O-OG1 3.17Å; E395-T398 PolarHBondContact OE2-OG1 3.23Å; E395-T398 VanDerWaalsContact OE2-OG1 3.11Å; E395-L399 PolarHBondContact O-N 3.07Å |
| 396 | L | 92.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 175.5 | -179.9 | 61.3 | 0 | 0 | 0 | 111.8 | M354 F392 T398 L399 T425 V429 F433 F436 | M354-L396 HydrophobicContact CE-CB 4.23Å; F392-L396 HydrophobicContact CE1-CD2 4.07Å; F392-L396 HydrophobicContact CZ-CD2 4.47Å; F392-L396 WeakPolarHBondContact O-CB 3.34Å; F392-L396 PolarHBondContact O-N 2.96Å; L396-T398 PolarHBondContact O-N 3.12Å; L396-L399 WeakPolarHBondContact O-CB 3.39Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.1Å; L396-T425 HydrophobicContact CD1-CG2 4.06Å; L396-T425 HydrophobicContact CD2-CG2 4Å; L396-V429 HydrophobicContact CD2-CG2 4.35Å; L396-F433 HydrophobicContact CD2-CD2 4.33Å; L396-F436 HydrophobicContact CD1-CD2 4.34Å; L396-F436 HydrophobicContact CD1-CE2 4.1Å; L396-F436 HydrophobicContact CG-CD2 4.15Å; L396-F436 HydrophobicContact CG-CE2 4.35Å; L396-F436 WeakPolarHBondContact O-CE2 3.42Å |
| 397 | R | 91.9 | Very high | 92.6 | Very high | 153 Ų | 153 | 46.2 Ų | 46.2 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.1 | -32.3 | 172.1 | -67.8 | 176.6 | -175.9 | 148.8 | 3.5 | 112.2 | T394 E395 L399 E400 | T394-R397 PolarHBondContact O-N 2.94Å; E395-R397 VanDerWaalsContact C-N 3.28Å; E395-R397 PolarHBondContact O-N 2.67Å; R397-L399 PolarHBondContact O-N 3Å; R397-E400 WeakPolarHBondContact CA-OE1 3.47Å; R397-E400 WeakPolarHBondContact O-CB 3.43Å; R397-E400 VanDerWaalsContact O-CD 3.25Å; R397-E400 WeakPolarHBondContact O-CG 3.49Å; R397-E400 PolarHBondContact O-N 2.92Å |
| 398 | T | 92.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.202 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.1 | -17.1 | 179.4 | 87.7 | 0 | 0 | 0 | 0 | 113.3 | R358 E395 L396 P402 | R358-T398 WeakPolarHBondContact CD-OG1 3.33Å; R358-T398 PolarHBondContact NE-O 3.21Å; R358-T398 VanDerWaalsContact NE-O 3.14Å; E395-T398 WeakPolarHBondContact O-CA 3.44Å; E395-T398 WeakPolarHBondContact O-CB 3.23Å; E395-T398 PolarHBondContact O-N 2.76Å; E395-T398 PolarHBondContact O-OG1 3.17Å; E395-T398 PolarHBondContact OE2-OG1 3.23Å; E395-T398 VanDerWaalsContact OE2-OG1 3.11Å; L396-T398 PolarHBondContact O-N 3.12Å; T398-P402 WeakPolarHBondContact O-CD 3.45Å |
| 399 | L | 93.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.3 | 174.6 | -67.9 | 174.3 | 0 | 0 | 0 | 114.2 | M354 I357 R358 V378 E395 L396 R397 P402 L403 | M354-L399 HydrophobicContact CE-CD1 3.73Å; I357-L399 HydrophobicContact CG2-CD2 4.1Å; R358-L399 HydrophobicContact CB-CD2 3.75Å; R358-L399 HydrophobicContact CG-CD2 4.32Å; V378-L399 HydrophobicContact CG2-CD1 4.29Å; E395-L399 PolarHBondContact O-N 3.07Å; L396-L399 WeakPolarHBondContact O-CB 3.39Å; L396-L399 PolarHBondContact O-N 3.14Å; L396-L399 VanDerWaalsContact O-N 3.1Å; R397-L399 PolarHBondContact O-N 3Å; L399-P402 WeakPolarHBondContact O-CD 3.48Å; L399-L403 HydrophobicContact CB-CD1 4.27Å; L399-L403 WeakPolarHBondContact O-CB 3.35Å; L399-L403 PolarHBondContact O-N 3.41Å |
| 400 | E | 93 | Very high | 93.1 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.3 | -58.5 | 179.1 | -73.7 | 167.2 | -173.1 | 0 | 0 | 112.6 | R397 L403 Q404 H435 F436 L439 | R397-E400 WeakPolarHBondContact CA-OE1 3.47Å; R397-E400 WeakPolarHBondContact O-CB 3.43Å; R397-E400 VanDerWaalsContact O-CD 3.25Å; R397-E400 WeakPolarHBondContact O-CG 3.49Å; R397-E400 PolarHBondContact O-N 2.92Å; E400-L403 PolarHBondContact O-N 3.5Å; E400-Q404 WeakPolarHBondContact O-CG 3.37Å; E400-Q404 PolarHBondContact O-N 3.03Å; E400-H435 IonicContact OE1-CD2 2.69Å; E400-H435 PolarHBondContact OE1-CD2 2.95Å; E400-F436 HydrophobicContact CB-CD2 4.44Å; E400-F436 HydrophobicContact CB-CE2 4.1Å; E400-F436 HydrophobicContact CB-CZ 4.45Å; E400-F436 HydrophobicContact CG-CD2 3.34Å; E400-F436 HydrophobicContact CG-CE2 3.43Å; E400-F436 VanDerWaalsContact CG-CE2 3.43Å; E400-F436 HydrophobicContact CG-CG 4Å; E400-F436 HydrophobicContact CG-CZ 4.13Å; E400-L439 HydrophobicContact CG-CD1 4.37Å; E400-L439 WeakPolarHBondContact OE2-CD1 3.41Å |
| 401 | V | 93.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 53 Ų | 53 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 179.7 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | L403 Q404 L405 | V401-L403 PolarHBondContact O-N 3.29Å; V401-Q404 PolarHBondContact O-N 3.18Å; V401-L405 HydrophobicContact CG1-CD1 4.25Å; V401-L405 WeakPolarHBondContact O-CG 3.35Å; V401-L405 PolarHBondContact O-N 3.43Å |
| 402 | P | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.3 | -46.6 | 171.8 | -26.9 | 31 | 0 | 0 | 0 | 114.1 | R358 V361 I362 T398 L399 L405 A406 | R358-P402 HydrophobicContact CG-CG 3.97Å; V361-P402 HydrophobicContact CB-CB 4.06Å; V361-P402 HydrophobicContact CG1-CB 3.77Å; I362-P402 HydrophobicContact CB-CB 4.33Å; I362-P402 HydrophobicContact CB-CG 4.07Å; I362-P402 HydrophobicContact CD1-CG 4.32Å; I362-P402 HydrophobicContact CG1-CG 4.22Å; T398-P402 WeakPolarHBondContact O-CD 3.45Å; L399-P402 WeakPolarHBondContact O-CD 3.48Å; P402-L405 PolarHBondContact O-N 2.9Å; P402-A406 PolarHBondContact O-N 3.04Å |
| 403 | L | 94.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 179.3 | -82.9 | 164.6 | 0 | 0 | 0 | 112.3 | L375 L399 E400 V401 L405 A406 C407 A418 T421 V422 F436 | L375-L403 HydrophobicContact CD2-CD2 3.38Å; L375-L403 HydrophobicContact CD2-CG 4.45Å; L399-L403 HydrophobicContact CB-CD1 4.27Å; L399-L403 WeakPolarHBondContact O-CB 3.35Å; L399-L403 PolarHBondContact O-N 3.41Å; E400-L403 PolarHBondContact O-N 3.5Å; V401-L403 PolarHBondContact O-N 3.29Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 3.39Å; L403-A406 PolarHBondContact O-N 3.17Å; L403-C407 WeakPolarHBondContact O-CB 3.11Å; L403-C407 PolarHBondContact O-N 3.18Å; L403-C407 PolarHBondContact O-SG 2.96Å; L403-A418 HydrophobicContact CD2-CB 4.45Å; L403-T421 HydrophobicContact CD2-CG2 4.41Å; L403-V422 HydrophobicContact CD1-CG2 4.48Å; L403-V422 HydrophobicContact CD2-CG2 4.24Å; L403-F436 HydrophobicContact CB-CZ 4.04Å; L403-F436 HydrophobicContact CD1-CE1 4.32Å; L403-F436 HydrophobicContact CD1-CE2 4.3Å; L403-F436 HydrophobicContact CD1-CZ 3.53Å; L403-F436 HydrophobicContact CG-CZ 4.4Å |
| 404 | Q | 95.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 55 Ų | 55 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 170.4 | -75.4 | -176.7 | -3.4 | 0 | 0 | 112.8 | E400 V401 K408 L439 I440 V443 | E400-Q404 WeakPolarHBondContact O-CG 3.37Å; E400-Q404 PolarHBondContact O-N 3.03Å; V401-Q404 PolarHBondContact O-N 3.18Å; Q404-K408 WeakPolarHBondContact O-CD 3.34Å; Q404-K408 VanDerWaalsContact O-CG 3.31Å; Q404-K408 WeakPolarHBondContact O-CG 3.36Å; Q404-K408 PolarHBondContact O-N 3.16Å; Q404-L439 PolarHBondContact NE2-O 3.03Å; Q404-I440 HydrophobicContact CB-CD1 4.29Å; Q404-I440 HydrophobicContact CG-CD1 3.67Å; Q404-V443 HydrophobicContact CB-CG2 4.32Å; Q404-V443 HydrophobicContact CG-CG2 3.96Å |
| 405 | L | 94.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 44% | 0.44 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70 | -43.6 | 175.8 | -69 | 171 | 0 | 0 | 0 | 111.2 | I362 V401 P402 L403 C407 K408 D409 | I362-L405 HydrophobicContact CG1-CD1 4.1Å; V401-L405 HydrophobicContact CG1-CD1 4.25Å; V401-L405 WeakPolarHBondContact O-CG 3.35Å; V401-L405 PolarHBondContact O-N 3.43Å; P402-L405 PolarHBondContact O-N 2.9Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 3.39Å; L405-C407 PolarHBondContact O-N 3.41Å; L405-K408 CarbonylContact O-C 3.56Å; L405-K408 WeakPolarHBondContact O-CA 3.33Å; L405-K408 PolarHBondContact O-N 2.92Å; L405-D409 PolarHBondContact O-N 3Å |
| 406 | A | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V361 L375 P402 L403 K408 D409 V414 A418 | V361-A406 HydrophobicContact CG1-CB 4.04Å; L375-A406 HydrophobicContact CD1-CB 4.27Å; L375-A406 HydrophobicContact CD2-CB 4.46Å; P402-A406 PolarHBondContact O-N 3.04Å; L403-A406 PolarHBondContact O-N 3.17Å; A406-K408 PolarHBondContact O-N 3.46Å; A406-D409 WeakPolarHBondContact O-CB 3.48Å; A406-D409 PolarHBondContact O-N 3.41Å; A406-V414 HydrophobicContact CB-CG1 4.24Å; A406-A418 HydrophobicContact CB-CB 3.76Å |
| 407 | C | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.5 | 171.3 | -73.3 | 0 | 0 | 0 | 0 | 113.5 | L403 L405 V415 V443 L447 | L403-C407 WeakPolarHBondContact O-CB 3.11Å; L403-C407 PolarHBondContact O-N 3.18Å; L403-C407 PolarHBondContact O-SG 2.96Å; L405-C407 PolarHBondContact O-N 3.41Å; C407-V415 WeakPolarHBondContact O-CG1 3.29Å; C407-V443 HydrophobicContact CB-CG1 3.74Å; C407-L447 WeakPolarHBondContact O-CD2 3.4Å |
| 408 | K | 93.3 | Very high | 93.9 | Very high | 119 Ų | 119 | 46 Ų | 46 | 52% | 0.517 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 9.9 | 177.9 | -68 | 172.3 | -175.7 | 169.4 | 0 | 113.3 | Q404 L405 A406 V443 | Q404-K408 WeakPolarHBondContact O-CD 3.34Å; Q404-K408 VanDerWaalsContact O-CG 3.31Å; Q404-K408 WeakPolarHBondContact O-CG 3.36Å; Q404-K408 PolarHBondContact O-N 3.16Å; L405-K408 CarbonylContact O-C 3.56Å; L405-K408 WeakPolarHBondContact O-CA 3.33Å; L405-K408 PolarHBondContact O-N 2.92Å; A406-K408 PolarHBondContact O-N 3.46Å; K408-V443 HydrophobicContact CD-CG1 4.2Å; K408-V443 VanDerWaalsContact CE-CG2 3.47Å; K408-V443 HydrophobicContact CG-CG1 3.73Å |
| 409 | D | 93.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | trans | -61.9 | 148.7 | -179.2 | -160 | -56.7 | 0 | 0 | 0 | 111.7 | R371 L405 A406 R411 V414 V415 | R371-D409 IonicContact CZ-OD2 2.83Å; R371-D409 IonicContact NE-OD2 3.58Å; R371-D409 PolarHBondContact NE-OD2 3.47Å; R371-D409 IonicContact NH2-OD2 2.69Å; R371-D409 PolarHBondContact NH2-OD2 2.84Å; L405-D409 PolarHBondContact O-N 3Å; A406-D409 WeakPolarHBondContact O-CB 3.48Å; A406-D409 PolarHBondContact O-N 3.41Å; D409-R411 PolarHBondContact O-N 3.18Å; D409-R411 PolarHBondContact OD1-N 3.02Å; D409-V414 HydrophobicContact CB-CB 3.86Å; D409-V414 HydrophobicContact CB-CG1 3.87Å; D409-V415 HydrophobicContact CB-CG2 4.01Å; D409-V415 VanDerWaalsContact O-CG2 3.26Å; D409-V415 WeakPolarHBondContact O-CG2 3.45Å | ||
| 410 | L | 90.6 | Very high | 94.2 | Very high | 179 Ų | 179 | 44.3 Ų | 44.3 | 94% | 0.937 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -67.7 | -22.4 | 174.5 | -65.9 | 172.5 | 0 | 0 | 0 | 112.2 | ||
| 411 | R | 92.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 43 Ų | 43 | 44% | 0.442 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -92 | 117.6 | 178.2 | -69.3 | 178.3 | 175.7 | 77.5 | -5.7 | 111.2 | D409 Q413 V414 V415 | D409-R411 PolarHBondContact O-N 3.18Å; D409-R411 PolarHBondContact OD1-N 3.02Å; R411-Q413 PolarHBondContact O-N 2.87Å; R411-Q413 VanDerWaalsContact O-N 3.14Å; R411-V414 HydrophobicContact CB-CB 4.49Å; R411-V414 HydrophobicContact CB-CG2 3.96Å; R411-V414 PolarHBondContact O-N 3.45Å; R411-V414 VanDerWaalsContact O-N 3.11Å; R411-V415 PolarHBondContact O-N 3.3Å |
| 412 | S | 92.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 35% | 0.35 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.2 | -28.3 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | R416 | S412-R416 WeakPolarHBondContact O-CB 3.45Å; S412-R416 PolarHBondContact O-N 3.36Å |
| 413 | Q | 92.4 | Very high | 94.5 | Very high | 116 Ų | 116 | 39 Ų | 39 | 54% | 0.542 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 175.5 | -71.8 | 167.8 | -68.6 | 0 | 0 | 112.1 | W368 I372 R411 V415 R416 E417 | W368-Q413 HydrophobicContact CZ3-CB 4.07Å; I372-Q413 HydrophobicContact CD1-CB 3.92Å; R411-Q413 PolarHBondContact O-N 2.87Å; R411-Q413 VanDerWaalsContact O-N 3.14Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; Q413-V415 PolarHBondContact O-N 2.95Å; Q413-R416 PolarHBondContact O-N 3Å; Q413-E417 PolarHBondContact O-N 2.95Å |
| 414 | V | 94.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.4 | -176 | 0 | 0 | 0 | 0 | 110 | W368 I372 L375 A406 D409 R411 E417 A418 | W368-V414 HydrophobicContact CB-CG2 4.05Å; W368-V414 HydrophobicContact CE3-CG2 4.18Å; I372-V414 HydrophobicContact CD1-CG2 4.08Å; I372-V414 HydrophobicContact CG1-CB 4.5Å; I372-V414 HydrophobicContact CG1-CG2 4.06Å; L375-V414 HydrophobicContact CD1-CG1 4.34Å; A406-V414 HydrophobicContact CB-CG1 4.24Å; D409-V414 HydrophobicContact CB-CB 3.86Å; D409-V414 HydrophobicContact CB-CG1 3.87Å; R411-V414 HydrophobicContact CB-CB 4.49Å; R411-V414 HydrophobicContact CB-CG2 3.96Å; R411-V414 PolarHBondContact O-N 3.45Å; R411-V414 VanDerWaalsContact O-N 3.11Å; V414-E417 PolarHBondContact O-N 2.93Å; V414-A418 WeakPolarHBondContact O-CB 3.26Å; V414-A418 PolarHBondContact O-N 3.3Å |
| 415 | V | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | C407 D409 R411 Q413 A418 C419 L447 V455 | C407-V415 WeakPolarHBondContact O-CG1 3.29Å; D409-V415 HydrophobicContact CB-CG2 4.01Å; D409-V415 VanDerWaalsContact O-CG2 3.26Å; D409-V415 WeakPolarHBondContact O-CG2 3.45Å; R411-V415 PolarHBondContact O-N 3.3Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; Q413-V415 PolarHBondContact O-N 2.95Å; V415-A418 PolarHBondContact O-N 3.17Å; V415-C419 WeakPolarHBondContact O-CB 3.27Å; V415-C419 PolarHBondContact O-N 3.13Å; V415-C419 PolarHBondContact O-SG 3.09Å; V415-L447 HydrophobicContact CG1-CD1 3.7Å; V415-L447 HydrophobicContact CG1-CD2 4.4Å; V415-V455 HydrophobicContact CB-CG2 4.42Å; V415-V455 HydrophobicContact CG1-CG1 3.85Å; V415-V455 HydrophobicContact CG1-CG2 4.38Å |
| 416 | R | 93.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 175.5 | 177.6 | 178.5 | 179.9 | -86.6 | -0.5 | 111.1 | S412 Q413 A418 C419 I420 | S412-R416 WeakPolarHBondContact O-CB 3.45Å; S412-R416 PolarHBondContact O-N 3.36Å; Q413-R416 PolarHBondContact O-N 3Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 2.9Å; R416-C419 PolarHBondContact O-N 3.11Å; R416-I420 HydrophobicContact CG-CD1 3.86Å; R416-I420 WeakPolarHBondContact O-CG1 3.44Å; R416-I420 PolarHBondContact O-N 2.85Å |
| 417 | E | 94.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | -179.8 | -168.8 | 62.4 | -136.1 | 0 | 0 | 111.9 | I372 L375 K376 R379 Q413 V414 I420 T421 | I372-E417 HydrophobicContact CG1-CB 4.3Å; I372-E417 HydrophobicContact CG2-CG 4.12Å; L375-E417 HydrophobicContact CB-CG 3.84Å; L375-E417 HydrophobicContact CD1-CB 4.18Å; L375-E417 HydrophobicContact CD1-CG 4.12Å; K376-E417 HydrophobicContact CG-CG 4.39Å; K376-E417 VanDerWaalsContact CG-OE1 3.31Å; K376-E417 WeakPolarHBondContact CG-OE1 3.36Å; R379-E417 IonicContact CZ-OE1 3.1Å; R379-E417 IonicContact NE-OE1 3.35Å; R379-E417 PolarHBondContact NE-OE1 2.97Å; R379-E417 IonicContact NH2-OE1 2.65Å; R379-E417 PolarHBondContact NH2-OE1 2.7Å; Q413-E417 PolarHBondContact O-N 2.95Å; V414-E417 PolarHBondContact O-N 2.93Å; E417-I420 PolarHBondContact O-N 2.95Å; E417-T421 WeakPolarHBondContact O-CB 3.38Å; E417-T421 PolarHBondContact O-N 3.1Å; E417-T421 PolarHBondContact O-OG1 3.45Å |
| 418 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L375 L403 A406 V414 V415 R416 T421 V422 | L375-A418 HydrophobicContact CD1-CB 4.11Å; L403-A418 HydrophobicContact CD2-CB 4.45Å; A406-A418 HydrophobicContact CB-CB 3.76Å; V414-A418 WeakPolarHBondContact O-CB 3.26Å; V414-A418 PolarHBondContact O-N 3.3Å; V415-A418 PolarHBondContact O-N 3.17Å; R416-A418 VanDerWaalsContact C-N 3.35Å; R416-A418 PolarHBondContact O-N 2.9Å; A418-T421 PolarHBondContact O-N 3.28Å; A418-V422 VanDerWaalsContact O-CG2 3.32Å; A418-V422 WeakPolarHBondContact O-CG2 3.46Å; A418-V422 PolarHBondContact O-N 2.94Å |
| 419 | C | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.5 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | F332 V415 R416 V422 A423 A462 | F332-C419 HydrophobicContact CE2-CB 4.24Å; F332-C419 HydrophobicContact CZ-CB 4.18Å; V415-C419 WeakPolarHBondContact O-CB 3.27Å; V415-C419 PolarHBondContact O-N 3.13Å; V415-C419 PolarHBondContact O-SG 3.09Å; R416-C419 PolarHBondContact O-N 3.11Å; C419-V422 PolarHBondContact O-N 3.06Å; C419-A423 WeakPolarHBondContact O-CB 3.4Å; C419-A423 PolarHBondContact O-N 3.35Å; C419-A462 HydrophobicContact CB-CB 4.12Å |
| 420 | I | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.4 | -70.4 | 165.6 | 0 | 0 | 0 | 110.3 | F332 A335 F336 R416 E417 V422 A423 Y424 | F332-I420 HydrophobicContact CD1-CG1 4.43Å; F332-I420 HydrophobicContact CD2-CD1 4.4Å; F332-I420 HydrophobicContact CD2-CG1 3.76Å; F332-I420 HydrophobicContact CE1-CG1 4.2Å; F332-I420 HydrophobicContact CE2-CD1 4.43Å; F332-I420 HydrophobicContact CE2-CG1 3.46Å; F332-I420 VanDerWaalsContact CE2-CG1 3.46Å; F332-I420 HydrophobicContact CG-CG1 4.25Å; F332-I420 HydrophobicContact CZ-CB 4.37Å; F332-I420 HydrophobicContact CZ-CG1 3.72Å; A335-I420 HydrophobicContact CB-CD1 3.92Å; A335-I420 HydrophobicContact CB-CG2 4.37Å; F336-I420 HydrophobicContact CD1-CG2 3.95Å; F336-I420 HydrophobicContact CE1-CG2 4.27Å; R416-I420 HydrophobicContact CG-CD1 3.86Å; R416-I420 WeakPolarHBondContact O-CG1 3.44Å; R416-I420 PolarHBondContact O-N 2.85Å; E417-I420 PolarHBondContact O-N 2.95Å; I420-V422 PolarHBondContact O-N 3.2Å; I420-A423 PolarHBondContact O-N 3.34Å; I420-Y424 WeakPolarHBondContact O-CB 3.43Å; I420-Y424 PolarHBondContact O-N 2.75Å |
| 421 | T | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 112 | V378 R379 L403 E417 A418 T425 | V378-T421 HydrophobicContact CB-CG2 3.88Å; V378-T421 HydrophobicContact CG1-CG2 4Å; V378-T421 HydrophobicContact CG2-CG2 4.43Å; R379-T421 HydrophobicContact CG-CG2 4.13Å; L403-T421 HydrophobicContact CD2-CG2 4.41Å; E417-T421 WeakPolarHBondContact O-CB 3.38Å; E417-T421 PolarHBondContact O-N 3.1Å; E417-T421 PolarHBondContact O-OG1 3.45Å; A418-T421 PolarHBondContact O-N 3.28Å; T421-T425 WeakPolarHBondContact O-CB 3.49Å; T421-T425 PolarHBondContact O-N 3.23Å; T421-T425 PolarHBondContact O-OG1 2.89Å |
| 422 | V | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -44 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L403 A418 C419 I420 T425 A426 F433 I440 L444 I466 | L403-V422 HydrophobicContact CD1-CG2 4.48Å; L403-V422 HydrophobicContact CD2-CG2 4.24Å; A418-V422 VanDerWaalsContact O-CG2 3.32Å; A418-V422 WeakPolarHBondContact O-CG2 3.46Å; A418-V422 PolarHBondContact O-N 2.94Å; C419-V422 PolarHBondContact O-N 3.06Å; I420-V422 PolarHBondContact O-N 3.2Å; V422-T425 PolarHBondContact O-N 3.04Å; V422-A426 WeakPolarHBondContact O-CB 3.36Å; V422-A426 PolarHBondContact O-N 3.35Å; V422-F433 HydrophobicContact CG1-CE1 4.36Å; V422-F433 HydrophobicContact CG1-CZ 4.15Å; V422-I440 HydrophobicContact CG1-CG1 4.21Å; V422-I440 HydrophobicContact CG1-CG2 4.08Å; V422-I440 HydrophobicContact CG2-CG1 4.09Å; V422-L444 HydrophobicContact CG1-CD1 4.11Å; V422-I466 HydrophobicContact CG1-CD1 3.98Å |
| 423 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F332 F336 C419 I420 A426 E427 A462 F465 | F332-A423 HydrophobicContact CE1-CB 3.62Å; F332-A423 HydrophobicContact CZ-CB 4.1Å; F336-A423 HydrophobicContact CE1-CB 4.07Å; F336-A423 HydrophobicContact CZ-CB 3.74Å; C419-A423 WeakPolarHBondContact O-CB 3.4Å; C419-A423 PolarHBondContact O-N 3.35Å; I420-A423 PolarHBondContact O-N 3.34Å; A423-A426 PolarHBondContact O-N 2.88Å; A423-E427 PolarHBondContact O-N 3.33Å; A423-A462 HydrophobicContact CB-CB 4.33Å; A423-F465 HydrophobicContact CB-CB 3.92Å; A423-F465 HydrophobicContact CB-CD2 4.27Å; A423-F465 HydrophobicContact CB-CG 4.06Å |
| 424 | Y | 94.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 26 Ų | 26 | 2% | 0.024 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.3 | -174.4 | -113.4 | 0 | 0 | 0 | 111.8 | F336 E337 R379 I382 I383 I420 A426 E427 Q428 | F336-Y424 HydrophobicContact CB-CD2 3.58Å; F336-Y424 HydrophobicContact CB-CE2 4.02Å; F336-Y424 HydrophobicContact CB-CG 4.32Å; F336-Y424 AromaticContact CD2-CD2 3.59Å; F336-Y424 HydrophobicContact CD2-CD2 3.59Å; F336-Y424 HydrophobicContact CD2-CE2 4.42Å; F336-Y424 HydrophobicContact CD2-CG 4.43Å; F336-Y424 HydrophobicContact CE2-CD2 4.38Å; F336-Y424 AromaticContact CG-CD2 3.72Å; F336-Y424 HydrophobicContact CG-CD2 3.72Å; F336-Y424 HydrophobicContact CG-CG 4.35Å; E337-Y424 HydrophobicContact CG-CE2 4.42Å; R379-Y424 HydrophobicContact CB-CD1 4.01Å; R379-Y424 HydrophobicContact CB-CE1 4.26Å; R379-Y424 HydrophobicContact CG-CD1 3.86Å; I382-Y424 HydrophobicContact CB-CE1 4.01Å; I382-Y424 HydrophobicContact CD1-CD1 4.39Å; I382-Y424 HydrophobicContact CG2-CD1 4.42Å; I382-Y424 HydrophobicContact CG2-CE1 3.7Å; I383-Y424 HydrophobicContact CD1-CE1 4.46Å; I383-Y424 HydrophobicContact CG1-CE1 4.06Å; I383-Y424 WeakPolarHBondContact CG1-OH 3.4Å; I420-Y424 WeakPolarHBondContact O-CB 3.43Å; I420-Y424 PolarHBondContact O-N 2.75Å; Y424-A426 VanDerWaalsContact C-N 3.33Å; Y424-A426 PolarHBondContact O-N 3.29Å; Y424-E427 PolarHBondContact O-N 3Å; Y424-Q428 HydrophobicContact CD1-CG 4.27Å; Y424-Q428 HydrophobicContact CD2-CG 4.14Å; Y424-Q428 HydrophobicContact CE1-CG 3.89Å; Y424-Q428 HydrophobicContact CE2-CG 3.77Å; Y424-Q428 HydrophobicContact CG-CG 4.4Å; Y424-Q428 WeakPolarHBondContact O-CG 3.31Å; Y424-Q428 PolarHBondContact O-N 3.3Å |
| 425 | T | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | I382 L396 T421 V422 E427 Q428 V429 F433 | I382-T425 HydrophobicContact CD1-CG2 4.19Å; L396-T425 HydrophobicContact CD1-CG2 4.06Å; L396-T425 HydrophobicContact CD2-CG2 4Å; T421-T425 WeakPolarHBondContact O-CB 3.49Å; T421-T425 PolarHBondContact O-N 3.23Å; T421-T425 PolarHBondContact O-OG1 2.89Å; V422-T425 PolarHBondContact O-N 3.04Å; T425-E427 VanDerWaalsContact C-N 3.31Å; T425-E427 PolarHBondContact O-N 3.07Å; T425-Q428 PolarHBondContact O-N 3.48Å; T425-V429 HydrophobicContact CG2-CG2 3.9Å; T425-V429 WeakPolarHBondContact O-CB 3.34Å; T425-V429 VanDerWaalsContact O-CG2 3.3Å; T425-V429 WeakPolarHBondContact O-CG2 3.49Å; T425-V429 PolarHBondContact O-N 2.92Å; T425-F433 HydrophobicContact CG2-CD2 3.92Å; T425-F433 HydrophobicContact CG2-CE2 3.65Å |
| 426 | A | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V422 A423 Y424 G430 F433 I466 N469 | V422-A426 WeakPolarHBondContact O-CB 3.36Å; V422-A426 PolarHBondContact O-N 3.35Å; A423-A426 PolarHBondContact O-N 2.88Å; Y424-A426 VanDerWaalsContact C-N 3.33Å; Y424-A426 PolarHBondContact O-N 3.29Å; A426-G430 WeakPolarHBondContact O-CA 3.49Å; A426-G430 PolarHBondContact O-N 2.9Å; A426-G430 VanDerWaalsContact O-N 3.13Å; A426-F433 HydrophobicContact CB-CD1 3.65Å; A426-F433 HydrophobicContact CB-CE1 3.75Å; A426-F433 HydrophobicContact CB-CG 4.3Å; A426-F433 HydrophobicContact CB-CZ 4.46Å; A426-I466 HydrophobicContact CB-CG1 4Å; A426-N469 VanDerWaalsContact O-CB 3.31Å; A426-N469 WeakPolarHBondContact O-CB 3.46Å |
| 427 | E | 92.5 | Very high | 92.8 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 30% | 0.304 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -70 | -48.6 | 174.5 | -175.5 | 168.1 | -128 | 0 | 0 | 112.7 | F336 A423 Y424 T425 N469 | F336-E427 WeakPolarHBondContact CD2-OE2 3.49Å; F336-E427 VanDerWaalsContact CE2-OE2 3.23Å; F336-E427 WeakPolarHBondContact CE2-OE2 3.45Å; A423-E427 PolarHBondContact O-N 3.33Å; Y424-E427 PolarHBondContact O-N 3Å; T425-E427 VanDerWaalsContact C-N 3.31Å; T425-E427 PolarHBondContact O-N 3.07Å; E427-N469 VanDerWaalsContact CA-ND2 3.31Å; E427-N469 WeakPolarHBondContact CA-ND2 3.46Å; E427-N469 WeakPolarHBondContact CB-ND2 3.11Å |
| 428 | Q | 91.4 | Very high | 92.7 | Very high | 87 Ų | 87 | 29.2 Ų | 29.2 | 41% | 0.407 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -75.5 | -31 | -175.8 | -61.2 | -61.2 | -31.5 | 0 | 0 | 113.4 | I382 Y424 T425 | I382-Q428 HydrophobicContact CG2-CB 3.72Å; I382-Q428 HydrophobicContact CG2-CG 3.73Å; Y424-Q428 HydrophobicContact CD1-CG 4.27Å; Y424-Q428 HydrophobicContact CD2-CG 4.14Å; Y424-Q428 HydrophobicContact CE1-CG 3.89Å; Y424-Q428 HydrophobicContact CE2-CG 3.77Å; Y424-Q428 HydrophobicContact CG-CG 4.4Å; Y424-Q428 WeakPolarHBondContact O-CG 3.31Å; Y424-Q428 PolarHBondContact O-N 3.3Å; T425-Q428 PolarHBondContact O-N 3.48Å |
| 429 | V | 90.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 7% | 0.073 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -89.4 | -25.4 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | F392 Y393 L396 T425 R432 F433 | F392-V429 HydrophobicContact CE1-CG2 4.01Å; Y393-V429 HydrophobicContact CD1-CG1 4.39Å; Y393-V429 HydrophobicContact CE1-CG1 3.99Å; Y393-V429 HydrophobicContact CE1-CG2 4.49Å; L396-V429 HydrophobicContact CD2-CG2 4.35Å; T425-V429 HydrophobicContact CG2-CG2 3.9Å; T425-V429 WeakPolarHBondContact O-CB 3.34Å; T425-V429 VanDerWaalsContact O-CG2 3.3Å; T425-V429 WeakPolarHBondContact O-CG2 3.49Å; T425-V429 PolarHBondContact O-N 2.92Å; V429-R432 HydrophobicContact CG1-CB 3.56Å; V429-R432 PolarHBondContact O-N 3.28Å; V429-F433 HydrophobicContact CB-CB 4.15Å; V429-F433 HydrophobicContact CG1-CB 3.83Å |
| 430 | G | 88 | Confident | 92.5 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | 54.3 | -134.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A426 R432 F433 N469 T470 | A426-G430 WeakPolarHBondContact O-CA 3.49Å; A426-G430 PolarHBondContact O-N 2.9Å; A426-G430 VanDerWaalsContact O-N 3.13Å; G430-R432 PolarHBondContact O-N 2.87Å; G430-F433 WeakPolarHBondContact O-CB 3.47Å; G430-F433 PolarHBondContact O-N 3.14Å; G430-N469 CarbonylContact C-O 3.58Å; G430-T470 WeakPolarHBondContact O-CG2 3.18Å |
| 431 | P | 87.8 | Confident | 92.5 | Very high | 99 Ų | 99 | 32.2 Ų | 32.2 | 64% | 0.643 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -56.5 | -24.3 | -175.1 | -27.6 | 35.5 | 0 | 0 | 0 | 116.2 | F433 D434 | P431-F433 PolarHBondContact O-N 3.22Å; P431-D434 WeakPolarHBondContact O-CB 3.38Å; P431-D434 PolarHBondContact O-N 3.47Å |
| 432 | R | 88.6 | Confident | 92.4 | Very high | 141 Ų | 141 | 35.1 Ų | 35.1 | 53% | 0.532 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -68.6 | -11.3 | 177.2 | -74.2 | -174.5 | -179.5 | -145.6 | 5.5 | 113.1 | E390 Y393 V429 G430 D434 | E390-R432 VanDerWaalsContact CD-NH1 3.31Å; E390-R432 IonicContact OE1-CZ 3.38Å; E390-R432 IonicContact OE1-NH1 2.78Å; E390-R432 PolarHBondContact OE1-NH1 2.82Å; E390-R432 IonicContact OE1-NH2 2.98Å; E390-R432 PolarHBondContact OE1-NH2 2.94Å; E390-R432 IonicContact OE2-NH1 3.07Å; E390-R432 PolarHBondContact OE2-NH1 2.71Å; Y393-R432 HydrophobicContact CD1-CB 4.41Å; Y393-R432 HydrophobicContact CE1-CB 4.26Å; V429-R432 HydrophobicContact CG1-CB 3.56Å; V429-R432 PolarHBondContact O-N 3.28Å; G430-R432 PolarHBondContact O-N 2.87Å; R432-D434 VanDerWaalsContact C-N 3.29Å; R432-D434 PolarHBondContact O-N 2.95Å |
| 433 | F | 91.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -85.5 | 5.9 | -179.8 | -167.1 | -105.8 | 0 | 0 | 0 | 113.1 | L396 V422 T425 A426 V429 G430 P431 H435 F436 A437 I466 T470 | L396-F433 HydrophobicContact CD2-CD2 4.33Å; V422-F433 HydrophobicContact CG1-CE1 4.36Å; V422-F433 HydrophobicContact CG1-CZ 4.15Å; T425-F433 HydrophobicContact CG2-CD2 3.92Å; T425-F433 HydrophobicContact CG2-CE2 3.65Å; A426-F433 HydrophobicContact CB-CD1 3.65Å; A426-F433 HydrophobicContact CB-CE1 3.75Å; A426-F433 HydrophobicContact CB-CG 4.3Å; A426-F433 HydrophobicContact CB-CZ 4.46Å; V429-F433 HydrophobicContact CB-CB 4.15Å; V429-F433 HydrophobicContact CG1-CB 3.83Å; G430-F433 WeakPolarHBondContact O-CB 3.47Å; G430-F433 PolarHBondContact O-N 3.14Å; P431-F433 PolarHBondContact O-N 3.22Å; F433-H435 PolarHBondContact O-N 3.47Å; F433-F436 HydrophobicContact CD1-CB 4.44Å; F433-F436 HydrophobicContact CD2-CB 3.83Å; F433-F436 HydrophobicContact CD2-CD1 4.44Å; F433-F436 HydrophobicContact CD2-CG 4.09Å; F433-F436 HydrophobicContact CE1-CB 4.32Å; F433-F436 AromaticContact CE1-CD1 3.95Å; F433-F436 HydrophobicContact CE1-CD1 3.95Å; F433-F436 HydrophobicContact CE1-CG 4.43Å; F433-F436 HydrophobicContact CE2-CB 3.7Å; F433-F436 AromaticContact CE2-CD1 3.49Å; F433-F436 HydrophobicContact CE2-CD1 3.49Å; F433-F436 VanDerWaalsContact CE2-CD1 3.49Å; F433-F436 HydrophobicContact CE2-CD2 4.06Å; F433-F436 HydrophobicContact CE2-CE1 4.14Å; F433-F436 AromaticContact CE2-CG 3.46Å; F433-F436 HydrophobicContact CE2-CG 3.46Å; F433-F436 VanDerWaalsContact CE2-CG 3.46Å; F433-F436 HydrophobicContact CG-CB 4.2Å; F433-F436 HydrophobicContact CZ-CB 3.97Å; F433-F436 AromaticContact CZ-CD1 3.18Å; F433-F436 HydrophobicContact CZ-CD1 3.18Å; F433-F436 AromaticContact CZ-CE1 3.81Å; F433-F436 HydrophobicContact CZ-CE1 3.81Å; F433-F436 AromaticContact CZ-CG 3.67Å; F433-F436 HydrophobicContact CZ-CG 3.67Å; F433-F436 PolarHBondContact O-N 3.36Å; F433-A437 HydrophobicContact CD1-CB 4.02Å; F433-A437 HydrophobicContact CE1-CB 4.33Å; F433-A437 VanDerWaalsContact O-CB 3.32Å; F433-A437 WeakPolarHBondContact O-CB 3.45Å; F433-A437 PolarHBondContact O-N 2.94Å; F433-I466 HydrophobicContact CE1-CD1 4.49Å; F433-I466 HydrophobicContact CE1-CG1 4.33Å; F433-T470 HydrophobicContact CB-CG2 3.69Å; F433-T470 HydrophobicContact CD1-CG2 4.27Å; F433-T470 HydrophobicContact CG-CG2 4.5Å |
| 434 | D | 90.2 | Very high | 92.5 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -35 | -166.1 | 76.1 | -19.5 | 0 | 0 | 0 | 115.9 | P431 R432 E438 T472 R474 | P431-D434 WeakPolarHBondContact O-CB 3.38Å; P431-D434 PolarHBondContact O-N 3.47Å; R432-D434 VanDerWaalsContact C-N 3.29Å; R432-D434 PolarHBondContact O-N 2.95Å; D434-E438 PolarHBondContact O-N 3.42Å; D434-E438 VanDerWaalsContact O-N 3.15Å; D434-T472 HydrophobicContact CB-CG2 4.14Å; D434-T472 WeakPolarHBondContact CB-OG1 3.48Å; D434-R474 IonicContact OD1-NH2 3.58Å; D434-R474 PolarHBondContact OD1-NH2 3.2Å; D434-R474 IonicContact OD2-CZ 2.96Å; D434-R474 IonicContact OD2-NE 3.77Å; D434-R474 IonicContact OD2-NH2 3.85Å; D434-R474 PolarHBondContact OD2-NH2 3.4Å |
| 435 | H | 90.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 35% | 0.352 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.7 | -42.5 | 172.5 | -176.7 | 50.2 | 0 | 0 | 0 | 111.8 | E400 F433 A437 E438 L439 | E400-H435 IonicContact OE1-CD2 2.69Å; E400-H435 PolarHBondContact OE1-CD2 2.95Å; F433-H435 PolarHBondContact O-N 3.47Å; H435-A437 VanDerWaalsContact C-N 3.32Å; H435-A437 PolarHBondContact O-N 3Å; H435-E438 IonicContact ND1-OE2 3.6Å; H435-E438 PolarHBondContact O-N 2.86Å; H435-L439 PolarHBondContact O-N 2.75Å |
| 436 | F | 93.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.1 | -160.1 | -64.7 | 0 | 0 | 0 | 110.4 | L396 E400 L403 F433 E438 L439 I440 | L396-F436 HydrophobicContact CD1-CD2 4.34Å; L396-F436 HydrophobicContact CD1-CE2 4.1Å; L396-F436 HydrophobicContact CG-CD2 4.15Å; L396-F436 HydrophobicContact CG-CE2 4.35Å; L396-F436 WeakPolarHBondContact O-CE2 3.42Å; E400-F436 HydrophobicContact CB-CD2 4.44Å; E400-F436 HydrophobicContact CB-CE2 4.1Å; E400-F436 HydrophobicContact CB-CZ 4.45Å; E400-F436 HydrophobicContact CG-CD2 3.34Å; E400-F436 HydrophobicContact CG-CE2 3.43Å; E400-F436 VanDerWaalsContact CG-CE2 3.43Å; E400-F436 HydrophobicContact CG-CG 4Å; E400-F436 HydrophobicContact CG-CZ 4.13Å; L403-F436 HydrophobicContact CB-CZ 4.04Å; L403-F436 HydrophobicContact CD1-CE1 4.32Å; L403-F436 HydrophobicContact CD1-CE2 4.3Å; L403-F436 HydrophobicContact CD1-CZ 3.53Å; L403-F436 HydrophobicContact CG-CZ 4.4Å; F433-F436 HydrophobicContact CD1-CB 4.44Å; F433-F436 HydrophobicContact CD2-CB 3.83Å; F433-F436 HydrophobicContact CD2-CD1 4.44Å; F433-F436 HydrophobicContact CD2-CG 4.09Å; F433-F436 HydrophobicContact CE1-CB 4.32Å; F433-F436 AromaticContact CE1-CD1 3.95Å; F433-F436 HydrophobicContact CE1-CD1 3.95Å; F433-F436 HydrophobicContact CE1-CG 4.43Å; F433-F436 HydrophobicContact CE2-CB 3.7Å; F433-F436 AromaticContact CE2-CD1 3.49Å; F433-F436 HydrophobicContact CE2-CD1 3.49Å; F433-F436 VanDerWaalsContact CE2-CD1 3.49Å; F433-F436 HydrophobicContact CE2-CD2 4.06Å; F433-F436 HydrophobicContact CE2-CE1 4.14Å; F433-F436 AromaticContact CE2-CG 3.46Å; F433-F436 HydrophobicContact CE2-CG 3.46Å; F433-F436 VanDerWaalsContact CE2-CG 3.46Å; F433-F436 HydrophobicContact CG-CB 4.2Å; F433-F436 HydrophobicContact CZ-CB 3.97Å; F433-F436 AromaticContact CZ-CD1 3.18Å; F433-F436 HydrophobicContact CZ-CD1 3.18Å; F433-F436 AromaticContact CZ-CE1 3.81Å; F433-F436 HydrophobicContact CZ-CE1 3.81Å; F433-F436 AromaticContact CZ-CG 3.67Å; F433-F436 HydrophobicContact CZ-CG 3.67Å; F433-F436 PolarHBondContact O-N 3.36Å; F436-E438 PolarHBondContact O-N 3.17Å; F436-L439 PolarHBondContact O-N 2.95Å; F436-I440 HydrophobicContact CD1-CB 4.07Å; F436-I440 HydrophobicContact CD1-CG2 3.99Å; F436-I440 HydrophobicContact CE1-CB 3.97Å; F436-I440 HydrophobicContact CE1-CG1 4.22Å; F436-I440 HydrophobicContact CE1-CG2 4.25Å; F436-I440 WeakPolarHBondContact O-CG2 3.29Å; F436-I440 PolarHBondContact O-N 3.07Å |
| 437 | A | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F433 H435 L439 I440 L441 I466 I475 | F433-A437 HydrophobicContact CD1-CB 4.02Å; F433-A437 HydrophobicContact CE1-CB 4.33Å; F433-A437 VanDerWaalsContact O-CB 3.32Å; F433-A437 WeakPolarHBondContact O-CB 3.45Å; F433-A437 PolarHBondContact O-N 2.94Å; H435-A437 VanDerWaalsContact C-N 3.32Å; H435-A437 PolarHBondContact O-N 3Å; A437-L439 PolarHBondContact O-N 2.94Å; A437-I440 PolarHBondContact O-N 3.49Å; A437-L441 WeakPolarHBondContact O-CB 3.47Å; A437-L441 PolarHBondContact O-N 3.31Å; A437-I466 HydrophobicContact CB-CG2 3.83Å; A437-I475 HydrophobicContact CB-CD1 3.78Å; A437-I475 HydrophobicContact CB-CG1 4.06Å |
| 438 | E | 92.2 | Very high | 92.6 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 29% | 0.29 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.7 | -38 | 176.5 | 179.8 | 174.2 | -140 | 0 | 0 | 112.6 | D434 H435 F436 P442 R474 V478 | D434-E438 PolarHBondContact O-N 3.42Å; D434-E438 VanDerWaalsContact O-N 3.15Å; H435-E438 IonicContact ND1-OE2 3.6Å; H435-E438 PolarHBondContact O-N 2.86Å; F436-E438 PolarHBondContact O-N 3.17Å; E438-P442 VanDerWaalsContact O-CD 3.26Å; E438-P442 WeakPolarHBondContact O-CD 3.37Å; E438-R474 HydrophobicContact CG-CB 4.45Å; E438-R474 WeakPolarHBondContact OE1-CD 3.38Å; E438-R474 WeakPolarHBondContact OE2-CD 3.3Å; E438-R474 IonicContact OE2-CZ 2.92Å; E438-R474 IonicContact OE2-NE 3.29Å; E438-R474 IonicContact OE2-NH1 3.56Å; E438-R474 PolarHBondContact OE2-NH1 3.48Å; E438-V478 HydrophobicContact CG-CG2 4.5Å |
| 439 | L | 92.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 36.5 Ų | 36.5 | 33% | 0.325 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -83.1 | -36.7 | -178.8 | -67.6 | 171.7 | 0 | 0 | 0 | 113.9 | E400 Q404 H435 F436 A437 | E400-L439 HydrophobicContact CG-CD1 4.37Å; E400-L439 WeakPolarHBondContact OE2-CD1 3.41Å; Q404-L439 PolarHBondContact NE2-O 3.03Å; H435-L439 PolarHBondContact O-N 2.75Å; F436-L439 PolarHBondContact O-N 2.95Å; A437-L439 PolarHBondContact O-N 2.94Å |
| 440 | I | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -85.3 | -29.6 | -176.8 | -161.4 | 60.4 | 0 | 0 | 0 | 112.8 | Q404 V422 F436 A437 V443 L444 I466 | Q404-I440 HydrophobicContact CB-CD1 4.29Å; Q404-I440 HydrophobicContact CG-CD1 3.67Å; V422-I440 HydrophobicContact CG1-CG1 4.21Å; V422-I440 HydrophobicContact CG1-CG2 4.08Å; V422-I440 HydrophobicContact CG2-CG1 4.09Å; F436-I440 HydrophobicContact CD1-CB 4.07Å; F436-I440 HydrophobicContact CD1-CG2 3.99Å; F436-I440 HydrophobicContact CE1-CB 3.97Å; F436-I440 HydrophobicContact CE1-CG1 4.22Å; F436-I440 HydrophobicContact CE1-CG2 4.25Å; F436-I440 WeakPolarHBondContact O-CG2 3.29Å; F436-I440 PolarHBondContact O-N 3.07Å; A437-I440 PolarHBondContact O-N 3.49Å; I440-V443 HydrophobicContact CD1-CB 4.45Å; I440-V443 WeakPolarHBondContact O-CA 3.19Å; I440-V443 VanDerWaalsContact O-CB 3.31Å; I440-V443 WeakPolarHBondContact O-CB 3.22Å; I440-V443 PolarHBondContact O-N 2.84Å; I440-L444 HydrophobicContact CG1-CD1 4.37Å; I440-L444 HydrophobicContact CG1-CG 4.27Å; I440-L444 HydrophobicContact CG2-CD1 4.32Å; I440-L444 PolarHBondContact O-N 3.47Å; I440-I466 HydrophobicContact CG2-CD1 3.9Å |
| 441 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | -174.7 | -171.8 | 66.9 | 0 | 0 | 0 | 114.2 | A437 V443 L444 V445 C463 I466 I475 V478 I479 | A437-L441 WeakPolarHBondContact O-CB 3.47Å; A437-L441 PolarHBondContact O-N 3.31Å; L441-V443 PolarHBondContact O-N 3.17Å; L441-L444 PolarHBondContact O-N 3.09Å; L441-V445 HydrophobicContact CD1-CG2 4.32Å; L441-V445 HydrophobicContact CG-CG2 4.31Å; L441-V445 WeakPolarHBondContact O-CB 3.49Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.29Å; L441-V445 PolarHBondContact O-N 3.09Å; L441-C463 HydrophobicContact CD1-CB 4.13Å; L441-I466 HydrophobicContact CD1-CD1 4.44Å; L441-I466 HydrophobicContact CD1-CG2 4.5Å; L441-I475 HydrophobicContact CD2-CB 4.39Å; L441-I475 HydrophobicContact CD2-CG1 4.5Å; L441-I475 HydrophobicContact CD2-CG2 3.78Å; L441-V478 HydrophobicContact CB-CG1 4.23Å; L441-V478 HydrophobicContact CD2-CB 4.26Å; L441-V478 HydrophobicContact CD2-CG1 3.97Å; L441-V478 HydrophobicContact CG-CG1 4.12Å; L441-I479 HydrophobicContact CD2-CD1 4.05Å; L441-I479 HydrophobicContact CD2-CG1 3.83Å |
| 442 | P | 94.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.5 | -33.1 | 173 | -21.4 | 31.4 | 0 | 0 | 0 | 112.8 | E438 S446 V478 | E438-P442 VanDerWaalsContact O-CD 3.26Å; E438-P442 WeakPolarHBondContact O-CD 3.37Å; P442-S446 WeakPolarHBondContact O-CB 3.42Å; P442-S446 PolarHBondContact O-N 3.43Å; P442-S446 VanDerWaalsContact O-N 3.14Å; P442-V478 HydrophobicContact CG-CG1 3.74Å |
| 443 | V | 95.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -49.8 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | Q404 C407 K408 I440 L441 V445 S446 L447 | Q404-V443 HydrophobicContact CB-CG2 4.32Å; Q404-V443 HydrophobicContact CG-CG2 3.96Å; C407-V443 HydrophobicContact CB-CG1 3.74Å; K408-V443 HydrophobicContact CD-CG1 4.2Å; K408-V443 VanDerWaalsContact CE-CG2 3.47Å; K408-V443 HydrophobicContact CG-CG1 3.73Å; I440-V443 HydrophobicContact CD1-CB 4.45Å; I440-V443 WeakPolarHBondContact O-CA 3.19Å; I440-V443 VanDerWaalsContact O-CB 3.31Å; I440-V443 WeakPolarHBondContact O-CB 3.22Å; I440-V443 PolarHBondContact O-N 2.84Å; L441-V443 PolarHBondContact O-N 3.17Å; V443-V445 VanDerWaalsContact C-N 3.33Å; V443-V445 PolarHBondContact O-N 3.41Å; V443-S446 WeakPolarHBondContact O-CB 3.34Å; V443-S446 PolarHBondContact O-N 2.92Å; V443-S446 VanDerWaalsContact O-N 3.08Å; V443-S446 PolarHBondContact O-OG 3.3Å; V443-L447 PolarHBondContact O-N 2.95Å |
| 444 | L | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 178.6 | -62.6 | 173.8 | 0 | 0 | 0 | 112.1 | V422 I440 L441 S446 L447 A462 C463 I466 | V422-L444 HydrophobicContact CG1-CD1 4.11Å; I440-L444 HydrophobicContact CG1-CD1 4.37Å; I440-L444 HydrophobicContact CG1-CG 4.27Å; I440-L444 HydrophobicContact CG2-CD1 4.32Å; I440-L444 PolarHBondContact O-N 3.47Å; L441-L444 PolarHBondContact O-N 3.09Å; L444-S446 VanDerWaalsContact C-N 3.27Å; L444-S446 PolarHBondContact O-N 2.75Å; L444-L447 HydrophobicContact CD2-CD1 4.31Å; L444-L447 WeakPolarHBondContact O-CB 3.21Å; L444-L447 PolarHBondContact O-N 2.88Å; L444-L447 VanDerWaalsContact O-N 3.09Å; L444-A462 HydrophobicContact CD1-CB 3.9Å; L444-A462 HydrophobicContact CD2-CB 4.11Å; L444-C463 WeakPolarHBondContact CB-SG 3.3Å; L444-I466 HydrophobicContact CD1-CD1 3.48Å; L444-I466 VanDerWaalsContact CD1-CD1 3.48Å |
| 445 | V | 95.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L441 V443 L447 I448 I490 | L441-V445 HydrophobicContact CD1-CG2 4.32Å; L441-V445 HydrophobicContact CG-CG2 4.31Å; L441-V445 WeakPolarHBondContact O-CB 3.49Å; L441-V445 VanDerWaalsContact O-CG2 3.3Å; L441-V445 WeakPolarHBondContact O-CG2 3.29Å; L441-V445 PolarHBondContact O-N 3.09Å; V443-V445 VanDerWaalsContact C-N 3.33Å; V443-V445 PolarHBondContact O-N 3.41Å; V445-L447 PolarHBondContact O-N 2.72Å; V445-I448 HydrophobicContact CB-CD1 4.27Å; V445-I448 HydrophobicContact CG1-CD1 4.16Å; V445-I448 HydrophobicContact CG2-CD1 4.39Å; V445-I448 WeakPolarHBondContact O-CB 3.28Å; V445-I448 WeakPolarHBondContact O-CD1 3.21Å; V445-I448 VanDerWaalsContact O-CG1 3.31Å; V445-I448 WeakPolarHBondContact O-CG1 3.41Å; V445-I448 PolarHBondContact O-N 2.98Å; V445-I490 HydrophobicContact CG1-CG2 3.73Å |
| 446 | S | 94.7 | Very high | 92.7 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -19.7 | 176.1 | 82.2 | 0 | 0 | 0 | 0 | 114.3 | P442 V443 L444 Q449 | P442-S446 WeakPolarHBondContact O-CB 3.42Å; P442-S446 PolarHBondContact O-N 3.43Å; P442-S446 VanDerWaalsContact O-N 3.14Å; V443-S446 WeakPolarHBondContact O-CB 3.34Å; V443-S446 PolarHBondContact O-N 2.92Å; V443-S446 VanDerWaalsContact O-N 3.08Å; V443-S446 PolarHBondContact O-OG 3.3Å; L444-S446 VanDerWaalsContact C-N 3.27Å; L444-S446 PolarHBondContact O-N 2.75Å; S446-Q449 WeakPolarHBondContact O-CG 3.34Å; S446-Q449 PolarHBondContact O-NE2 2.66Å |
| 447 | L | 94.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.2 | -23.4 | 177.2 | -56.2 | -177.8 | 0 | 0 | 0 | 113.2 | C407 V415 V443 L444 V445 Q449 N450 V455 A456 | C407-L447 WeakPolarHBondContact O-CD2 3.4Å; V415-L447 HydrophobicContact CG1-CD1 3.7Å; V415-L447 HydrophobicContact CG1-CD2 4.4Å; V443-L447 PolarHBondContact O-N 2.95Å; L444-L447 HydrophobicContact CD2-CD1 4.31Å; L444-L447 WeakPolarHBondContact O-CB 3.21Å; L444-L447 PolarHBondContact O-N 2.88Å; L444-L447 VanDerWaalsContact O-N 3.09Å; V445-L447 PolarHBondContact O-N 2.72Å; L447-Q449 PolarHBondContact O-N 2.96Å; L447-N450 WeakPolarHBondContact O-CB 3.43Å; L447-N450 PolarHBondContact O-N 3.39Å; L447-V455 HydrophobicContact CB-CG1 4.03Å; L447-V455 HydrophobicContact CD1-CG1 4.39Å; L447-V455 HydrophobicContact CD2-CG1 4.04Å; L447-V455 HydrophobicContact CG-CG1 4.37Å; L447-A456 WeakPolarHBondContact O-CA 3.39Å |
| 448 | I | 93.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.9 | -173.6 | -58 | 170.1 | 0 | 0 | 0 | 112 | V445 N450 M460 I490 A493 M497 | V445-I448 HydrophobicContact CB-CD1 4.27Å; V445-I448 HydrophobicContact CG1-CD1 4.16Å; V445-I448 HydrophobicContact CG2-CD1 4.39Å; V445-I448 WeakPolarHBondContact O-CB 3.28Å; V445-I448 WeakPolarHBondContact O-CD1 3.21Å; V445-I448 VanDerWaalsContact O-CG1 3.31Å; V445-I448 WeakPolarHBondContact O-CG1 3.41Å; V445-I448 PolarHBondContact O-N 2.98Å; I448-N450 VanDerWaalsContact C-N 3.27Å; I448-N450 PolarHBondContact O-N 2.9Å; I448-M460 HydrophobicContact CB-SD 4.38Å; I448-M460 HydrophobicContact CD1-SD 3.47Å; I448-M460 WeakPolarHBondContact CD1-SD 3.36Å; I448-M460 HydrophobicContact CG1-CG 4.03Å; I448-M460 HydrophobicContact CG1-SD 3.62Å; I448-M460 HydrophobicContact CG2-CG 4.24Å; I448-M460 HydrophobicContact CG2-SD 3.86Å; I448-I490 HydrophobicContact CB-CG1 4.21Å; I448-A493 HydrophobicContact CD1-CB 3.82Å; I448-A493 HydrophobicContact CG2-CB 3.81Å; I448-M497 HydrophobicContact CD1-CE 3.79Å |
| 449 | Q | 91.8 | Very high | 92.7 | Very high | 104 Ų | 104 | 33.8 Ų | 33.8 | 49% | 0.486 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2 | 178.2 | 74.3 | -162.4 | -41.8 | 0 | 0 | 114.2 | S446 L447 I490 | S446-Q449 WeakPolarHBondContact O-CG 3.34Å; S446-Q449 PolarHBondContact O-NE2 2.66Å; L447-Q449 PolarHBondContact O-N 2.96Å; Q449-I490 HydrophobicContact CB-CD1 4.19Å; Q449-I490 HydrophobicContact CB-CG1 4.23Å; Q449-I490 HydrophobicContact CG-CD1 4.3Å |
| 450 | N | 90.3 | Very high | 92.7 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | trans | -71 | 134.6 | -175.2 | -166 | -42.5 | 0 | 0 | 0 | 111.3 | L447 I448 A452 V455 | L447-N450 WeakPolarHBondContact O-CB 3.43Å; L447-N450 PolarHBondContact O-N 3.39Å; I448-N450 VanDerWaalsContact C-N 3.27Å; I448-N450 PolarHBondContact O-N 2.9Å; N450-A452 PolarHBondContact O-N 3.45Å; N450-A452 WeakPolarHBondContact OD1-CB 3.35Å; N450-A452 PolarHBondContact OD1-N 3.27Å; N450-V455 HydrophobicContact CB-CB 4.35Å; N450-V455 HydrophobicContact CB-CG1 4.01Å | ||
| 451 | S | 86.5 | Confident | 92.6 | Very high | 120 Ų | 120 | 32.1 Ų | 32.1 | 84% | 0.839 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -66.2 | -24.1 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | K453 | S451-K453 PolarHBondContact O-N 3.46Š|
| 452 | A | 89.7 | Confident | 92.6 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -76.3 | 99.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | N450 V454 V455 A456 | N450-A452 PolarHBondContact O-N 3.45Å; N450-A452 WeakPolarHBondContact OD1-CB 3.35Å; N450-A452 PolarHBondContact OD1-N 3.27Å; A452-V454 HydrophobicContact CB-CG1 4.49Å; A452-V454 PolarHBondContact O-N 3.2Å; A452-V454 VanDerWaalsContact O-N 3.11Å; A452-V455 HydrophobicContact CB-CB 4.37Å; A452-V455 HydrophobicContact CB-CG2 4.18Å; A452-V455 WeakPolarHBondContact O-CA 3.47Å; A452-V455 WeakPolarHBondContact O-CB 3.35Å; A452-V455 PolarHBondContact O-N 3.09Å; A452-A456 PolarHBondContact O-N 3.29Å; A452-A456 VanDerWaalsContact O-N 3.15Å |
| 453 | K | 88.2 | Confident | 92.6 | Very high | 97 Ų | 97 | 29.2 Ų | 29.2 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -49.2 | -41.2 | -178.2 | -70.6 | -175.7 | -171.3 | 171.4 | 0 | 113.6 | G323 A324 G325 S451 V455 A456 T457 | G323-K453 PolarHBondContact O-NZ 3.04Å; A324-K453 WeakPolarHBondContact O-CD 3.47Å; A324-K453 PolarHBondContact O-NZ 3.45Å; G325-K453 VanDerWaalsContact O-CB 3.32Å; G325-K453 WeakPolarHBondContact O-CB 3.43Å; S451-K453 PolarHBondContact O-N 3.46Å; K453-V455 PolarHBondContact O-N 3.48Å; K453-A456 PolarHBondContact O-N 3.28Å; K453-T457 WeakPolarHBondContact O-CB 3.03Å; K453-T457 WeakPolarHBondContact O-CG2 3.38Å; K453-T457 PolarHBondContact O-N 3.15Å; K453-T457 PolarHBondContact O-OG1 3.21Å |
| 454 | V | 88.1 | Confident | 92.4 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -38.5 | 177 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | G325 V327 A452 S458 | G325-V454 PolarHBondContact O-N 3.11Å; G325-V454 VanDerWaalsContact O-N 3.11Å; V327-V454 HydrophobicContact CG2-CB 4.39Å; V327-V454 HydrophobicContact CG2-CG2 3.7Å; A452-V454 HydrophobicContact CB-CG1 4.49Å; A452-V454 PolarHBondContact O-N 3.2Å; A452-V454 VanDerWaalsContact O-N 3.11Å; V454-S458 VanDerWaalsContact O-CB 3.26Å; V454-S458 WeakPolarHBondContact O-CB 3.39Å; V454-S458 PolarHBondContact O-N 3.03Å; V454-S458 VanDerWaalsContact O-N 3.16Å; V454-S458 PolarHBondContact O-OG 3.42Å |
| 455 | V | 92.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74 | -49.8 | 177 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | V415 L447 N450 A452 K453 T457 S458 G459 | V415-V455 HydrophobicContact CB-CG2 4.42Å; V415-V455 HydrophobicContact CG1-CG1 3.85Å; V415-V455 HydrophobicContact CG1-CG2 4.38Å; L447-V455 HydrophobicContact CB-CG1 4.03Å; L447-V455 HydrophobicContact CD1-CG1 4.39Å; L447-V455 HydrophobicContact CD2-CG1 4.04Å; L447-V455 HydrophobicContact CG-CG1 4.37Å; N450-V455 HydrophobicContact CB-CB 4.35Å; N450-V455 HydrophobicContact CB-CG1 4.01Å; A452-V455 HydrophobicContact CB-CB 4.37Å; A452-V455 HydrophobicContact CB-CG2 4.18Å; A452-V455 WeakPolarHBondContact O-CA 3.47Å; A452-V455 WeakPolarHBondContact O-CB 3.35Å; A452-V455 PolarHBondContact O-N 3.09Å; K453-V455 PolarHBondContact O-N 3.48Å; V455-T457 PolarHBondContact O-N 3.34Å; V455-S458 PolarHBondContact O-N 2.95Å; V455-G459 PolarHBondContact O-N 3.37Å |
| 456 | A | 92.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L447 A452 K453 M460 | L447-A456 WeakPolarHBondContact O-CA 3.39Å; A452-A456 PolarHBondContact O-N 3.29Å; A452-A456 VanDerWaalsContact O-N 3.15Å; K453-A456 PolarHBondContact O-N 3.28Å; A456-M460 WeakPolarHBondContact O-CG 3.25Å; A456-M460 PolarHBondContact O-N 3.17Å |
| 457 | T | 91.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73 | -36.6 | 178.2 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | I321 A326 V327 K453 V455 G459 M460 I461 | I321-T457 HydrophobicContact CG2-CG2 4.36Å; A326-T457 HydrophobicContact CB-CG2 3.82Å; V327-T457 PolarHBondContact N-OG1 3.12Å; K453-T457 WeakPolarHBondContact O-CB 3.03Å; K453-T457 WeakPolarHBondContact O-CG2 3.38Å; K453-T457 PolarHBondContact O-N 3.15Å; K453-T457 PolarHBondContact O-OG1 3.21Å; V455-T457 PolarHBondContact O-N 3.34Å; T457-G459 VanDerWaalsContact C-N 3.34Å; T457-G459 PolarHBondContact O-N 3Å; T457-M460 PolarHBondContact O-N 2.98Å; T457-I461 WeakPolarHBondContact O-CD1 3.4Å; T457-I461 VanDerWaalsContact O-CG1 3.24Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 3.3Å |
| 458 | S | 93 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | V454 V455 A462 | V454-S458 VanDerWaalsContact O-CB 3.26Å; V454-S458 WeakPolarHBondContact O-CB 3.39Å; V454-S458 PolarHBondContact O-N 3.03Å; V454-S458 VanDerWaalsContact O-N 3.16Å; V454-S458 PolarHBondContact O-OG 3.42Å; V455-S458 PolarHBondContact O-N 2.95Å; S458-A462 WeakPolarHBondContact O-CB 3.3Å; S458-A462 PolarHBondContact O-N 3.28Å |
| 459 | G | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V455 T457 A462 C463 | V455-G459 PolarHBondContact O-N 3.37Å; T457-G459 VanDerWaalsContact C-N 3.34Å; T457-G459 PolarHBondContact O-N 3Å; G459-A462 PolarHBondContact O-N 2.91Å; G459-C463 PolarHBondContact O-N 3.47Å; G459-C463 PolarHBondContact O-SG 3.09Å |
| 460 | M | 92.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 14% | 0.138 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.4 | -80.7 | -61.2 | -61.5 | 0 | 0 | 113 | I448 A456 T457 C463 R464 A493 M497 | I448-M460 HydrophobicContact CB-SD 4.38Å; I448-M460 HydrophobicContact CD1-SD 3.47Å; I448-M460 WeakPolarHBondContact CD1-SD 3.36Å; I448-M460 HydrophobicContact CG1-CG 4.03Å; I448-M460 HydrophobicContact CG1-SD 3.62Å; I448-M460 HydrophobicContact CG2-CG 4.24Å; I448-M460 HydrophobicContact CG2-SD 3.86Å; A456-M460 WeakPolarHBondContact O-CG 3.25Å; A456-M460 PolarHBondContact O-N 3.17Å; T457-M460 PolarHBondContact O-N 2.98Å; M460-C463 PolarHBondContact O-N 3.07Å; M460-R464 PolarHBondContact O-N 3.03Å; M460-R464 VanDerWaalsContact O-N 3.14Å; M460-A493 HydrophobicContact CE-CB 3.83Å; M460-A493 HydrophobicContact SD-CB 3.46Å; M460-A493 WeakPolarHBondContact SD-CB 3.42Å; M460-M497 HydrophobicContact CE-CE 3.91Å; M460-M497 HydrophobicContact SD-CE 3.63Å |
| 461 | I | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | -179.4 | -63.2 | 161.3 | 0 | 0 | 0 | 109.3 | V327 E329 F332 T457 C463 R464 F465 | V327-I461 HydrophobicContact CB-CD1 4.43Å; E329-I461 HydrophobicContact CB-CD1 4.47Å; E329-I461 HydrophobicContact CG-CG2 4.27Å; F332-I461 HydrophobicContact CB-CD1 4.13Å; F332-I461 HydrophobicContact CB-CG2 4.31Å; F332-I461 HydrophobicContact CD1-CB 4.26Å; F332-I461 HydrophobicContact CD1-CG2 3.37Å; F332-I461 HydrophobicContact CD2-CB 4.44Å; F332-I461 HydrophobicContact CD2-CD1 4.19Å; F332-I461 HydrophobicContact CD2-CG2 4.34Å; F332-I461 HydrophobicContact CE1-CB 4.24Å; F332-I461 HydrophobicContact CE1-CG2 3.57Å; F332-I461 HydrophobicContact CE2-CB 4.44Å; F332-I461 HydrophobicContact CG-CB 4.34Å; F332-I461 HydrophobicContact CG-CD1 4.17Å; F332-I461 HydrophobicContact CG-CG2 3.78Å; F332-I461 HydrophobicContact CZ-CB 4.33Å; F332-I461 HydrophobicContact CZ-CG2 4.15Å; T457-I461 WeakPolarHBondContact O-CD1 3.4Å; T457-I461 VanDerWaalsContact O-CG1 3.24Å; T457-I461 WeakPolarHBondContact O-CG1 3.44Å; T457-I461 PolarHBondContact O-N 3.3Å; I461-C463 VanDerWaalsContact C-N 3.3Å; I461-C463 PolarHBondContact O-N 3.43Å; I461-R464 WeakPolarHBondContact O-CA 3.18Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 PolarHBondContact O-N 2.69Å; I461-F465 HydrophobicContact CG2-CD2 3.84Å; I461-F465 HydrophobicContact CG2-CE2 3.67Å; I461-F465 WeakPolarHBondContact O-CD2 3.49Å; I461-F465 PolarHBondContact O-N 2.75Å; I461-F465 VanDerWaalsContact O-N 3.09Å |
| 462 | A | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.5 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F332 C419 A423 L444 S458 G459 R464 F465 I466 | F332-A462 HydrophobicContact CZ-CB 4.45Å; C419-A462 HydrophobicContact CB-CB 4.12Å; A423-A462 HydrophobicContact CB-CB 4.33Å; L444-A462 HydrophobicContact CD1-CB 3.9Å; L444-A462 HydrophobicContact CD2-CB 4.11Å; S458-A462 WeakPolarHBondContact O-CB 3.3Å; S458-A462 PolarHBondContact O-N 3.28Å; G459-A462 PolarHBondContact O-N 2.91Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 2.76Å; A462-F465 PolarHBondContact O-N 2.72Å; A462-I466 WeakPolarHBondContact O-CG1 3.35Å; A462-I466 PolarHBondContact O-N 3.35Å; A462-I466 VanDerWaalsContact O-N 3.11Å |
| 463 | C | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | L441 L444 G459 M460 I461 I466 I467 M497 | L441-C463 HydrophobicContact CD1-CB 4.13Å; L444-C463 WeakPolarHBondContact CB-SG 3.3Å; G459-C463 PolarHBondContact O-N 3.47Å; G459-C463 PolarHBondContact O-SG 3.09Å; M460-C463 PolarHBondContact O-N 3.07Å; I461-C463 VanDerWaalsContact C-N 3.3Å; I461-C463 PolarHBondContact O-N 3.43Å; C463-I466 PolarHBondContact O-N 2.67Å; C463-I467 VanDerWaalsContact O-CG1 3.32Å; C463-I467 WeakPolarHBondContact O-CG1 3.03Å; C463-I467 PolarHBondContact O-N 3.15Å; C463-M497 HydrophobicContact CB-CE 3.39Å; C463-M497 HydrophobicContact CB-SD 4.02Å |
| 464 | R | 92.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 12% | 0.121 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.5 | -73.8 | -179.6 | 170.5 | 173.6 | -1.8 | 112.3 | E329 M460 I461 A462 I467 R468 D496 | E329-R464 IonicContact OE2-NH1 3.37Å; M460-R464 PolarHBondContact O-N 3.03Å; M460-R464 VanDerWaalsContact O-N 3.14Å; I461-R464 WeakPolarHBondContact O-CA 3.18Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 PolarHBondContact O-N 2.69Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 2.76Å; R464-I467 PolarHBondContact O-N 3.28Å; R464-R468 WeakPolarHBondContact O-CB 3.41Å; R464-R468 PolarHBondContact O-N 3.21Å; R464-D496 IonicContact CZ-OD2 3.59Å; R464-D496 IonicContact NH2-OD2 3.31Å; R464-D496 PolarHBondContact NH2-OD2 3.31Å |
| 465 | F | 93.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.8 | -83 | -92.1 | 0 | 0 | 0 | 112.3 | L333 F336 A423 I461 A462 R468 N469 | L333-F465 HydrophobicContact CD1-CZ 4.46Å; L333-F465 HydrophobicContact CD2-CE1 3.98Å; L333-F465 HydrophobicContact CD2-CZ 3.57Å; L333-F465 HydrophobicContact CG-CZ 3.9Å; F336-F465 AromaticContact CE2-CD1 3.95Å; F336-F465 HydrophobicContact CE2-CD1 3.95Å; F336-F465 AromaticContact CE2-CE1 3.54Å; F336-F465 HydrophobicContact CE2-CE1 3.54Å; F336-F465 AromaticContact CE2-CZ 3.95Å; F336-F465 HydrophobicContact CE2-CZ 3.95Å; F336-F465 HydrophobicContact CZ-CD1 4.02Å; F336-F465 HydrophobicContact CZ-CD2 4.33Å; F336-F465 AromaticContact CZ-CE1 3.79Å; F336-F465 HydrophobicContact CZ-CE1 3.79Å; F336-F465 HydrophobicContact CZ-CE2 4.13Å; F336-F465 HydrophobicContact CZ-CG 4.3Å; F336-F465 AromaticContact CZ-CZ 3.87Å; F336-F465 HydrophobicContact CZ-CZ 3.87Å; A423-F465 HydrophobicContact CB-CB 3.92Å; A423-F465 HydrophobicContact CB-CD2 4.27Å; A423-F465 HydrophobicContact CB-CG 4.06Å; I461-F465 HydrophobicContact CG2-CD2 3.84Å; I461-F465 HydrophobicContact CG2-CE2 3.67Å; I461-F465 WeakPolarHBondContact O-CD2 3.49Å; I461-F465 PolarHBondContact O-N 2.75Å; I461-F465 VanDerWaalsContact O-N 3.09Å; A462-F465 PolarHBondContact O-N 2.72Å; F465-R468 PolarHBondContact O-N 3.05Å; F465-N469 WeakPolarHBondContact O-CB 3.34Å; F465-N469 PolarHBondContact O-N 3.41Å; F465-N469 VanDerWaalsContact O-N 3.08Å; F465-N469 PolarHBondContact O-ND2 3.47Å |
| 466 | I | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 172.9 | -69.1 | 171.4 | 0 | 0 | 0 | 110.5 | V422 A426 F433 A437 I440 L441 L444 A462 C463 R468 N469 T470 I475 | V422-I466 HydrophobicContact CG1-CD1 3.98Å; A426-I466 HydrophobicContact CB-CG1 4Å; F433-I466 HydrophobicContact CE1-CD1 4.49Å; F433-I466 HydrophobicContact CE1-CG1 4.33Å; A437-I466 HydrophobicContact CB-CG2 3.83Å; I440-I466 HydrophobicContact CG2-CD1 3.9Å; L441-I466 HydrophobicContact CD1-CD1 4.44Å; L441-I466 HydrophobicContact CD1-CG2 4.5Å; L444-I466 HydrophobicContact CD1-CD1 3.48Å; L444-I466 VanDerWaalsContact CD1-CD1 3.48Å; A462-I466 WeakPolarHBondContact O-CG1 3.35Å; A462-I466 PolarHBondContact O-N 3.35Å; A462-I466 VanDerWaalsContact O-N 3.11Å; C463-I466 PolarHBondContact O-N 2.67Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 3.16Å; I466-N469 PolarHBondContact O-N 3.23Å; I466-T470 WeakPolarHBondContact CG2-OG1 3.32Å; I466-T470 WeakPolarHBondContact O-CA 3.37Å; I466-T470 PolarHBondContact O-N 3.05Å; I466-T470 PolarHBondContact O-OG1 3.13Å; I466-I475 HydrophobicContact CG2-CD1 4.07Å |
| 467 | I | 93 | Very high | 91.7 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 179.4 | -71.9 | 163.9 | 0 | 0 | 0 | 112.2 | C463 R464 I475 I479 M497 I501 W505 | C463-I467 VanDerWaalsContact O-CG1 3.32Å; C463-I467 WeakPolarHBondContact O-CG1 3.03Å; C463-I467 PolarHBondContact O-N 3.15Å; R464-I467 PolarHBondContact O-N 3.28Å; I467-I475 HydrophobicContact CG1-CG2 4.48Å; I467-I479 HydrophobicContact CD1-CD1 3.84Å; I467-I479 HydrophobicContact CG1-CD1 4.03Å; I467-M497 HydrophobicContact CD1-CB 3.62Å; I467-M497 HydrophobicContact CD1-CG 3.62Å; I467-M497 HydrophobicContact CD1-SD 4.04Å; I467-I501 HydrophobicContact CD1-CD1 4.42Å; I467-I501 HydrophobicContact CG1-CD1 4.41Å; I467-I501 HydrophobicContact CG1-CG1 4.35Å; I467-I501 HydrophobicContact CG2-CG1 3.59Å; I467-W505 PolarHBondContact O-NE1 3.32Å |
| 468 | R | 91.3 | Very high | 91.8 | Very high | 141 Ų | 141 | 26.5 Ų | 26.5 | 53% | 0.532 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.7 | -39.9 | -178.7 | -174.4 | 176.8 | 173.5 | 172.1 | -3.8 | 112.7 | R464 F465 I466 R471 | R464-R468 WeakPolarHBondContact O-CB 3.41Å; R464-R468 PolarHBondContact O-N 3.21Å; F465-R468 PolarHBondContact O-N 3.05Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 3.16Å; R468-R471 PolarHBondContact O-NE 3.19Å |
| 469 | N | 90.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 17% | 0.166 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -106.5 | -27.3 | -165.8 | -60.1 | -33 | 0 | 0 | 0 | 114.4 | A426 E427 G430 F465 I466 | A426-N469 VanDerWaalsContact O-CB 3.31Å; A426-N469 WeakPolarHBondContact O-CB 3.46Å; E427-N469 VanDerWaalsContact CA-ND2 3.31Å; E427-N469 WeakPolarHBondContact CA-ND2 3.46Å; E427-N469 WeakPolarHBondContact CB-ND2 3.11Å; G430-N469 CarbonylContact C-O 3.58Å; F465-N469 WeakPolarHBondContact O-CB 3.34Å; F465-N469 PolarHBondContact O-N 3.41Å; F465-N469 VanDerWaalsContact O-N 3.08Å; F465-N469 PolarHBondContact O-ND2 3.47Å; I466-N469 PolarHBondContact O-N 3.23Å |
| 470 | T | 87.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -108.8 | 105.4 | 171.7 | 36.3 | 0 | 0 | 0 | 0 | 111.7 | G430 F433 I466 T472 I475 W505 | G430-T470 WeakPolarHBondContact O-CG2 3.18Å; F433-T470 HydrophobicContact CB-CG2 3.69Å; F433-T470 HydrophobicContact CD1-CG2 4.27Å; F433-T470 HydrophobicContact CG-CG2 4.5Å; I466-T470 WeakPolarHBondContact CG2-OG1 3.32Å; I466-T470 WeakPolarHBondContact O-CA 3.37Å; I466-T470 PolarHBondContact O-N 3.05Å; I466-T470 PolarHBondContact O-OG1 3.13Å; T470-T472 PolarHBondContact O-N 3.21Å; T470-I475 VanDerWaalsContact O-CD1 3.24Å; T470-I475 WeakPolarHBondContact O-CD1 3.44Å; T470-I475 WeakPolarHBondContact OG1-CD1 3.42Å; T470-W505 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 471 | R | 88.8 | Confident | 92 | Very high | 111 Ų | 111 | 32 Ų | 32 | 42% | 0.419 | 15% | 0.152 | S | C | . | . | trans | -102.9 | 64.6 | -174.5 | -56.8 | -172.9 | -163.1 | 144.9 | 5.5 | 112.9 | R468 W505 E509 | R468-R471 PolarHBondContact O-NE 3.19Å; R471-W505 HydrophobicContact CB-CD2 4.09Å; R471-W505 HydrophobicContact CB-CE3 4.21Å; R471-W505 HydrophobicContact CB-CH2 4.39Å; R471-W505 HydrophobicContact CB-CZ2 4.24Å; R471-W505 HydrophobicContact CB-CZ3 4.34Å; R471-W505 HydrophobicContact CG-CD2 4.14Å; R471-W505 HydrophobicContact CG-CG 4.37Å; R471-W505 HydrophobicContact CG-CZ2 4.3Å; R471-E509 VanDerWaalsContact CD-OE1 3.23Å; R471-E509 WeakPolarHBondContact CD-OE1 3.39Å; R471-E509 IonicContact NH1-OE1 3.07Å | ||
| 472 | T | 85.8 | Confident | 92 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | trans | -118.7 | 135.5 | -173.7 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | D434 T470 R474 I475 | D434-T472 HydrophobicContact CB-CG2 4.14Å; D434-T472 WeakPolarHBondContact CB-OG1 3.48Å; T470-T472 PolarHBondContact O-N 3.21Å; T472-R474 HydrophobicContact CG2-CB 4.12Å; T472-R474 HydrophobicContact CG2-CG 4.08Å; T472-R474 PolarHBondContact O-N 3.05Å; T472-I475 WeakPolarHBondContact O-CB 3.43Å; T472-I475 PolarHBondContact O-N 3.2Å | ||
| 473 | S | 87.1 | Confident | 92 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 25% | 0.252 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.6 | -24.9 | -179.4 | -158.1 | 0 | 0 | 0 | 0 | 115 | I476 S477 S513 | S473-I476 PolarHBondContact O-N 3.48Å; S473-S477 PolarHBondContact O-N 3.41Å; S473-S477 PolarHBondContact O-OG 3.04Å; S473-S513 PolarHBondContact OG-OG 3.36Å |
| 474 | R | 89.3 | Confident | 91.9 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 29% | 0.291 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.3 | -61.9 | -172.7 | -77.4 | 163.5 | -13.7 | 112 | D434 E438 T472 I476 S477 V478 | D434-R474 IonicContact OD1-NH2 3.58Å; D434-R474 PolarHBondContact OD1-NH2 3.2Å; D434-R474 IonicContact OD2-CZ 2.96Å; D434-R474 IonicContact OD2-NE 3.77Å; D434-R474 IonicContact OD2-NH2 3.85Å; D434-R474 PolarHBondContact OD2-NH2 3.4Å; E438-R474 HydrophobicContact CG-CB 4.45Å; E438-R474 WeakPolarHBondContact OE1-CD 3.38Å; E438-R474 WeakPolarHBondContact OE2-CD 3.3Å; E438-R474 IonicContact OE2-CZ 2.92Å; E438-R474 IonicContact OE2-NE 3.29Å; E438-R474 IonicContact OE2-NH1 3.56Å; E438-R474 PolarHBondContact OE2-NH1 3.48Å; T472-R474 HydrophobicContact CG2-CB 4.12Å; T472-R474 HydrophobicContact CG2-CG 4.08Å; T472-R474 PolarHBondContact O-N 3.05Å; R474-I476 VanDerWaalsContact C-N 3.34Å; R474-I476 PolarHBondContact O-N 3.2Å; R474-S477 WeakPolarHBondContact O-CB 3.44Å; R474-S477 PolarHBondContact O-N 3.44Å; R474-S477 VanDerWaalsContact O-N 3.16Å; R474-V478 PolarHBondContact O-N 3.37Å |
| 475 | I | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.9 | -71.3 | 162.2 | 0 | 0 | 0 | 111.2 | A437 L441 I466 I467 T470 T472 S477 V478 I479 W505 | A437-I475 HydrophobicContact CB-CD1 3.78Å; A437-I475 HydrophobicContact CB-CG1 4.06Å; L441-I475 HydrophobicContact CD2-CB 4.39Å; L441-I475 HydrophobicContact CD2-CG1 4.5Å; L441-I475 HydrophobicContact CD2-CG2 3.78Å; I466-I475 HydrophobicContact CG2-CD1 4.07Å; I467-I475 HydrophobicContact CG1-CG2 4.48Å; T470-I475 VanDerWaalsContact O-CD1 3.24Å; T470-I475 WeakPolarHBondContact O-CD1 3.44Å; T470-I475 WeakPolarHBondContact OG1-CD1 3.42Å; T472-I475 WeakPolarHBondContact O-CB 3.43Å; T472-I475 PolarHBondContact O-N 3.2Å; I475-S477 VanDerWaalsContact C-N 3.31Å; I475-S477 PolarHBondContact O-N 3.43Å; I475-V478 PolarHBondContact O-N 2.9Å; I475-I479 HydrophobicContact CG2-CD1 3.8Å; I475-I479 WeakPolarHBondContact O-CG1 3.4Å; I475-I479 PolarHBondContact O-N 3.29Å; I475-I479 VanDerWaalsContact O-N 3.14Å; I475-W505 HydrophobicContact CG2-CH2 4.48Å |
| 476 | I | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 176.4 | -58.1 | 177.2 | 0 | 0 | 0 | 110.6 | S473 R474 I479 V480 I501 W505 L510 L517 | S473-I476 PolarHBondContact O-N 3.48Å; R474-I476 VanDerWaalsContact C-N 3.34Å; R474-I476 PolarHBondContact O-N 3.2Å; I476-I479 PolarHBondContact O-N 3.07Å; I476-V480 HydrophobicContact CG2-CG2 4.19Å; I476-V480 WeakPolarHBondContact O-CB 3.26Å; I476-V480 WeakPolarHBondContact O-CG2 3.41Å; I476-V480 PolarHBondContact O-N 2.91Å; I476-I501 HydrophobicContact CD1-CG2 4.22Å; I476-I501 HydrophobicContact CG1-CD1 4.46Å; I476-I501 HydrophobicContact CG1-CG2 4.27Å; I476-W505 HydrophobicContact CD1-CE3 4.05Å; I476-W505 HydrophobicContact CD1-CH2 4.3Å; I476-W505 HydrophobicContact CD1-CZ3 3.57Å; I476-W505 HydrophobicContact CG1-CH2 3.96Å; I476-W505 HydrophobicContact CG1-CZ3 3.75Å; I476-L510 HydrophobicContact CD1-CD2 3.94Å; I476-L517 HydrophobicContact CG2-CD2 3.72Å; I476-L517 HydrophobicContact CG2-CG 4.04Å |
| 477 | S | 93 | Very high | 91.9 | Very high | 41 Ų | 41 | 47 Ų | 47 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -47.9 | -178.6 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | S473 R474 I475 I479 V480 D481 | S473-S477 PolarHBondContact O-N 3.41Å; S473-S477 PolarHBondContact O-OG 3.04Å; R474-S477 WeakPolarHBondContact O-CB 3.44Å; R474-S477 PolarHBondContact O-N 3.44Å; R474-S477 VanDerWaalsContact O-N 3.16Å; I475-S477 VanDerWaalsContact C-N 3.31Å; I475-S477 PolarHBondContact O-N 3.43Å; S477-I479 VanDerWaalsContact C-N 3.33Å; S477-I479 PolarHBondContact O-N 3.46Å; S477-V480 PolarHBondContact O-N 3.22Å; S477-D481 PolarHBondContact O-N 3.1Å |
| 478 | V | 93.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 177.1 | 172 | 0 | 0 | 0 | 0 | 113 | E438 L441 P442 R474 I475 S482 | E438-V478 HydrophobicContact CG-CG2 4.5Å; L441-V478 HydrophobicContact CB-CG1 4.23Å; L441-V478 HydrophobicContact CD2-CB 4.26Å; L441-V478 HydrophobicContact CD2-CG1 3.97Å; L441-V478 HydrophobicContact CG-CG1 4.12Å; P442-V478 HydrophobicContact CG-CG1 3.74Å; R474-V478 PolarHBondContact O-N 3.37Å; I475-V478 PolarHBondContact O-N 2.9Å; V478-S482 WeakPolarHBondContact O-CB 3.44Å; V478-S482 PolarHBondContact O-N 3.33Å; V478-S482 PolarHBondContact O-OG 2.84Å |
| 479 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 178 | -66.9 | 163.8 | 0 | 0 | 0 | 110.9 | L441 I467 I475 I476 S477 S482 C483 C494 M497 I498 I501 | L441-I479 HydrophobicContact CD2-CD1 4.05Å; L441-I479 HydrophobicContact CD2-CG1 3.83Å; I467-I479 HydrophobicContact CD1-CD1 3.84Å; I467-I479 HydrophobicContact CG1-CD1 4.03Å; I475-I479 HydrophobicContact CG2-CD1 3.8Å; I475-I479 WeakPolarHBondContact O-CG1 3.4Å; I475-I479 PolarHBondContact O-N 3.29Å; I475-I479 VanDerWaalsContact O-N 3.14Å; I476-I479 PolarHBondContact O-N 3.07Å; S477-I479 VanDerWaalsContact C-N 3.33Å; S477-I479 PolarHBondContact O-N 3.46Å; I479-S482 WeakPolarHBondContact O-CB 3.34Å; I479-S482 PolarHBondContact O-N 3.25Å; I479-C483 PolarHBondContact O-N 3.14Å; I479-C494 HydrophobicContact CG2-CB 4.13Å; I479-M497 HydrophobicContact CD1-CB 4.48Å; I479-M497 HydrophobicContact CG2-CB 4.16Å; I479-I498 HydrophobicContact CG2-CD1 4.3Å; I479-I498 HydrophobicContact CG2-CG1 3.87Å; I479-I501 HydrophobicContact CD1-CD1 3.59Å |
| 480 | V | 95.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.5 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | I476 S477 S482 C483 I498 A520 | I476-V480 HydrophobicContact CG2-CG2 4.19Å; I476-V480 WeakPolarHBondContact O-CB 3.26Å; I476-V480 WeakPolarHBondContact O-CG2 3.41Å; I476-V480 PolarHBondContact O-N 2.91Å; S477-V480 PolarHBondContact O-N 3.22Å; V480-S482 PolarHBondContact O-N 3.15Å; V480-C483 VanDerWaalsContact O-CB 3.24Å; V480-C483 WeakPolarHBondContact O-CB 3.5Å; V480-C483 PolarHBondContact O-N 3.3Å; V480-C483 VanDerWaalsContact O-N 3.08Å; V480-I498 HydrophobicContact CG2-CD1 4.24Å; V480-A520 HydrophobicContact CB-CB 4.5Å; V480-A520 HydrophobicContact CG1-CB 4.03Å; V480-A520 HydrophobicContact CG2-CB 3.87Å |
| 481 | D | 93.9 | Very high | 92.5 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 65% | 0.652 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.1 | -36.3 | 174 | -69.9 | -23.2 | 0 | 0 | 0 | 111.4 | S477 C483 A484 | S477-D481 PolarHBondContact O-N 3.1Å; D481-C483 VanDerWaalsContact C-N 3.27Å; D481-C483 PolarHBondContact O-N 3.01Å; D481-A484 WeakPolarHBondContact O-CB 3.44Å; D481-A484 PolarHBondContact O-N 3.41Å; D481-A484 VanDerWaalsContact O-N 3.15Å |
| 482 | S | 93.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -21.1 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | V478 I479 V480 A484 S485 C494 | V478-S482 WeakPolarHBondContact O-CB 3.44Å; V478-S482 PolarHBondContact O-N 3.33Å; V478-S482 PolarHBondContact O-OG 2.84Å; I479-S482 WeakPolarHBondContact O-CB 3.34Å; I479-S482 PolarHBondContact O-N 3.25Å; V480-S482 PolarHBondContact O-N 3.15Å; S482-A484 PolarHBondContact O-N 3.36Å; S482-S485 WeakPolarHBondContact O-CB 3.49Å; S482-S485 PolarHBondContact O-N 3.11Å; S482-C494 VanDerWaalsContact CB-SG 3.51Å |
| 483 | C | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.9 | 170.8 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | I479 V480 D481 S485 R491 C494 Y495 I498 Q523 | I479-C483 PolarHBondContact O-N 3.14Å; V480-C483 VanDerWaalsContact O-CB 3.24Å; V480-C483 WeakPolarHBondContact O-CB 3.5Å; V480-C483 PolarHBondContact O-N 3.3Å; V480-C483 VanDerWaalsContact O-N 3.08Å; D481-C483 VanDerWaalsContact C-N 3.27Å; D481-C483 PolarHBondContact O-N 3.01Å; C483-S485 VanDerWaalsContact C-N 3.29Å; C483-R491 WeakPolarHBondContact O-CD 3.49Å; C483-R491 WeakPolarHBondContact O-CG 3.45Å; C483-C494 WeakPolarHBondContact SG-CB 3.3Å; C483-Y495 HydrophobicContact CB-CE1 4Å; C483-Y495 VanDerWaalsContact SG-CE1 3.53Å; C483-I498 VanDerWaalsContact SG-CD1 3.59Å; C483-Q523 PolarHBondContact O-NE2 3.08Å |
| 484 | A | 93.2 | Very high | 93.5 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 63% | 0.628 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D481 S482 | D481-A484 WeakPolarHBondContact O-CB 3.44Å; D481-A484 PolarHBondContact O-N 3.41Å; D481-A484 VanDerWaalsContact O-N 3.15Å; S482-A484 PolarHBondContact O-N 3.36Å |
| 485 | S | 93.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | trans | -62.2 | 144.2 | -176.7 | -176.7 | 0 | 0 | 0 | 0 | 114 | S482 C483 S487 R491 | S482-S485 WeakPolarHBondContact O-CB 3.49Å; S482-S485 PolarHBondContact O-N 3.11Å; C483-S485 VanDerWaalsContact C-N 3.29Å; S485-S487 VanDerWaalsContact C-N 3.3Å; S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 PolarHBondContact OG-N 2.86Å; S485-R491 VanDerWaalsContact O-CD 3.25Å; S485-R491 WeakPolarHBondContact O-CD 3.4Å; S485-R491 WeakPolarHBondContact O-CG 3.38Å; S485-R491 PolarHBondContact O-NH1 3.28Å | ||
| 486 | K | 93.6 | Very high | 93.9 | Very high | 207 Ų | 207 | 43 Ų | 43 | 90% | 0.9 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -66.1 | -30.1 | 175.3 | -64.9 | -180 | -178.2 | 175.4 | 0 | 112.5 | R488 R491 | K486-R488 PolarHBondContact O-N 2.86Å; K486-R491 PolarHBondContact O-NH1 3.38Å |
| 487 | S | 93.9 | Very high | 94 | Very high | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | trans | -71.1 | 126.4 | 175.6 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | S485 E489 I490 R491 | S485-S487 VanDerWaalsContact C-N 3.3Å; S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 PolarHBondContact OG-N 2.86Å; S487-E489 VanDerWaalsContact C-N 3.28Å; S487-E489 WeakPolarHBondContact OG-CB 3.29Å; S487-E489 PolarHBondContact OG-N 2.76Å; S487-E489 PolarHBondContact OG-OE2 2.85Å; S487-I490 PolarHBondContact O-N 3.18Å; S487-I490 PolarHBondContact OG-N 3.1Å; S487-R491 PolarHBondContact O-N 3.16Å; S487-R491 PolarHBondContact O-NH1 2.64Å | ||
| 488 | R | 92.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 41 Ų | 41 | 53% | 0.525 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -32.8 | 173.2 | 64.4 | -178.9 | 178.6 | -177.6 | -0.1 | 111.3 | K486 R491 R492 | K486-R488 PolarHBondContact O-N 2.86Å; R488-R491 PolarHBondContact O-N 3.38Å; R488-R492 WeakPolarHBondContact O-CB 3.44Å; R488-R492 WeakPolarHBondContact O-CD 3.31Å; R488-R492 WeakPolarHBondContact O-CG 3.48Å; R488-R492 PolarHBondContact O-N 3.39Å |
| 489 | E | 92.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 178 | -62.8 | 73.1 | -162.4 | 0 | 0 | 110.5 | S487 A493 | S487-E489 VanDerWaalsContact C-N 3.28Å; S487-E489 WeakPolarHBondContact OG-CB 3.29Å; S487-E489 PolarHBondContact OG-N 2.76Å; S487-E489 PolarHBondContact OG-OE2 2.85Å; E489-A493 WeakPolarHBondContact O-CB 3.49Å; E489-A493 PolarHBondContact O-N 3.42Å; E489-A493 VanDerWaalsContact O-N 3.11Å |
| 490 | I | 94.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 174 | -69.8 | 175.3 | 0 | 0 | 0 | 110.9 | V445 I448 Q449 S487 R492 A493 C494 | V445-I490 HydrophobicContact CG1-CG2 3.73Å; I448-I490 HydrophobicContact CB-CG1 4.21Å; Q449-I490 HydrophobicContact CB-CD1 4.19Å; Q449-I490 HydrophobicContact CB-CG1 4.23Å; Q449-I490 HydrophobicContact CG-CD1 4.3Å; S487-I490 PolarHBondContact O-N 3.18Å; S487-I490 PolarHBondContact OG-N 3.1Å; I490-R492 PolarHBondContact O-N 3.08Å; I490-A493 PolarHBondContact O-N 3.36Å; I490-C494 PolarHBondContact O-N 3Å; I490-C494 PolarHBondContact O-SG 3.14Å |
| 491 | R | 95.1 | Very high | 93.8 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | -178.8 | -64.3 | -162.7 | -49.7 | -77 | -2.8 | 112.7 | C483 S485 K486 S487 R488 A493 C494 Y495 D527 | C483-R491 WeakPolarHBondContact O-CD 3.49Å; C483-R491 WeakPolarHBondContact O-CG 3.45Å; S485-R491 VanDerWaalsContact O-CD 3.25Å; S485-R491 WeakPolarHBondContact O-CD 3.4Å; S485-R491 WeakPolarHBondContact O-CG 3.38Å; S485-R491 PolarHBondContact O-NH1 3.28Å; K486-R491 PolarHBondContact O-NH1 3.38Å; S487-R491 PolarHBondContact O-N 3.16Å; S487-R491 PolarHBondContact O-NH1 2.64Å; R488-R491 PolarHBondContact O-N 3.38Å; R491-A493 VanDerWaalsContact C-N 3.31Å; R491-A493 PolarHBondContact O-N 3.16Å; R491-C494 PolarHBondContact O-N 3.42Å; R491-Y495 HydrophobicContact CB-CE2 4.2Å; R491-Y495 WeakPolarHBondContact O-CD2 3.48Å; R491-Y495 PolarHBondContact O-N 3.49Å; R491-Y495 VanDerWaalsContact O-N 3.07Å; R491-D527 WeakPolarHBondContact CD-OD2 3.09Å; R491-D527 IonicContact CZ-OD1 3.44Å; R491-D527 IonicContact CZ-OD2 3.82Å; R491-D527 IonicContact NE-OD1 3.45Å; R491-D527 IonicContact NE-OD2 2.89Å; R491-D527 PolarHBondContact NE-OD2 3.34Å; R491-D527 IonicContact NH2-OD1 2.69Å; R491-D527 PolarHBondContact NH2-OD1 2.67Å; R491-D527 IonicContact NH2-OD2 3.34Å |
| 492 | R | 93.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 22% | 0.223 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52 | -50.5 | 172.7 | -73.2 | 160.6 | 174.6 | -123.8 | -10.5 | 111.1 | R488 I490 Y495 D496 D529 D531 A532 | R488-R492 WeakPolarHBondContact O-CB 3.44Å; R488-R492 WeakPolarHBondContact O-CD 3.31Å; R488-R492 WeakPolarHBondContact O-CG 3.48Å; R488-R492 PolarHBondContact O-N 3.39Å; I490-R492 PolarHBondContact O-N 3.08Å; R492-Y495 PolarHBondContact O-N 3.37Å; R492-D496 PolarHBondContact O-N 3.23Å; R492-D496 VanDerWaalsContact O-N 3.16Å; R492-D529 IonicContact CZ-OD1 3.93Å; R492-D529 VanDerWaalsContact CZ-OD1 3.31Å; R492-D529 IonicContact CZ-OD2 3.23Å; R492-D529 VanDerWaalsContact CZ-OD2 3.29Å; R492-D529 IonicContact NE-OD1 3.1Å; R492-D529 PolarHBondContact NE-OD1 3.12Å; R492-D529 VanDerWaalsContact NE-OD1 3.07Å; R492-D529 IonicContact NE-OD2 2.68Å; R492-D529 PolarHBondContact NE-OD2 3.3Å; R492-D529 VanDerWaalsContact NH2-CG 3.28Å; R492-D529 IonicContact NH2-OD1 2.65Å; R492-D529 PolarHBondContact NH2-OD1 3.37Å; R492-D529 IonicContact NH2-OD2 2.95Å; R492-D529 PolarHBondContact NH2-OD2 3.38Å; R492-D529 VanDerWaalsContact NH2-OD2 3.07Å; R492-D531 HydrophobicContact CG-CB 4.22Å; R492-D531 IonicContact CZ-OD2 2.68Å; R492-D531 IonicContact NH1-OD2 3.2Å; R492-D531 PolarHBondContact NH1-OD2 2.89Å; R492-D531 IonicContact NH2-OD2 2.7Å; R492-D531 PolarHBondContact NH2-OD2 3.27Å; R492-A532 HydrophobicContact CG-CB 4.01Å |
| 493 | A | 93.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I448 M460 E489 I490 R491 Y495 D496 M497 | I448-A493 HydrophobicContact CD1-CB 3.82Å; I448-A493 HydrophobicContact CG2-CB 3.81Å; M460-A493 HydrophobicContact CE-CB 3.83Å; M460-A493 HydrophobicContact SD-CB 3.46Å; M460-A493 WeakPolarHBondContact SD-CB 3.42Å; E489-A493 WeakPolarHBondContact O-CB 3.49Å; E489-A493 PolarHBondContact O-N 3.42Å; E489-A493 VanDerWaalsContact O-N 3.11Å; I490-A493 PolarHBondContact O-N 3.36Å; R491-A493 VanDerWaalsContact C-N 3.31Å; R491-A493 PolarHBondContact O-N 3.16Å; A493-Y495 VanDerWaalsContact C-N 3.33Å; A493-Y495 PolarHBondContact O-N 2.89Å; A493-D496 PolarHBondContact O-N 3.04Å; A493-M497 HydrophobicContact CB-CE 4.43Å; A493-M497 VanDerWaalsContact O-CG 3.3Å; A493-M497 WeakPolarHBondContact O-CG 3.43Å; A493-M497 PolarHBondContact O-N 3.39Å |
| 494 | C | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | I479 S482 C483 I490 R491 M497 I498 | I479-C494 HydrophobicContact CG2-CB 4.13Å; S482-C494 VanDerWaalsContact CB-SG 3.51Å; C483-C494 WeakPolarHBondContact SG-CB 3.3Å; I490-C494 PolarHBondContact O-N 3Å; I490-C494 PolarHBondContact O-SG 3.14Å; R491-C494 PolarHBondContact O-N 3.42Å; C494-M497 PolarHBondContact O-N 3.23Å; C494-I498 VanDerWaalsContact O-CG1 3.26Å; C494-I498 WeakPolarHBondContact O-CG1 3.48Å; C494-I498 PolarHBondContact O-N 3.28Å |
| 495 | Y | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.8 | -30.5 | 173.9 | -63.1 | -53.5 | 0 | 0 | 0 | 113.4 | C483 R491 R492 A493 I498 A499 A520 G524 A532 | C483-Y495 HydrophobicContact CB-CE1 4Å; C483-Y495 VanDerWaalsContact SG-CE1 3.53Å; R491-Y495 HydrophobicContact CB-CE2 4.2Å; R491-Y495 WeakPolarHBondContact O-CD2 3.48Å; R491-Y495 PolarHBondContact O-N 3.49Å; R491-Y495 VanDerWaalsContact O-N 3.07Å; R492-Y495 PolarHBondContact O-N 3.37Å; A493-Y495 VanDerWaalsContact C-N 3.33Å; A493-Y495 PolarHBondContact O-N 2.89Å; Y495-I498 HydrophobicContact CD1-CD1 4.19Å; Y495-A499 PolarHBondContact O-N 3.46Å; Y495-A520 WeakPolarHBondContact CE1-O 3.36Å; Y495-G524 VanDerWaalsContact CE1-CA 3.49Å; Y495-G524 WeakPolarHBondContact OH-CA 3.43Å; Y495-G524 PolarHBondContact OH-N 3.26Å; Y495-A532 HydrophobicContact CD2-CB 3.96Å; Y495-A532 HydrophobicContact CE2-CB 4.27Å |
| 496 | D | 93.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -42.9 | 170.1 | -170.1 | 56 | 0 | 0 | 0 | 111.1 | R464 R492 A493 I498 A499 S500 A535 | R464-D496 IonicContact CZ-OD2 3.59Å; R464-D496 IonicContact NH2-OD2 3.31Å; R464-D496 PolarHBondContact NH2-OD2 3.31Å; R492-D496 PolarHBondContact O-N 3.23Å; R492-D496 VanDerWaalsContact O-N 3.16Å; A493-D496 PolarHBondContact O-N 3.04Å; D496-I498 PolarHBondContact O-N 3.35Å; D496-A499 WeakPolarHBondContact O-CB 3.29Å; D496-A499 PolarHBondContact O-N 3.01Å; D496-A499 VanDerWaalsContact O-N 3.16Å; D496-S500 PolarHBondContact O-N 3.13Å; D496-S500 PolarHBondContact O-OG 2.84Å; D496-A535 HydrophobicContact CB-CB 4.47Å |
| 497 | M | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 173.9 | -71.3 | 177.4 | -164.9 | 0 | 0 | 112.5 | I448 M460 C463 I467 I479 A493 C494 A499 S500 I501 | I448-M497 HydrophobicContact CD1-CE 3.79Å; M460-M497 HydrophobicContact CE-CE 3.91Å; M460-M497 HydrophobicContact SD-CE 3.63Å; C463-M497 HydrophobicContact CB-CE 3.39Å; C463-M497 HydrophobicContact CB-SD 4.02Å; I467-M497 HydrophobicContact CD1-CB 3.62Å; I467-M497 HydrophobicContact CD1-CG 3.62Å; I467-M497 HydrophobicContact CD1-SD 4.04Å; I479-M497 HydrophobicContact CD1-CB 4.48Å; I479-M497 HydrophobicContact CG2-CB 4.16Å; A493-M497 HydrophobicContact CB-CE 4.43Å; A493-M497 VanDerWaalsContact O-CG 3.3Å; A493-M497 WeakPolarHBondContact O-CG 3.43Å; A493-M497 PolarHBondContact O-N 3.39Å; C494-M497 PolarHBondContact O-N 3.23Å; M497-A499 VanDerWaalsContact C-N 3.32Å; M497-A499 PolarHBondContact O-N 3.43Å; M497-S500 PolarHBondContact O-N 2.97Å; M497-I501 WeakPolarHBondContact O-CG1 3.38Å; M497-I501 PolarHBondContact O-N 3.14Å |
| 498 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 174.1 | -70.6 | 165.8 | 0 | 0 | 0 | 110.6 | I479 V480 C483 C494 Y495 D496 I501 C502 L517 A520 I521 A539 | I479-I498 HydrophobicContact CG2-CD1 4.3Å; I479-I498 HydrophobicContact CG2-CG1 3.87Å; V480-I498 HydrophobicContact CG2-CD1 4.24Å; C483-I498 VanDerWaalsContact SG-CD1 3.59Å; C494-I498 VanDerWaalsContact O-CG1 3.26Å; C494-I498 WeakPolarHBondContact O-CG1 3.48Å; C494-I498 PolarHBondContact O-N 3.28Å; Y495-I498 HydrophobicContact CD1-CD1 4.19Å; D496-I498 PolarHBondContact O-N 3.35Å; I498-I501 PolarHBondContact O-N 3Å; I498-C502 PolarHBondContact O-N 3.34Å; I498-C502 PolarHBondContact O-SG 3.49Å; I498-C502 VanDerWaalsContact O-SG 3.34Å; I498-L517 HydrophobicContact CG2-CD2 3.95Å; I498-A520 HydrophobicContact CD1-CB 3.93Å; I498-I521 HydrophobicContact CG2-CG1 4.26Å; I498-A539 HydrophobicContact CG2-CB 4.06Å |
| 499 | A | 93 | Very high | 91.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y495 D496 M497 I501 C502 E503 K538 A539 | Y495-A499 PolarHBondContact O-N 3.46Å; D496-A499 WeakPolarHBondContact O-CB 3.29Å; D496-A499 PolarHBondContact O-N 3.01Å; D496-A499 VanDerWaalsContact O-N 3.16Å; M497-A499 VanDerWaalsContact C-N 3.32Å; M497-A499 PolarHBondContact O-N 3.43Å; A499-I501 PolarHBondContact O-N 3.14Å; A499-C502 PolarHBondContact O-N 2.99Å; A499-E503 WeakPolarHBondContact O-CB 3.37Å; A499-E503 PolarHBondContact O-N 3.29Å; A499-K538 HydrophobicContact CB-CB 4.3Å; A499-K538 HydrophobicContact CB-CD 3.8Å; A499-K538 HydrophobicContact CB-CG 4.03Å; A499-A539 HydrophobicContact CB-CB 3.89Å |
| 500 | S | 91.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | D496 M497 E503 Q504 | D496-S500 PolarHBondContact O-N 3.13Å; D496-S500 PolarHBondContact O-OG 2.84Å; M497-S500 PolarHBondContact O-N 2.97Å; S500-E503 PolarHBondContact O-N 2.88Å; S500-Q504 VanDerWaalsContact O-CB 3.25Å; S500-Q504 WeakPolarHBondContact O-CB 3.32Å; S500-Q504 VanDerWaalsContact O-CG 3.26Å; S500-Q504 WeakPolarHBondContact O-CG 3.34Å; S500-Q504 PolarHBondContact O-N 3.24Å |
| 501 | I | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 173.4 | -74.3 | 161.3 | 0 | 0 | 0 | 110.2 | I467 I476 I479 M497 I498 A499 E503 Q504 W505 L510 | I467-I501 HydrophobicContact CD1-CD1 4.42Å; I467-I501 HydrophobicContact CG1-CD1 4.41Å; I467-I501 HydrophobicContact CG1-CG1 4.35Å; I467-I501 HydrophobicContact CG2-CG1 3.59Å; I476-I501 HydrophobicContact CD1-CG2 4.22Å; I476-I501 HydrophobicContact CG1-CD1 4.46Å; I476-I501 HydrophobicContact CG1-CG2 4.27Å; I479-I501 HydrophobicContact CD1-CD1 3.59Å; M497-I501 WeakPolarHBondContact O-CG1 3.38Å; M497-I501 PolarHBondContact O-N 3.14Å; I498-I501 PolarHBondContact O-N 3Å; A499-I501 PolarHBondContact O-N 3.14Å; I501-E503 PolarHBondContact O-N 3.48Å; I501-Q504 PolarHBondContact O-N 3.45Å; I501-W505 HydrophobicContact CG1-CZ2 4.32Å; I501-W505 HydrophobicContact CG2-CD2 4.05Å; I501-W505 HydrophobicContact CG2-CE3 4.23Å; I501-W505 HydrophobicContact CG2-CG 4.33Å; I501-W505 VanDerWaalsContact O-CB 3.28Å; I501-W505 WeakPolarHBondContact O-CB 3.37Å; I501-W505 PolarHBondContact O-N 2.94Å; I501-L510 HydrophobicContact CG2-CD2 3.49Å; I501-L510 VanDerWaalsContact CG2-CD2 3.49Å |
| 502 | C | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -18.9 | 178.9 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | I498 A499 C542 H546 | I498-C502 PolarHBondContact O-N 3.34Å; I498-C502 PolarHBondContact O-SG 3.49Å; I498-C502 VanDerWaalsContact O-SG 3.34Å; A499-C502 PolarHBondContact O-N 2.99Å; C502-C542 HydrophobicContact CB-CB 3.53Å; C502-H546 PolarHBondContact O-CE1 3.08Å; C502-H546 PolarHBondContact O-ND1 3.24Å; C502-H546 VanDerWaalsContact O-ND1 3.16Å |
| 503 | E | 89.4 | Confident | 90.8 | Very high | 77 Ų | 77 | 38.8 Ų | 38.8 | 36% | 0.36 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -90.3 | -33.4 | 179 | -177.6 | 170.6 | -149.9 | 0 | 0 | 112.4 | L316 A499 S500 I501 K538 C542 | L316-E503 VanDerWaalsContact CD1-OE1 3.27Å; L316-E503 WeakPolarHBondContact CD1-OE1 3.38Å; L316-E503 WeakPolarHBondContact CD2-OE1 3.24Å; A499-E503 WeakPolarHBondContact O-CB 3.37Å; A499-E503 PolarHBondContact O-N 3.29Å; S500-E503 PolarHBondContact O-N 2.88Å; I501-E503 PolarHBondContact O-N 3.48Å; E503-K538 WeakPolarHBondContact OE2-CE 3.42Å; E503-K538 IonicContact OE2-NZ 3.13Å; E503-K538 PolarHBondContact OE2-NZ 2.81Å; E503-C542 HydrophobicContact CB-CB 4.35Å |
| 504 | Q | 87.4 | Confident | 90.7 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -104.8 | -23.1 | -172.5 | -63.2 | 174.9 | 17.6 | 0 | 0 | 114.6 | S500 I501 | S500-Q504 VanDerWaalsContact O-CB 3.25Å; S500-Q504 WeakPolarHBondContact O-CB 3.32Å; S500-Q504 VanDerWaalsContact O-CG 3.26Å; S500-Q504 WeakPolarHBondContact O-CG 3.34Å; S500-Q504 PolarHBondContact O-N 3.24Å; I501-Q504 PolarHBondContact O-N 3.45Å |
| 505 | W | 90.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -98.2 | 142.4 | -175.8 | -63.8 | 20.5 | 0 | 0 | 0 | 110.9 | I467 T470 R471 I475 I476 I501 E509 L510 H546 | I467-W505 PolarHBondContact O-NE1 3.32Å; T470-W505 WeakPolarHBondContact O-CZ2 3.37Å; R471-W505 HydrophobicContact CB-CD2 4.09Å; R471-W505 HydrophobicContact CB-CE3 4.21Å; R471-W505 HydrophobicContact CB-CH2 4.39Å; R471-W505 HydrophobicContact CB-CZ2 4.24Å; R471-W505 HydrophobicContact CB-CZ3 4.34Å; R471-W505 HydrophobicContact CG-CD2 4.14Å; R471-W505 HydrophobicContact CG-CG 4.37Å; R471-W505 HydrophobicContact CG-CZ2 4.3Å; I475-W505 HydrophobicContact CG2-CH2 4.48Å; I476-W505 HydrophobicContact CD1-CE3 4.05Å; I476-W505 HydrophobicContact CD1-CH2 4.3Å; I476-W505 HydrophobicContact CD1-CZ3 3.57Å; I476-W505 HydrophobicContact CG1-CH2 3.96Å; I476-W505 HydrophobicContact CG1-CZ3 3.75Å; I501-W505 HydrophobicContact CG1-CZ2 4.32Å; I501-W505 HydrophobicContact CG2-CD2 4.05Å; I501-W505 HydrophobicContact CG2-CE3 4.23Å; I501-W505 HydrophobicContact CG2-CG 4.33Å; I501-W505 VanDerWaalsContact O-CB 3.28Å; I501-W505 WeakPolarHBondContact O-CB 3.37Å; I501-W505 PolarHBondContact O-N 2.94Å; W505-E509 WeakPolarHBondContact CA-OE2 3.3Å; W505-E509 HydrophobicContact CB-CB 4.34Å; W505-E509 HydrophobicContact CE3-CB 4.09Å; W505-L510 HydrophobicContact CB-CD1 4.32Å; W505-L510 HydrophobicContact CB-CD2 3.87Å; W505-L510 HydrophobicContact CB-CG 3.99Å; W505-L510 HydrophobicContact CD2-CD2 4.3Å; W505-L510 HydrophobicContact CE3-CD2 3.83Å; W505-L510 HydrophobicContact CG-CD2 4.4Å; W505-H546 PolarHBondContact O-NE2 2.88Å |
| 506 | N | 86.1 | Confident | 90.4 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | trans | -75 | 151.6 | -180 | -65.4 | -71.5 | 0 | 0 | 0 | 111.6 | Q508 E509 L510 | N506-Q508 PolarHBondContact O-N 2.99Å; N506-E509 WeakPolarHBondContact CB-OE2 3.2Å; N506-E509 PolarHBondContact N-OE2 3.27Å; N506-E509 PolarHBondContact ND2-OE2 3.4Å; N506-E509 WeakPolarHBondContact O-CB 3.3Å; N506-E509 PolarHBondContact O-N 3.39Å; N506-L510 PolarHBondContact O-N 2.95Å | ||
| 507 | R | 85.7 | Confident | 90.4 | Very high | 76 Ų | 76 | 45 Ų | 45 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -41.6 | -38.7 | 177.3 | -161.3 | 178.4 | 165.5 | 142.1 | -2.6 | 116 | K270 L510 E511 H546 F547 | K270-R507 HydrophobicContact CD-CB 4.28Å; R507-L510 PolarHBondContact O-N 3.02Å; R507-E511 HydrophobicContact CG-CG 4.47Å; R507-E511 WeakPolarHBondContact CG-OE1 3.45Å; R507-E511 IonicContact NE-OE1 3.82Å; R507-E511 VanDerWaalsContact O-CG 3.22Å; R507-E511 WeakPolarHBondContact O-CG 3.39Å; R507-E511 PolarHBondContact O-N 3.44Å; R507-H546 VanDerWaalsContact CZ-O 3.26Å; R507-H546 PolarHBondContact N-CD2 3.34Å; R507-H546 PolarHBondContact NE-O 3.24Å; R507-H546 PolarHBondContact NH1-O 3.46Å; R507-F547 HydrophobicContact CG-CE1 3.93Å; R507-F547 HydrophobicContact CG-CZ 3.94Å |
| 508 | Q | 86.1 | Confident | 90.4 | Very high | 113 Ų | 113 | 46.4 Ų | 46.4 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.6 | -29 | -178 | -83.8 | 158.1 | -43.4 | 0 | 0 | 113.2 | K270 N506 L510 | K270-Q508 HydrophobicContact CD-CG 4.24Å; K270-Q508 VanDerWaalsContact NZ-CD 3.31Å; N506-Q508 PolarHBondContact O-N 2.99Å; Q508-L510 VanDerWaalsContact C-N 3.34Å |
| 509 | E | 86.6 | Confident | 90.3 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.2 | -29.3 | 176.8 | -62.2 | 164.1 | 146.5 | 0 | 0 | 110 | R471 W505 N506 | R471-E509 VanDerWaalsContact CD-OE1 3.23Å; R471-E509 WeakPolarHBondContact CD-OE1 3.39Å; R471-E509 IonicContact NH1-OE1 3.07Å; W505-E509 WeakPolarHBondContact CA-OE2 3.3Å; W505-E509 HydrophobicContact CB-CB 4.34Å; W505-E509 HydrophobicContact CE3-CB 4.09Å; N506-E509 WeakPolarHBondContact CB-OE2 3.2Å; N506-E509 PolarHBondContact N-OE2 3.27Å; N506-E509 PolarHBondContact ND2-OE2 3.4Å; N506-E509 WeakPolarHBondContact O-CB 3.3Å; N506-E509 PolarHBondContact O-N 3.39Å |
| 510 | L | 89.5 | Confident | 90.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -91.4 | -21.3 | -178.4 | -59 | 177 | 0 | 0 | 0 | 114.6 | I476 I501 W505 N506 R507 Q508 K512 S513 T514 L517 F547 | I476-L510 HydrophobicContact CD1-CD2 3.94Å; I501-L510 HydrophobicContact CG2-CD2 3.49Å; I501-L510 VanDerWaalsContact CG2-CD2 3.49Å; W505-L510 HydrophobicContact CB-CD1 4.32Å; W505-L510 HydrophobicContact CB-CD2 3.87Å; W505-L510 HydrophobicContact CB-CG 3.99Å; W505-L510 HydrophobicContact CD2-CD2 4.3Å; W505-L510 HydrophobicContact CE3-CD2 3.83Å; W505-L510 HydrophobicContact CG-CD2 4.4Å; N506-L510 PolarHBondContact O-N 2.95Å; R507-L510 PolarHBondContact O-N 3.02Å; Q508-L510 VanDerWaalsContact C-N 3.34Å; L510-K512 PolarHBondContact O-N 2.9Å; L510-S513 CarbonylContact O-C 3.59Å; L510-S513 PolarHBondContact O-N 3.3Å; L510-T514 PolarHBondContact O-N 3.49Å; L510-T514 PolarHBondContact O-OG1 2.96Å; L510-L517 HydrophobicContact CB-CD1 4.45Å; L510-L517 HydrophobicContact CD2-CD1 4.07Å; L510-F547 HydrophobicContact CB-CE2 3.65Å; L510-F547 HydrophobicContact CB-CZ 3.9Å; L510-F547 HydrophobicContact CD1-CE2 4.33Å |
| 511 | E | 87.7 | Confident | 90.5 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.7 | -174.7 | -95.9 | 156.6 | -153.2 | 0 | 0 | 114.3 | R507 T514 F547 | R507-E511 HydrophobicContact CG-CG 4.47Å; R507-E511 WeakPolarHBondContact CG-OE1 3.45Å; R507-E511 IonicContact NE-OE1 3.82Å; R507-E511 VanDerWaalsContact O-CG 3.22Å; R507-E511 WeakPolarHBondContact O-CG 3.39Å; R507-E511 PolarHBondContact O-N 3.44Å; E511-T514 PolarHBondContact O-OG1 2.91Å; E511-F547 HydrophobicContact CG-CE1 3.98Å; E511-F547 HydrophobicContact CG-CZ 4.14Å |
| 512 | K | 88.6 | Confident | 90.6 | Very high | 179 Ų | 179 | 53.5 Ų | 53.5 | 78% | 0.778 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19.6 | 177 | -65.3 | -178.2 | -179.4 | 178.4 | 0 | 114 | L510 | L510-K512 PolarHBondContact O-N 2.9Š|
| 513 | S | 90.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 8.2 | -175 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | S473 L510 S515 L516 L517 | S473-S513 PolarHBondContact OG-OG 3.36Å; L510-S513 CarbonylContact O-C 3.59Å; L510-S513 PolarHBondContact O-N 3.3Å; S513-S515 VanDerWaalsContact C-N 3.29Å; S513-S515 PolarHBondContact O-N 3.34Å; S513-L516 PolarHBondContact O-N 2.98Å; S513-L516 VanDerWaalsContact O-N 3.1Å; S513-L517 WeakPolarHBondContact O-CG 3.22Å; S513-L517 PolarHBondContact O-N 2.97Å |
| 514 | T | 91.2 | Very high | 90.8 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.1 | -42.2 | -174.5 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | L510 E511 Q518 F543 F547 Q550 | L510-T514 PolarHBondContact O-N 3.49Å; L510-T514 PolarHBondContact O-OG1 2.96Å; E511-T514 PolarHBondContact O-OG1 2.91Å; T514-Q518 VanDerWaalsContact O-CB 3.26Å; T514-Q518 WeakPolarHBondContact O-CB 3.42Å; T514-Q518 PolarHBondContact O-N 3.08Å; T514-F543 HydrophobicContact CG2-CE2 3.99Å; T514-F543 HydrophobicContact CG2-CZ 3.76Å; T514-F547 HydrophobicContact CG2-CB 4.23Å; T514-F547 HydrophobicContact CG2-CD1 3.72Å; T514-F547 HydrophobicContact CG2-CD2 4.05Å; T514-F547 HydrophobicContact CG2-CE1 4.06Å; T514-F547 HydrophobicContact CG2-CE2 4.36Å; T514-F547 HydrophobicContact CG2-CG 3.73Å; T514-F547 HydrophobicContact CG2-CZ 4.37Å; T514-F547 WeakPolarHBondContact OG1-CE1 3.44Å; T514-F547 VanDerWaalsContact OG1-CZ 3.27Å; T514-F547 WeakPolarHBondContact OG1-CZ 3.23Å; T514-Q550 HydrophobicContact CG2-CB 4.34Å; T514-Q550 HydrophobicContact CG2-CG 3.92Å |
| 515 | S | 92.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.5 | -39.9 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | S513 Q518 N519 | S513-S515 VanDerWaalsContact C-N 3.29Å; S513-S515 PolarHBondContact O-N 3.34Å; S515-Q518 PolarHBondContact O-N 3.28Å; S515-N519 WeakPolarHBondContact O-CB 3.44Å; S515-N519 PolarHBondContact O-N 2.73Å; S515-N519 PolarHBondContact O-ND2 3.07Å |
| 516 | L | 93.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 53 Ų | 53 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175 | -67.3 | 173.7 | 0 | 0 | 0 | 110.8 | S513 N519 A520 | S513-L516 PolarHBondContact O-N 2.98Å; S513-L516 VanDerWaalsContact O-N 3.1Å; L516-N519 PolarHBondContact O-N 2.95Å; L516-A520 WeakPolarHBondContact O-CB 3.46Å; L516-A520 PolarHBondContact O-N 3.34Å |
| 517 | L | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.6 | -68.8 | 167.7 | 0 | 0 | 0 | 111.5 | I476 I498 L510 S513 N519 A520 I521 F543 | I476-L517 HydrophobicContact CG2-CD2 3.72Å; I476-L517 HydrophobicContact CG2-CG 4.04Å; I498-L517 HydrophobicContact CG2-CD2 3.95Å; L510-L517 HydrophobicContact CB-CD1 4.45Å; L510-L517 HydrophobicContact CD2-CD1 4.07Å; S513-L517 WeakPolarHBondContact O-CG 3.22Å; S513-L517 PolarHBondContact O-N 2.97Å; L517-N519 VanDerWaalsContact C-N 3.31Å; L517-N519 PolarHBondContact O-N 3.47Å; L517-A520 PolarHBondContact O-N 3.14Å; L517-I521 WeakPolarHBondContact O-CB 3.48Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.14Å; L517-I521 PolarHBondContact O-N 3.28Å; L517-F543 HydrophobicContact CB-CD2 4.05Å; L517-F543 HydrophobicContact CB-CE2 3.86Å |
| 518 | Q | 93.6 | Very high | 92 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 177.8 | -167.7 | -168 | 16.1 | 0 | 0 | 111.9 | T514 S515 R522 F543 Q550 L554 | T514-Q518 VanDerWaalsContact O-CB 3.26Å; T514-Q518 WeakPolarHBondContact O-CB 3.42Å; T514-Q518 PolarHBondContact O-N 3.08Å; S515-Q518 PolarHBondContact O-N 3.28Å; Q518-R522 PolarHBondContact O-N 3.44Å; Q518-F543 HydrophobicContact CB-CE1 4.31Å; Q518-F543 HydrophobicContact CB-CZ 3.92Å; Q518-F543 HydrophobicContact CG-CE1 4.34Å; Q518-F543 HydrophobicContact CG-CZ 4.39Å; Q518-Q550 PolarHBondContact NE2-O 3.36Å; Q518-L554 HydrophobicContact CG-CB 3.99Å; Q518-L554 HydrophobicContact CG-CD2 4.13Å; Q518-L554 HydrophobicContact CG-CG 4.48Å |
| 519 | N | 93.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.9 | -42.7 | 177.1 | -72.1 | -18.6 | 0 | 0 | 0 | 112.2 | S515 L516 L517 R522 Q523 | S515-N519 WeakPolarHBondContact O-CB 3.44Å; S515-N519 PolarHBondContact O-N 2.73Å; S515-N519 PolarHBondContact O-ND2 3.07Å; L516-N519 PolarHBondContact O-N 2.95Å; L517-N519 VanDerWaalsContact C-N 3.31Å; L517-N519 PolarHBondContact O-N 3.47Å; N519-R522 WeakPolarHBondContact O-CB 3.46Å; N519-R522 PolarHBondContact O-N 2.79Å; N519-R522 PolarHBondContact OD1-NH1 2.94Å; N519-Q523 PolarHBondContact O-N 2.91Å |
| 520 | A | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V480 Y495 I498 L516 L517 Q523 G524 | V480-A520 HydrophobicContact CB-CB 4.5Å; V480-A520 HydrophobicContact CG1-CB 4.03Å; V480-A520 HydrophobicContact CG2-CB 3.87Å; Y495-A520 WeakPolarHBondContact CE1-O 3.36Å; I498-A520 HydrophobicContact CD1-CB 3.93Å; L516-A520 WeakPolarHBondContact O-CB 3.46Å; L516-A520 PolarHBondContact O-N 3.34Å; L517-A520 PolarHBondContact O-N 3.14Å; A520-Q523 WeakPolarHBondContact O-CB 3.24Å; A520-Q523 PolarHBondContact O-N 3.5Å; A520-G524 PolarHBondContact O-N 3.41Å |
| 521 | I | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.1 | -63.6 | 164.8 | 0 | 0 | 0 | 110.3 | I498 L517 Q523 G524 L525 S536 A539 Y540 F543 L554 | I498-I521 HydrophobicContact CG2-CG1 4.26Å; L517-I521 WeakPolarHBondContact O-CB 3.48Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.14Å; L517-I521 PolarHBondContact O-N 3.28Å; I521-Q523 VanDerWaalsContact C-N 3.29Å; I521-Q523 PolarHBondContact O-N 3.26Å; I521-G524 PolarHBondContact O-N 2.93Å; I521-L525 HydrophobicContact CG2-CD1 3.96Å; I521-L525 HydrophobicContact CG2-CG 4.25Å; I521-L525 WeakPolarHBondContact O-CB 3.47Å; I521-L525 VanDerWaalsContact O-CG 3.22Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 2.85Å; I521-S536 PolarHBondContact O-OG 3.1Å; I521-S536 VanDerWaalsContact O-OG 3.14Å; I521-A539 HydrophobicContact CD1-CB 4.37Å; I521-A539 HydrophobicContact CG1-CB 4.12Å; I521-Y540 HydrophobicContact CG2-CD2 4.3Å; I521-F543 HydrophobicContact CD1-CB 3.52Å; I521-F543 HydrophobicContact CD1-CD1 4.24Å; I521-F543 HydrophobicContact CD1-CD2 4.1Å; I521-F543 HydrophobicContact CD1-CG 3.7Å; I521-L554 HydrophobicContact CB-CD2 4.09Å; I521-L554 HydrophobicContact CG2-CD2 3.77Å |
| 522 | R | 94.5 | Very high | 92.6 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 173.7 | -163.3 | -179.6 | -69.5 | 100.5 | -1.8 | 112 | Q518 N519 L554 S557 L558 | Q518-R522 PolarHBondContact O-N 3.44Å; N519-R522 WeakPolarHBondContact O-CB 3.46Å; N519-R522 PolarHBondContact O-N 2.79Å; N519-R522 PolarHBondContact OD1-NH1 2.94Å; R522-L554 HydrophobicContact CB-CD1 3.51Å; R522-L554 HydrophobicContact CG-CD1 3.67Å; R522-S557 PolarHBondContact NE-OG 2.99Å; R522-L558 HydrophobicContact CG-CD2 4.29Å |
| 523 | Q | 93.7 | Very high | 92.8 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -45.9 | 176.9 | -177 | 179 | -31.1 | 0 | 0 | 111.7 | C483 N519 A520 I521 L525 A526 D527 | C483-Q523 PolarHBondContact O-NE2 3.08Å; N519-Q523 PolarHBondContact O-N 2.91Å; A520-Q523 WeakPolarHBondContact O-CB 3.24Å; A520-Q523 PolarHBondContact O-N 3.5Å; I521-Q523 VanDerWaalsContact C-N 3.29Å; I521-Q523 PolarHBondContact O-N 3.26Å; Q523-L525 PolarHBondContact O-N 3.11Å; Q523-A526 CarbonylContact O-C 3.45Å; Q523-A526 WeakPolarHBondContact O-CA 3.34Å; Q523-A526 PolarHBondContact O-N 3.47Å; Q523-D527 PolarHBondContact O-N 2.83Å; Q523-D527 VanDerWaalsContact O-N 3.12Å |
| 524 | G | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y495 A520 I521 A526 D527 R533 S536 | Y495-G524 VanDerWaalsContact CE1-CA 3.49Å; Y495-G524 WeakPolarHBondContact OH-CA 3.43Å; Y495-G524 PolarHBondContact OH-N 3.26Å; A520-G524 PolarHBondContact O-N 3.41Å; I521-G524 PolarHBondContact O-N 2.93Å; G524-A526 PolarHBondContact O-N 3.13Å; G524-D527 WeakPolarHBondContact O-CB 3.44Å; G524-D527 PolarHBondContact O-N 3.28Å; G524-D527 VanDerWaalsContact O-N 3.15Å; G524-R533 WeakPolarHBondContact O-CG 3.34Å; G524-S536 WeakPolarHBondContact CA-OG 2.93Å |
| 525 | L | 93.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18 | 172.5 | -67.7 | 172.9 | 0 | 0 | 0 | 112.9 | I521 Q523 S536 R537 Y540 L558 L566 | I521-L525 HydrophobicContact CG2-CD1 3.96Å; I521-L525 HydrophobicContact CG2-CG 4.25Å; I521-L525 WeakPolarHBondContact O-CB 3.47Å; I521-L525 VanDerWaalsContact O-CG 3.22Å; I521-L525 WeakPolarHBondContact O-CG 3.5Å; I521-L525 PolarHBondContact O-N 2.85Å; Q523-L525 PolarHBondContact O-N 3.11Å; L525-S536 PolarHBondContact N-OG 3.34Å; L525-S536 VanDerWaalsContact N-OG 3.09Å; L525-R537 HydrophobicContact CD2-CB 4.28Å; L525-R537 HydrophobicContact CD2-CG 3.4Å; L525-R537 VanDerWaalsContact CD2-CG 3.4Å; L525-Y540 HydrophobicContact CD1-CD2 4.43Å; L525-L558 HydrophobicContact CB-CD2 4.41Å; L525-L558 HydrophobicContact CD1-CD1 3.62Å; L525-L558 HydrophobicContact CD1-CD2 4.21Å; L525-L566 HydrophobicContact CD1-CD1 3.97Å; L525-L566 HydrophobicContact CD2-CD1 4.47Å; L525-L566 HydrophobicContact CD2-CD2 3.98Å; L525-L566 HydrophobicContact CD2-CG 4.19Å |
| 526 | A | 92.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 44% | 0.438 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 5.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q523 G524 | Q523-A526 CarbonylContact O-C 3.45Å; Q523-A526 WeakPolarHBondContact O-CA 3.34Å; Q523-A526 PolarHBondContact O-N 3.47Å; G524-A526 PolarHBondContact O-N 3.13Å |
| 527 | D | 94.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | trans | -59.5 | 149.9 | 178.6 | -156.9 | -65.1 | 0 | 0 | 0 | 111 | R491 Q523 G524 D529 A532 R533 | R491-D527 WeakPolarHBondContact CD-OD2 3.09Å; R491-D527 IonicContact CZ-OD1 3.44Å; R491-D527 IonicContact CZ-OD2 3.82Å; R491-D527 IonicContact NE-OD1 3.45Å; R491-D527 IonicContact NE-OD2 2.89Å; R491-D527 PolarHBondContact NE-OD2 3.34Å; R491-D527 IonicContact NH2-OD1 2.69Å; R491-D527 PolarHBondContact NH2-OD1 2.67Å; R491-D527 IonicContact NH2-OD2 3.34Å; Q523-D527 PolarHBondContact O-N 2.83Å; Q523-D527 VanDerWaalsContact O-N 3.12Å; G524-D527 WeakPolarHBondContact O-CB 3.44Å; G524-D527 PolarHBondContact O-N 3.28Å; G524-D527 VanDerWaalsContact O-N 3.15Å; D527-D529 PolarHBondContact O-N 3.17Å; D527-D529 WeakPolarHBondContact OD1-CB 3.03Å; D527-D529 PolarHBondContact OD1-N 3.16Å; D527-A532 HydrophobicContact CB-CB 3.94Å; D527-R533 HydrophobicContact CB-CG 4.25Å; D527-R533 VanDerWaalsContact O-CD 3.25Å; D527-R533 WeakPolarHBondContact O-CD 3.32Å; D527-R533 WeakPolarHBondContact O-CG 3.3Å; D527-R533 PolarHBondContact O-NH1 3.39Å | ||
| 528 | A | 93.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 74% | 0.736 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -65.8 | -30.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | R533 | A528-R533 PolarHBondContact O-NH1 2.97Š|
| 529 | D | 91.5 | Very high | 92.6 | Very high | 16 Ų | 16 | 38 Ų | 38 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -84.4 | 131.5 | -174.1 | -174.3 | 93 | 0 | 0 | 0 | 113.2 | R492 D527 D531 A532 R533 | R492-D529 IonicContact CZ-OD1 3.93Å; R492-D529 VanDerWaalsContact CZ-OD1 3.31Å; R492-D529 IonicContact CZ-OD2 3.23Å; R492-D529 VanDerWaalsContact CZ-OD2 3.29Å; R492-D529 IonicContact NE-OD1 3.1Å; R492-D529 PolarHBondContact NE-OD1 3.12Å; R492-D529 VanDerWaalsContact NE-OD1 3.07Å; R492-D529 IonicContact NE-OD2 2.68Å; R492-D529 PolarHBondContact NE-OD2 3.3Å; R492-D529 VanDerWaalsContact NH2-CG 3.28Å; R492-D529 IonicContact NH2-OD1 2.65Å; R492-D529 PolarHBondContact NH2-OD1 3.37Å; R492-D529 IonicContact NH2-OD2 2.95Å; R492-D529 PolarHBondContact NH2-OD2 3.38Å; R492-D529 VanDerWaalsContact NH2-OD2 3.07Å; D527-D529 PolarHBondContact O-N 3.17Å; D527-D529 WeakPolarHBondContact OD1-CB 3.03Å; D527-D529 PolarHBondContact OD1-N 3.16Å; D529-D531 PolarHBondContact O-N 2.75Å; D529-D531 PolarHBondContact OD2-N 3.44Å; D529-A532 HydrophobicContact CB-CB 3.9Å; D529-A532 PolarHBondContact OD2-N 2.92Å; D529-R533 WeakPolarHBondContact O-CG 3.34Å; D529-R533 PolarHBondContact O-N 2.92Å |
| 530 | P | 90.1 | Very high | 92.6 | Very high | 72 Ų | 72 | 34 Ų | 34 | 47% | 0.468 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.7 | -31.6 | -175.6 | 28.1 | -35.3 | 0 | 0 | 0 | 114 | A534 | P530-A534 PolarHBondContact O-N 2.74Å |
| 531 | D | 88.2 | Confident | 92.4 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -79.7 | -36.8 | -178.3 | -58.8 | -36.8 | 0 | 0 | 0 | 109.9 | R492 D529 A534 A535 | R492-D531 HydrophobicContact CG-CB 4.22Å; R492-D531 IonicContact CZ-OD2 2.68Å; R492-D531 IonicContact NH1-OD2 3.2Å; R492-D531 PolarHBondContact NH1-OD2 2.89Å; R492-D531 IonicContact NH2-OD2 2.7Å; R492-D531 PolarHBondContact NH2-OD2 3.27Å; D529-D531 PolarHBondContact O-N 2.75Å; D529-D531 PolarHBondContact OD2-N 3.44Å; D531-A534 WeakPolarHBondContact O-CB 3.2Å; D531-A534 PolarHBondContact O-N 2.68Å; D531-A534 VanDerWaalsContact O-N 3.1Å; D531-A535 PolarHBondContact O-N 2.93Å |
| 532 | A | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R492 Y495 D527 D529 A534 A535 S536 | R492-A532 HydrophobicContact CG-CB 4.01Å; Y495-A532 HydrophobicContact CD2-CB 3.96Å; Y495-A532 HydrophobicContact CE2-CB 4.27Å; D527-A532 HydrophobicContact CB-CB 3.94Å; D529-A532 HydrophobicContact CB-CB 3.9Å; D529-A532 PolarHBondContact OD2-N 2.92Å; A532-A534 VanDerWaalsContact C-N 3.27Å; A532-A534 PolarHBondContact O-N 3.41Å; A532-A535 PolarHBondContact O-N 3.47Å; A532-S536 WeakPolarHBondContact O-CB 3.41Å; A532-S536 PolarHBondContact O-N 3.25Å |
| 533 | R | 93.9 | Very high | 92 | Very high | 81 Ų | 81 | 32 Ų | 32 | 31% | 0.306 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.8 | -34.2 | 172.2 | -72.1 | -169.3 | -59.6 | -98.1 | -1.2 | 112.3 | G524 D527 A528 D529 R537 | G524-R533 WeakPolarHBondContact O-CG 3.34Å; D527-R533 HydrophobicContact CB-CG 4.25Å; D527-R533 VanDerWaalsContact O-CD 3.25Å; D527-R533 WeakPolarHBondContact O-CD 3.32Å; D527-R533 WeakPolarHBondContact O-CG 3.3Å; D527-R533 PolarHBondContact O-NH1 3.39Å; A528-R533 PolarHBondContact O-NH1 2.97Å; D529-R533 WeakPolarHBondContact O-CG 3.34Å; D529-R533 PolarHBondContact O-N 2.92Å; R533-R537 VanDerWaalsContact O-CG 3.3Å; R533-R537 WeakPolarHBondContact O-CG 3.37Å; R533-R537 PolarHBondContact O-N 2.71Å; R533-R537 PolarHBondContact O-NH1 3.42Å |
| 534 | A | 88.9 | Confident | 91.9 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.7 | -47.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P530 D531 A532 S536 R537 K538 | P530-A534 PolarHBondContact O-N 2.74Å; D531-A534 WeakPolarHBondContact O-CB 3.2Å; D531-A534 PolarHBondContact O-N 2.68Å; D531-A534 VanDerWaalsContact O-N 3.1Å; A532-A534 VanDerWaalsContact C-N 3.27Å; A532-A534 PolarHBondContact O-N 3.41Å; A534-S536 VanDerWaalsContact C-N 3.28Å; A534-S536 PolarHBondContact O-N 2.66Å; A534-R537 PolarHBondContact O-N 2.86Å; A534-R537 VanDerWaalsContact O-N 3.09Å; A534-K538 PolarHBondContact O-N 3.07Å |
| 535 | A | 90.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | D496 D531 A532 R537 K538 A539 | D496-A535 HydrophobicContact CB-CB 4.47Å; D531-A535 PolarHBondContact O-N 2.93Å; A532-A535 PolarHBondContact O-N 3.47Å; A535-R537 VanDerWaalsContact C-N 3.35Å; A535-R537 PolarHBondContact O-N 2.58Å; A535-K538 WeakPolarHBondContact O-CB 3.33Å; A535-K538 PolarHBondContact O-N 3.47Å; A535-A539 PolarHBondContact O-N 3.29Å |
| 536 | S | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -28.5 | 175.7 | -168.6 | 0 | 0 | 0 | 0 | 114.1 | I521 G524 L525 A532 A534 Y540 | I521-S536 PolarHBondContact O-OG 3.1Å; I521-S536 VanDerWaalsContact O-OG 3.14Å; G524-S536 WeakPolarHBondContact CA-OG 2.93Å; L525-S536 PolarHBondContact N-OG 3.34Å; L525-S536 VanDerWaalsContact N-OG 3.09Å; A532-S536 WeakPolarHBondContact O-CB 3.41Å; A532-S536 PolarHBondContact O-N 3.25Å; A534-S536 VanDerWaalsContact C-N 3.28Å; A534-S536 PolarHBondContact O-N 2.66Å; S536-Y540 PolarHBondContact O-N 2.88Å |
| 537 | R | 93.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72 | -36.9 | 171 | -71.8 | -172.5 | -44.3 | -83.3 | 5.9 | 111.5 | L525 R533 A534 A535 Y540 W541 L566 D569 | L525-R537 HydrophobicContact CD2-CB 4.28Å; L525-R537 HydrophobicContact CD2-CG 3.4Å; L525-R537 VanDerWaalsContact CD2-CG 3.4Å; R533-R537 VanDerWaalsContact O-CG 3.3Å; R533-R537 WeakPolarHBondContact O-CG 3.37Å; R533-R537 PolarHBondContact O-N 2.71Å; R533-R537 PolarHBondContact O-NH1 3.42Å; A534-R537 PolarHBondContact O-N 2.86Å; A534-R537 VanDerWaalsContact O-N 3.09Å; A535-R537 VanDerWaalsContact C-N 3.35Å; A535-R537 PolarHBondContact O-N 2.58Å; R537-Y540 PolarHBondContact O-N 3.35Å; R537-W541 PolarHBondContact O-N 3.46Å; R537-L566 HydrophobicContact CB-CD2 3.97Å; R537-L566 HydrophobicContact CG-CD2 3.69Å; R537-L566 HydrophobicContact CG-CG 4.19Å; R537-D569 IonicContact CZ-OD2 2.76Å; R537-D569 IonicContact NE-OD2 3.57Å; R537-D569 PolarHBondContact NE-OD2 3.24Å; R537-D569 IonicContact NH2-OD1 3.01Å; R537-D569 IonicContact NH2-OD2 3.18Å; R537-D569 PolarHBondContact NH2-OD2 2.92Å |
| 538 | K | 90.5 | Very high | 90.7 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -50.4 | 168.8 | -172.8 | -165.7 | 169.3 | -155.8 | 0 | 110.5 | A499 E503 A534 A535 Y540 W541 C542 | A499-K538 HydrophobicContact CB-CB 4.3Å; A499-K538 HydrophobicContact CB-CD 3.8Å; A499-K538 HydrophobicContact CB-CG 4.03Å; E503-K538 WeakPolarHBondContact OE2-CE 3.42Å; E503-K538 IonicContact OE2-NZ 3.13Å; E503-K538 PolarHBondContact OE2-NZ 2.81Å; A534-K538 PolarHBondContact O-N 3.07Å; A535-K538 WeakPolarHBondContact O-CB 3.33Å; A535-K538 PolarHBondContact O-N 3.47Å; K538-Y540 VanDerWaalsContact C-N 3.28Å; K538-Y540 PolarHBondContact O-N 3.33Å; K538-W541 PolarHBondContact O-N 2.92Å; K538-W541 VanDerWaalsContact O-N 3.1Å; K538-C542 PolarHBondContact O-N 2.69Å; K538-C542 PolarHBondContact O-SG 3.23Å; K538-C542 VanDerWaalsContact O-SG 3.38Å |
| 539 | A | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I498 A499 I521 A535 F543 | I498-A539 HydrophobicContact CG2-CB 4.06Å; A499-A539 HydrophobicContact CB-CB 3.89Å; I521-A539 HydrophobicContact CD1-CB 4.37Å; I521-A539 HydrophobicContact CG1-CB 4.12Å; A535-A539 PolarHBondContact O-N 3.29Å; A539-F543 WeakPolarHBondContact O-CB 3.29Å; A539-F543 PolarHBondContact O-N 2.94Å |
| 540 | Y | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 174 | 172.8 | -86.4 | 0 | 0 | 0 | 112.1 | I521 L525 S536 R537 K538 F543 S544 A551 L554 F555 L566 | I521-Y540 HydrophobicContact CG2-CD2 4.3Å; L525-Y540 HydrophobicContact CD1-CD2 4.43Å; S536-Y540 PolarHBondContact O-N 2.88Å; R537-Y540 PolarHBondContact O-N 3.35Å; K538-Y540 VanDerWaalsContact C-N 3.28Å; K538-Y540 PolarHBondContact O-N 3.33Å; Y540-F543 PolarHBondContact O-N 2.84Å; Y540-S544 PolarHBondContact O-N 3.38Å; Y540-S544 PolarHBondContact O-OG 2.94Å; Y540-A551 HydrophobicContact CE2-CB 4.17Å; Y540-A551 WeakPolarHBondContact CE2-O 3.15Å; Y540-A551 PolarHBondContact OH-O 2.83Å; Y540-L554 HydrophobicContact CD2-CD2 3.89Å; Y540-L554 HydrophobicContact CD2-CG 4.4Å; Y540-L554 HydrophobicContact CE2-CD2 4.2Å; Y540-L554 HydrophobicContact CE2-CG 4.33Å; Y540-F555 HydrophobicContact CE2-CB 4.36Å; Y540-F555 WeakPolarHBondContact OH-CB 3.42Å; Y540-L566 HydrophobicContact CD1-CD1 4.36Å; Y540-L566 HydrophobicContact CD1-CD2 3.54Å; Y540-L566 HydrophobicContact CD2-CD1 4.24Å; Y540-L566 HydrophobicContact CD2-CD2 4.41Å; Y540-L566 HydrophobicContact CE1-CD1 4.47Å; Y540-L566 HydrophobicContact CE1-CD2 4.26Å; Y540-L566 HydrophobicContact CE2-CD1 4.34Å; Y540-L566 HydrophobicContact CG-CD1 4.27Å; Y540-L566 HydrophobicContact CG-CD2 3.65Å |
| 541 | W | 90.3 | Very high | 90.4 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | -178.5 | -66.3 | 120.2 | 0 | 0 | 0 | 112.1 | R537 K538 F543 S544 D545 I570 Y580 | R537-W541 PolarHBondContact O-N 3.46Å; K538-W541 PolarHBondContact O-N 2.92Å; K538-W541 VanDerWaalsContact O-N 3.1Å; W541-F543 VanDerWaalsContact C-N 3.28Å; W541-F543 PolarHBondContact O-N 3.17Å; W541-S544 WeakPolarHBondContact CA-OG 3.37Å; W541-S544 PolarHBondContact O-N 3.14Å; W541-S544 PolarHBondContact O-OG 3.19Å; W541-D545 PolarHBondContact O-N 3.48Å; W541-I570 HydrophobicContact CH2-CD1 3.73Å; W541-I570 HydrophobicContact CH2-CG1 4.25Å; W541-I570 HydrophobicContact CZ2-CD1 3.67Å; W541-I570 HydrophobicContact CZ2-CG1 3.72Å; W541-Y580 HydrophobicContact CE3-CD1 4.3Å; W541-Y580 AromaticContact CE3-CD2 3.77Å; W541-Y580 HydrophobicContact CE3-CD2 3.77Å; W541-Y580 HydrophobicContact CE3-CE2 4.14Å; W541-Y580 AromaticContact CE3-CG 3.87Å; W541-Y580 HydrophobicContact CE3-CG 3.87Å; W541-Y580 HydrophobicContact CH2-CG 4.49Å; W541-Y580 AromaticContact CZ3-CD1 3.82Å; W541-Y580 HydrophobicContact CZ3-CD1 3.82Å; W541-Y580 AromaticContact CZ3-CD2 3.82Å; W541-Y580 HydrophobicContact CZ3-CD2 3.82Å; W541-Y580 AromaticContact CZ3-CG 3.44Å; W541-Y580 HydrophobicContact CZ3-CG 3.44Å; W541-Y580 VanDerWaalsContact CZ3-CG 3.44Å |
| 542 | C | 89.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -33.7 | 174.8 | -54 | 0 | 0 | 0 | 0 | 112.5 | C502 E503 K538 H546 | C502-C542 HydrophobicContact CB-CB 3.53Å; E503-C542 HydrophobicContact CB-CB 4.35Å; K538-C542 PolarHBondContact O-N 2.69Å; K538-C542 PolarHBondContact O-SG 3.23Å; K538-C542 VanDerWaalsContact O-SG 3.38Å; C542-H546 PolarHBondContact O-ND1 2.89Å; C542-H546 VanDerWaalsContact O-ND1 3.12Å |
| 543 | F | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.2 | -39.4 | 174.5 | 177.6 | -97.4 | 0 | 0 | 0 | 112.1 | T514 L517 Q518 I521 A539 Y540 W541 D545 H546 F547 Q550 A551 | T514-F543 HydrophobicContact CG2-CE2 3.99Å; T514-F543 HydrophobicContact CG2-CZ 3.76Å; L517-F543 HydrophobicContact CB-CD2 4.05Å; L517-F543 HydrophobicContact CB-CE2 3.86Å; Q518-F543 HydrophobicContact CB-CE1 4.31Å; Q518-F543 HydrophobicContact CB-CZ 3.92Å; Q518-F543 HydrophobicContact CG-CE1 4.34Å; Q518-F543 HydrophobicContact CG-CZ 4.39Å; I521-F543 HydrophobicContact CD1-CB 3.52Å; I521-F543 HydrophobicContact CD1-CD1 4.24Å; I521-F543 HydrophobicContact CD1-CD2 4.1Å; I521-F543 HydrophobicContact CD1-CG 3.7Å; A539-F543 WeakPolarHBondContact O-CB 3.29Å; A539-F543 PolarHBondContact O-N 2.94Å; Y540-F543 PolarHBondContact O-N 2.84Å; W541-F543 VanDerWaalsContact C-N 3.28Å; W541-F543 PolarHBondContact O-N 3.17Å; F543-D545 VanDerWaalsContact C-N 3.26Å; F543-D545 PolarHBondContact O-N 2.87Å; F543-H546 PolarHBondContact O-N 2.72Å; F543-H546 VanDerWaalsContact O-N 3.15Å; F543-F547 AromaticContact CD2-CD2 3.93Å; F543-F547 HydrophobicContact CD2-CD2 3.93Å; F543-F547 HydrophobicContact CE1-CB 3.99Å; F543-F547 HydrophobicContact CE2-CB 4.18Å; F543-F547 AromaticContact CE2-CD2 3.61Å; F543-F547 HydrophobicContact CE2-CD2 3.61Å; F543-F547 HydrophobicContact CE2-CE2 4.39Å; F543-F547 HydrophobicContact CE2-CG 4.19Å; F543-F547 HydrophobicContact CZ-CB 3.81Å; F543-F547 HydrophobicContact CZ-CD2 4.12Å; F543-F547 HydrophobicContact CZ-CG 4.24Å; F543-F547 PolarHBondContact O-N 3.31Å; F543-Q550 HydrophobicContact CE1-CB 3.97Å; F543-Q550 HydrophobicContact CZ-CB 4.01Å; F543-A551 HydrophobicContact CD1-CB 4.05Å; F543-A551 HydrophobicContact CE1-CB 4.27Å |
| 544 | S | 90.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -31.2 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | Y540 W541 H546 F547 R548 A551 Y580 | Y540-S544 PolarHBondContact O-N 3.38Å; Y540-S544 PolarHBondContact O-OG 2.94Å; W541-S544 WeakPolarHBondContact CA-OG 3.37Å; W541-S544 PolarHBondContact O-N 3.14Å; W541-S544 PolarHBondContact O-OG 3.19Å; S544-H546 PolarHBondContact O-N 2.95Å; S544-F547 PolarHBondContact O-N 3.28Å; S544-R548 PolarHBondContact O-N 2.93Å; S544-A551 VanDerWaalsContact CB-CB 3.42Å; S544-Y580 WeakPolarHBondContact CB-OH 3.47Å; S544-Y580 PolarHBondContact O-OH 3.02Å; S544-Y580 WeakPolarHBondContact OG-CE1 3.15Å; S544-Y580 PolarHBondContact OG-OH 2.72Å |
| 545 | D | 86.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 43% | 0.433 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.1 | 177.5 | -66.7 | -25.6 | 0 | 0 | 0 | 112.1 | W541 F543 H577 Y580 | W541-D545 PolarHBondContact O-N 3.48Å; F543-D545 VanDerWaalsContact C-N 3.26Å; F543-D545 PolarHBondContact O-N 2.87Å; D545-H577 IonicContact OD1-ND1 3.94Å; D545-H577 IonicContact OD2-CE1 2.62Å; D545-H577 PolarHBondContact OD2-CE1 3.38Å; D545-H577 VanDerWaalsContact OD2-CE1 3.28Å; D545-H577 IonicContact OD2-ND1 3.69Å; D545-Y580 WeakPolarHBondContact CA-OH 3.4Å; D545-Y580 PolarHBondContact N-OH 3.38Å; D545-Y580 WeakPolarHBondContact OD1-CE2 3.4Å; D545-Y580 VanDerWaalsContact OD1-CZ 3.32Å; D545-Y580 PolarHBondContact OD1-OH 2.72Å |
| 546 | H | 86.3 | Confident | 90.1 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -40.9 | 178.5 | -70.3 | 97 | 0 | 0 | 0 | 113.3 | C502 W505 R507 C542 F543 S544 | C502-H546 PolarHBondContact O-CE1 3.08Å; C502-H546 PolarHBondContact O-ND1 3.24Å; C502-H546 VanDerWaalsContact O-ND1 3.16Å; W505-H546 PolarHBondContact O-NE2 2.88Å; R507-H546 VanDerWaalsContact CZ-O 3.26Å; R507-H546 PolarHBondContact N-CD2 3.34Å; R507-H546 PolarHBondContact NE-O 3.24Å; R507-H546 PolarHBondContact NH1-O 3.46Å; C542-H546 PolarHBondContact O-ND1 2.89Å; C542-H546 VanDerWaalsContact O-ND1 3.12Å; F543-H546 PolarHBondContact O-N 2.72Å; F543-H546 VanDerWaalsContact O-N 3.15Å; S544-H546 PolarHBondContact O-N 2.95Å |
| 547 | F | 89.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.022 | 18% | 0.175 | C | C | . | . | trans | -133.7 | 62 | -165.8 | -62 | -70.5 | 0 | 0 | 0 | 111.6 | R507 L510 E511 T514 F543 S544 D549 Q550 A551 | R507-F547 HydrophobicContact CG-CE1 3.93Å; R507-F547 HydrophobicContact CG-CZ 3.94Å; L510-F547 HydrophobicContact CB-CE2 3.65Å; L510-F547 HydrophobicContact CB-CZ 3.9Å; L510-F547 HydrophobicContact CD1-CE2 4.33Å; E511-F547 HydrophobicContact CG-CE1 3.98Å; E511-F547 HydrophobicContact CG-CZ 4.14Å; T514-F547 HydrophobicContact CG2-CB 4.23Å; T514-F547 HydrophobicContact CG2-CD1 3.72Å; T514-F547 HydrophobicContact CG2-CD2 4.05Å; T514-F547 HydrophobicContact CG2-CE1 4.06Å; T514-F547 HydrophobicContact CG2-CE2 4.36Å; T514-F547 HydrophobicContact CG2-CG 3.73Å; T514-F547 HydrophobicContact CG2-CZ 4.37Å; T514-F547 WeakPolarHBondContact OG1-CE1 3.44Å; T514-F547 VanDerWaalsContact OG1-CZ 3.27Å; T514-F547 WeakPolarHBondContact OG1-CZ 3.23Å; F543-F547 AromaticContact CD2-CD2 3.93Å; F543-F547 HydrophobicContact CD2-CD2 3.93Å; F543-F547 HydrophobicContact CE1-CB 3.99Å; F543-F547 HydrophobicContact CE2-CB 4.18Å; F543-F547 AromaticContact CE2-CD2 3.61Å; F543-F547 HydrophobicContact CE2-CD2 3.61Å; F543-F547 HydrophobicContact CE2-CE2 4.39Å; F543-F547 HydrophobicContact CE2-CG 4.19Å; F543-F547 HydrophobicContact CZ-CB 3.81Å; F543-F547 HydrophobicContact CZ-CD2 4.12Å; F543-F547 HydrophobicContact CZ-CG 4.24Å; F543-F547 PolarHBondContact O-N 3.31Å; S544-F547 PolarHBondContact O-N 3.28Å; F547-D549 PolarHBondContact O-N 3.43Å; F547-Q550 HydrophobicContact CB-CB 4.18Å; F547-Q550 PolarHBondContact O-N 2.69Å; F547-Q550 PolarHBondContact O-OE1 3.36Å; F547-A551 WeakPolarHBondContact O-CB 3.44Å; F547-A551 PolarHBondContact O-N 3.2Å | ||
| 548 | R | 87.1 | Confident | 89.6 | Confident | 91 Ų | 91 | 32.9 Ų | 32.9 | 34% | 0.343 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -51.9 | -47.2 | -174.5 | -166.7 | 177.5 | -175.7 | 112.9 | 0.7 | 113.3 | S544 Q550 A551 E552 L579 | S544-R548 PolarHBondContact O-N 2.93Å; R548-Q550 PolarHBondContact O-N 3.23Å; R548-A551 PolarHBondContact O-N 3.17Å; R548-E552 WeakPolarHBondContact O-CB 3.35Å; R548-E552 PolarHBondContact O-N 3.2Å; R548-L579 PolarHBondContact NH1-O 2.87Å; R548-L579 VanDerWaalsContact NH1-O 3.09Å; R548-L579 PolarHBondContact NH2-O 3.43Å |
| 549 | D | 87.5 | Confident | 89.5 | Confident | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.8 | -39.7 | -177.5 | -39.8 | -60.6 | 0 | 0 | 0 | 111.8 | T267 F547 E552 A553 | T267-D549 WeakPolarHBondContact CG2-OD1 2.99Å; T267-D549 WeakPolarHBondContact CG2-OD2 3.49Å; F547-D549 PolarHBondContact O-N 3.43Å; D549-E552 PolarHBondContact O-N 3.18Å; D549-A553 WeakPolarHBondContact O-CB 3.22Å; D549-A553 PolarHBondContact O-N 2.98Å |
| 550 | Q | 91 | Very high | 89 | Confident | 63 Ų | 63 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.9 | -34.1 | 177.4 | -63.5 | 78.5 | 8.2 | 0 | 0 | 111.6 | T514 Q518 F543 F547 R548 L554 | T514-Q550 HydrophobicContact CG2-CB 4.34Å; T514-Q550 HydrophobicContact CG2-CG 3.92Å; Q518-Q550 PolarHBondContact NE2-O 3.36Å; F543-Q550 HydrophobicContact CE1-CB 3.97Å; F543-Q550 HydrophobicContact CZ-CB 4.01Å; F547-Q550 HydrophobicContact CB-CB 4.18Å; F547-Q550 PolarHBondContact O-N 2.69Å; F547-Q550 PolarHBondContact O-OE1 3.36Å; R548-Q550 PolarHBondContact O-N 3.23Å; Q550-L554 VanDerWaalsContact O-CB 3.26Å; Q550-L554 WeakPolarHBondContact O-CB 3.29Å; Q550-L554 PolarHBondContact O-N 3.06Å |
| 551 | A | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.8 | -40.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y540 F543 S544 F547 R548 L554 F555 | Y540-A551 HydrophobicContact CE2-CB 4.17Å; Y540-A551 WeakPolarHBondContact CE2-O 3.15Å; Y540-A551 PolarHBondContact OH-O 2.83Å; F543-A551 HydrophobicContact CD1-CB 4.05Å; F543-A551 HydrophobicContact CE1-CB 4.27Å; S544-A551 VanDerWaalsContact CB-CB 3.42Å; F547-A551 WeakPolarHBondContact O-CB 3.44Å; F547-A551 PolarHBondContact O-N 3.2Å; R548-A551 PolarHBondContact O-N 3.17Å; A551-L554 WeakPolarHBondContact O-CB 3.47Å; A551-L554 PolarHBondContact O-N 2.7Å; A551-F555 WeakPolarHBondContact O-CB 3.48Å; A551-F555 PolarHBondContact O-N 3.43Å |
| 552 | E | 88.3 | Confident | 88.1 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -50.5 | 172.9 | 177.6 | 159.7 | -166.6 | 0 | 0 | 111.3 | R548 D549 L554 F555 Q556 L583 | R548-E552 WeakPolarHBondContact O-CB 3.35Å; R548-E552 PolarHBondContact O-N 3.2Å; D549-E552 PolarHBondContact O-N 3.18Å; E552-L554 PolarHBondContact O-N 2.8Å; E552-F555 WeakPolarHBondContact O-CB 3.18Å; E552-F555 PolarHBondContact O-N 2.95Å; E552-F555 VanDerWaalsContact O-N 3.11Å; E552-Q556 HydrophobicContact CG-CG 4.33Å; E552-Q556 WeakPolarHBondContact O-CB 3.5Å; E552-Q556 VanDerWaalsContact O-CG 3.28Å; E552-Q556 WeakPolarHBondContact O-CG 3.43Å; E552-Q556 PolarHBondContact O-N 3.45Å; E552-Q556 PolarHBondContact OE1-NE2 2.92Å; E552-L583 HydrophobicContact CB-CD2 3.8Å; E552-L583 HydrophobicContact CG-CD2 3.59Å; E552-L583 WeakPolarHBondContact OE2-CD2 3.37Å |
| 553 | A | 89.7 | Confident | 88 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -34.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D549 S557 | D549-A553 WeakPolarHBondContact O-CB 3.22Å; D549-A553 PolarHBondContact O-N 2.98Å; A553-S557 WeakPolarHBondContact O-CB 3.27Å; A553-S557 PolarHBondContact O-N 2.94Å; A553-S557 VanDerWaalsContact O-N 3.12Å |
| 554 | L | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -51.7 | 172.5 | 172.1 | 58.1 | 0 | 0 | 0 | 111.1 | Q518 I521 R522 Y540 Q550 A551 E552 Q556 S557 L558 | Q518-L554 HydrophobicContact CG-CB 3.99Å; Q518-L554 HydrophobicContact CG-CD2 4.13Å; Q518-L554 HydrophobicContact CG-CG 4.48Å; I521-L554 HydrophobicContact CB-CD2 4.09Å; I521-L554 HydrophobicContact CG2-CD2 3.77Å; R522-L554 HydrophobicContact CB-CD1 3.51Å; R522-L554 HydrophobicContact CG-CD1 3.67Å; Y540-L554 HydrophobicContact CD2-CD2 3.89Å; Y540-L554 HydrophobicContact CD2-CG 4.4Å; Y540-L554 HydrophobicContact CE2-CD2 4.2Å; Y540-L554 HydrophobicContact CE2-CG 4.33Å; Q550-L554 VanDerWaalsContact O-CB 3.26Å; Q550-L554 WeakPolarHBondContact O-CB 3.29Å; Q550-L554 PolarHBondContact O-N 3.06Å; A551-L554 WeakPolarHBondContact O-CB 3.47Å; A551-L554 PolarHBondContact O-N 2.7Å; E552-L554 PolarHBondContact O-N 2.8Å; L554-Q556 VanDerWaalsContact C-N 3.28Å; L554-Q556 PolarHBondContact O-N 2.89Å; L554-S557 WeakPolarHBondContact O-CA 3.44Å; L554-S557 WeakPolarHBondContact O-CB 3.28Å; L554-S557 PolarHBondContact O-N 3.03Å; L554-S557 PolarHBondContact O-OG 3.1Å; L554-L558 WeakPolarHBondContact O-CG 3.08Å; L554-L558 PolarHBondContact O-N 3.36Å |
| 555 | F | 90 | Very high | 87.1 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.4 | -46 | 176.9 | -175.1 | -97.2 | 0 | 0 | 0 | 111.7 | Y540 A551 E552 S557 L558 R563 L566 L567 | Y540-F555 HydrophobicContact CE2-CB 4.36Å; Y540-F555 WeakPolarHBondContact OH-CB 3.42Å; A551-F555 WeakPolarHBondContact O-CB 3.48Å; A551-F555 PolarHBondContact O-N 3.43Å; E552-F555 WeakPolarHBondContact O-CB 3.18Å; E552-F555 PolarHBondContact O-N 2.95Å; E552-F555 VanDerWaalsContact O-N 3.11Å; F555-S557 VanDerWaalsContact C-N 3.25Å; F555-S557 PolarHBondContact O-N 3.45Å; F555-L558 WeakPolarHBondContact O-CB 3.23Å; F555-L558 PolarHBondContact O-N 3.14Å; F555-L558 VanDerWaalsContact O-N 3.12Å; F555-R563 HydrophobicContact CD1-CG 4.39Å; F555-R563 HydrophobicContact CD2-CB 4.48Å; F555-R563 HydrophobicContact CD2-CG 4.27Å; F555-R563 HydrophobicContact CE1-CB 4.31Å; F555-R563 HydrophobicContact CE1-CG 4.13Å; F555-R563 HydrophobicContact CE2-CB 3.75Å; F555-R563 HydrophobicContact CE2-CG 3.99Å; F555-R563 HydrophobicContact CG-CG 4.46Å; F555-R563 HydrophobicContact CZ-CB 3.66Å; F555-R563 HydrophobicContact CZ-CG 3.92Å; F555-R563 PolarHBondContact O-NE 3.26Å; F555-R563 VanDerWaalsContact O-NE 3.11Å; F555-L566 HydrophobicContact CD2-CD1 4Å; F555-L566 HydrophobicContact CE2-CB 4.45Å; F555-L566 HydrophobicContact CE2-CD1 4.41Å; F555-L567 HydrophobicContact CE2-CD1 4.37Å; F555-L567 HydrophobicContact CE2-CG 4.19Å; F555-L567 HydrophobicContact CZ-CD1 3.89Å; F555-L567 HydrophobicContact CZ-CD2 4.45Å; F555-L567 HydrophobicContact CZ-CG 4.15Å |
| 556 | Q | 88.2 | Confident | 87 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 177.5 | -66.7 | -174.8 | 14.7 | 0 | 0 | 112.7 | E552 L554 R563 Q587 | E552-Q556 HydrophobicContact CG-CG 4.33Å; E552-Q556 WeakPolarHBondContact O-CB 3.5Å; E552-Q556 VanDerWaalsContact O-CG 3.28Å; E552-Q556 WeakPolarHBondContact O-CG 3.43Å; E552-Q556 PolarHBondContact O-N 3.45Å; E552-Q556 PolarHBondContact OE1-NE2 2.92Å; L554-Q556 VanDerWaalsContact C-N 3.28Å; L554-Q556 PolarHBondContact O-N 2.89Å; Q556-R563 PolarHBondContact O-NH2 3.07Å; Q556-Q587 VanDerWaalsContact CA-NE2 3.31Å; Q556-Q587 HydrophobicContact CG-CG 4.19Å; Q556-Q587 PolarHBondContact O-NE2 3.48Å |
| 557 | S | 90 | Very high | 86.6 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.9 | -9.2 | 175.7 | 75.4 | 0 | 0 | 0 | 0 | 115.7 | R522 A553 L554 F555 | R522-S557 PolarHBondContact NE-OG 2.99Å; A553-S557 WeakPolarHBondContact O-CB 3.27Å; A553-S557 PolarHBondContact O-N 2.94Å; A553-S557 VanDerWaalsContact O-N 3.12Å; L554-S557 WeakPolarHBondContact O-CA 3.44Å; L554-S557 WeakPolarHBondContact O-CB 3.28Å; L554-S557 PolarHBondContact O-N 3.03Å; L554-S557 PolarHBondContact O-OG 3.1Å; F555-S557 VanDerWaalsContact C-N 3.25Å; F555-S557 PolarHBondContact O-N 3.45Å |
| 558 | L | 88.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -87 | 155.5 | -178.9 | -65.7 | 169.2 | 0 | 0 | 0 | 112.5 | R522 L525 L554 F555 K562 R563 L566 | R522-L558 HydrophobicContact CG-CD2 4.29Å; L525-L558 HydrophobicContact CB-CD2 4.41Å; L525-L558 HydrophobicContact CD1-CD1 3.62Å; L525-L558 HydrophobicContact CD1-CD2 4.21Å; L554-L558 WeakPolarHBondContact O-CG 3.08Å; L554-L558 PolarHBondContact O-N 3.36Å; F555-L558 WeakPolarHBondContact O-CB 3.23Å; F555-L558 PolarHBondContact O-N 3.14Å; F555-L558 VanDerWaalsContact O-N 3.12Å; L558-K562 HydrophobicContact CB-CB 4.14Å; L558-K562 HydrophobicContact CD2-CD 4.15Å; L558-R563 HydrophobicContact CB-CG 4.04Å; L558-R563 PolarHBondContact O-NE 2.77Å; L558-R563 PolarHBondContact O-NH2 2.89Å; L558-L566 HydrophobicContact CD1-CD1 3.54Å |
| 559 | D | 87.1 | Confident | 83.7 | Confident | 97 Ų | 97 | 50.3 Ų | 50.3 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | trans | -64.7 | 149.4 | 170.5 | -47.6 | -69.6 | 0 | 0 | 0 | 111.7 | G561 K562 R563 | D559-G561 PolarHBondContact O-N 3.32Å; D559-G561 VanDerWaalsContact O-N 3.11Å; D559-K562 HydrophobicContact CB-CD 4.39Å; D559-K562 WeakPolarHBondContact O-CA 3.17Å; D559-K562 WeakPolarHBondContact O-CB 3.4Å; D559-K562 PolarHBondContact O-N 2.88Å; D559-K562 WeakPolarHBondContact OD2-CD 3.33Å; D559-K562 WeakPolarHBondContact OD2-CE 3.25Å; D559-K562 IonicContact OD2-NZ 2.64Å; D559-K562 PolarHBondContact OD2-NZ 3.42Å; D559-R563 PolarHBondContact O-N 3.19Å | ||
| 560 | V | 83.1 | Confident | 81.7 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 47% | 0.473 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -49.6 | -42.3 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | K562 R563 R564 | V560-K562 VanDerWaalsContact C-N 3.34Å; V560-K562 PolarHBondContact O-N 3.38Å; V560-R563 PolarHBondContact O-N 2.91Å; V560-R564 WeakPolarHBondContact O-CB 3.42Å; V560-R564 PolarHBondContact O-N 2.98Å |
| 561 | G | 81.1 | Confident | 79.1 | Confident | 42 Ų | 42 | 52 Ų | 52 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D559 N565 | D559-G561 PolarHBondContact O-N 3.32Å; D559-G561 VanDerWaalsContact O-N 3.11Å; G561-N565 PolarHBondContact O-N 3.17Å; G561-N565 PolarHBondContact O-ND2 3.5Å; G561-N565 PolarHBondContact O-OD1 3.22Å |
| 562 | K | 84.6 | Confident | 76.6 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.4 | -42.4 | 176.5 | -67.7 | 171.6 | -176 | 155.1 | 0 | 110.9 | L558 D559 V560 R564 N565 L566 | L558-K562 HydrophobicContact CB-CB 4.14Å; L558-K562 HydrophobicContact CD2-CD 4.15Å; D559-K562 HydrophobicContact CB-CD 4.39Å; D559-K562 WeakPolarHBondContact O-CA 3.17Å; D559-K562 WeakPolarHBondContact O-CB 3.4Å; D559-K562 PolarHBondContact O-N 2.88Å; D559-K562 WeakPolarHBondContact OD2-CD 3.33Å; D559-K562 WeakPolarHBondContact OD2-CE 3.25Å; D559-K562 IonicContact OD2-NZ 2.64Å; D559-K562 PolarHBondContact OD2-NZ 3.42Å; V560-K562 VanDerWaalsContact C-N 3.34Å; V560-K562 PolarHBondContact O-N 3.38Å; K562-R564 VanDerWaalsContact C-N 3.33Å; K562-R564 PolarHBondContact O-N 2.62Å; K562-N565 PolarHBondContact O-N 3.06Å; K562-N565 VanDerWaalsContact O-N 3.17Å; K562-L566 PolarHBondContact O-N 2.58Å |
| 563 | R | 87.7 | Confident | 73.9 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 171.5 | -63.6 | -176.3 | -157.5 | 152.1 | 1.3 | 111.4 | F555 Q556 L558 D559 V560 N565 L566 L567 Q587 | F555-R563 HydrophobicContact CD1-CG 4.39Å; F555-R563 HydrophobicContact CD2-CB 4.48Å; F555-R563 HydrophobicContact CD2-CG 4.27Å; F555-R563 HydrophobicContact CE1-CB 4.31Å; F555-R563 HydrophobicContact CE1-CG 4.13Å; F555-R563 HydrophobicContact CE2-CB 3.75Å; F555-R563 HydrophobicContact CE2-CG 3.99Å; F555-R563 HydrophobicContact CG-CG 4.46Å; F555-R563 HydrophobicContact CZ-CB 3.66Å; F555-R563 HydrophobicContact CZ-CG 3.92Å; F555-R563 PolarHBondContact O-NE 3.26Å; F555-R563 VanDerWaalsContact O-NE 3.11Å; Q556-R563 PolarHBondContact O-NH2 3.07Å; L558-R563 HydrophobicContact CB-CG 4.04Å; L558-R563 PolarHBondContact O-NE 2.77Å; L558-R563 PolarHBondContact O-NH2 2.89Å; D559-R563 PolarHBondContact O-N 3.19Å; V560-R563 PolarHBondContact O-N 2.91Å; R563-N565 VanDerWaalsContact C-N 3.31Å; R563-N565 PolarHBondContact O-N 3.46Å; R563-L566 WeakPolarHBondContact O-CB 3.45Å; R563-L566 PolarHBondContact O-N 3.36Å; R563-L567 WeakPolarHBondContact O-CG 3.47Å; R563-L567 PolarHBondContact O-N 3Å; R563-Q587 VanDerWaalsContact CZ-CD 3.42Å |
| 564 | R | 80.7 | Confident | 71.1 | Confident | 183 Ų | 183 | 61.4 Ų | 61.4 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.7 | -37.1 | 177.1 | -162.2 | -168.9 | 72.7 | 129.4 | 6.4 | 112.9 | V560 K562 G568 | V560-R564 WeakPolarHBondContact O-CB 3.42Å; V560-R564 PolarHBondContact O-N 2.98Å; K562-R564 VanDerWaalsContact C-N 3.33Å; K562-R564 PolarHBondContact O-N 2.62Å; R564-G568 PolarHBondContact O-N 2.66Å |
| 565 | N | 82.2 | Confident | 68.2 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.3 | -36.3 | 177.3 | -68.2 | -17.2 | 0 | 0 | 0 | 112.6 | G561 K562 R563 G568 | G561-N565 PolarHBondContact O-N 3.17Å; G561-N565 PolarHBondContact O-ND2 3.5Å; G561-N565 PolarHBondContact O-OD1 3.22Å; K562-N565 PolarHBondContact O-N 3.06Å; K562-N565 VanDerWaalsContact O-N 3.17Å; R563-N565 VanDerWaalsContact C-N 3.31Å; R563-N565 PolarHBondContact O-N 3.46Å; N565-G568 PolarHBondContact O-N 3.01Å |
| 566 | L | 84 | Confident | 65.5 | Low | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 170.2 | -87.3 | 167.4 | 0 | 0 | 0 | 111.5 | L525 R537 Y540 F555 L558 K562 R563 G568 | L525-L566 HydrophobicContact CD1-CD1 3.97Å; L525-L566 HydrophobicContact CD2-CD1 4.47Å; L525-L566 HydrophobicContact CD2-CD2 3.98Å; L525-L566 HydrophobicContact CD2-CG 4.19Å; R537-L566 HydrophobicContact CB-CD2 3.97Å; R537-L566 HydrophobicContact CG-CD2 3.69Å; R537-L566 HydrophobicContact CG-CG 4.19Å; Y540-L566 HydrophobicContact CD1-CD1 4.36Å; Y540-L566 HydrophobicContact CD1-CD2 3.54Å; Y540-L566 HydrophobicContact CD2-CD1 4.24Å; Y540-L566 HydrophobicContact CD2-CD2 4.41Å; Y540-L566 HydrophobicContact CE1-CD1 4.47Å; Y540-L566 HydrophobicContact CE1-CD2 4.26Å; Y540-L566 HydrophobicContact CE2-CD1 4.34Å; Y540-L566 HydrophobicContact CG-CD1 4.27Å; Y540-L566 HydrophobicContact CG-CD2 3.65Å; F555-L566 HydrophobicContact CD2-CD1 4Å; F555-L566 HydrophobicContact CE2-CB 4.45Å; F555-L566 HydrophobicContact CE2-CD1 4.41Å; L558-L566 HydrophobicContact CD1-CD1 3.54Å; K562-L566 PolarHBondContact O-N 2.58Å; R563-L566 WeakPolarHBondContact O-CB 3.45Å; R563-L566 PolarHBondContact O-N 3.36Å; L566-G568 PolarHBondContact O-N 3.34Å |
| 567 | L | 77.2 | Confident | 62.9 | Low | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.3 | -22 | 177.6 | -66.2 | 165.9 | 0 | 0 | 0 | 113.2 | F555 R563 I570 R584 | F555-L567 HydrophobicContact CE2-CD1 4.37Å; F555-L567 HydrophobicContact CE2-CG 4.19Å; F555-L567 HydrophobicContact CZ-CD1 3.89Å; F555-L567 HydrophobicContact CZ-CD2 4.45Å; F555-L567 HydrophobicContact CZ-CG 4.15Å; R563-L567 WeakPolarHBondContact O-CG 3.47Å; R563-L567 PolarHBondContact O-N 3Å; L567-I570 HydrophobicContact CD2-CD1 3.91Å; L567-R584 HydrophobicContact CD1-CG 3.86Å; L567-R584 HydrophobicContact CD2-CG 3.9Å |
| 568 | G | 62.7 | Low | 60.3 | Low | 28 Ų | 28 | 69.3 Ų | 69.3 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | R564 N565 L566 I570 T571 | R564-G568 PolarHBondContact O-N 2.66Å; N565-G568 PolarHBondContact O-N 3.01Å; L566-G568 PolarHBondContact O-N 3.34Å; G568-I570 VanDerWaalsContact C-N 3.27Å; G568-I570 PolarHBondContact O-N 2.69Å; G568-T571 PolarHBondContact O-N 2.77Å; G568-T571 VanDerWaalsContact O-N 3.16Å; G568-T571 PolarHBondContact O-OG1 3.38Å |
| 569 | D | 52.7 | Low | 57.8 | Low | 44 Ų | 44 | 75.2 Ų | 75.2 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -73.1 | -18.9 | -175.4 | -74.4 | -10.2 | 0 | 0 | 0 | 113.3 | R537 T571 Q572 S573 | R537-D569 IonicContact CZ-OD2 2.76Å; R537-D569 IonicContact NE-OD2 3.57Å; R537-D569 PolarHBondContact NE-OD2 3.24Å; R537-D569 IonicContact NH2-OD1 3.01Å; R537-D569 IonicContact NH2-OD2 3.18Å; R537-D569 PolarHBondContact NH2-OD2 2.92Å; D569-T571 PolarHBondContact O-N 3.27Å; D569-Q572 PolarHBondContact O-N 3.03Å; D569-S573 PolarHBondContact O-N 3.11Å; D569-S573 VanDerWaalsContact O-N 3.1Å; D569-S573 PolarHBondContact O-OG 3.28Å |
| 570 | I | 46 | Very low | 55.3 | Low | 69 Ų | 69 | 71.2 Ų | 71.2 | 35% | 0.354 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54.2 | -37.4 | 169.7 | -56.5 | 178.1 | 0 | 0 | 0 | 109.9 | W541 L567 G568 Q572 | W541-I570 HydrophobicContact CH2-CD1 3.73Å; W541-I570 HydrophobicContact CH2-CG1 4.25Å; W541-I570 HydrophobicContact CZ2-CD1 3.67Å; W541-I570 HydrophobicContact CZ2-CG1 3.72Å; L567-I570 HydrophobicContact CD2-CD1 3.91Å; G568-I570 VanDerWaalsContact C-N 3.27Å; G568-I570 PolarHBondContact O-N 2.69Å; I570-Q572 PolarHBondContact O-N 3.25Å |
| 571 | T | 36.9 | Very low | 53 | Low | 90 Ų | 90 | 70.7 Ų | 70.7 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6 | -179.5 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | G568 D569 | G568-T571 PolarHBondContact O-N 2.77Å; G568-T571 VanDerWaalsContact O-N 3.16Å; G568-T571 PolarHBondContact O-OG1 3.38Å; D569-T571 PolarHBondContact O-N 3.27Å |
| 572 | Q | 36.8 | Very low | 50.9 | Low | 161 Ų | 161 | 71.3 Ų | 71.3 | 75% | 0.752 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -12.2 | 179.7 | -59.3 | -168.8 | 25.3 | 0 | 0 | 113.7 | D569 I570 | D569-Q572 PolarHBondContact O-N 3.03Å; I570-Q572 PolarHBondContact O-N 3.25Å |
| 573 | S | 31.5 | Very low | 48.5 | Very low | 84 Ų | 84 | 68.9 Ų | 68.9 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -123.1 | 48.9 | -173.8 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | D569 S575 | D569-S573 PolarHBondContact O-N 3.11Å; D569-S573 VanDerWaalsContact O-N 3.1Å; D569-S573 PolarHBondContact O-OG 3.28Å; S573-S575 PolarHBondContact O-N 3.09Å |
| 574 | S | 30.5 | Very low | 46 | Very low | 51 Ų | 51 | 72.6 Ų | 72.6 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 86 | -169.4 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | Q101 | Q101-S574 PolarHBondContact NE2-OG 3Š|
| 575 | S | 31.7 | Very low | 43.8 | Very low | 71 Ų | 71 | 66.8 Ų | 66.8 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -161.1 | 7.1 | 155.4 | 51.8 | 0 | 0 | 0 | 0 | 117 | L312 S573 | L312-S575 WeakPolarHBondContact CD1-OG 3.48Å; S573-S575 PolarHBondContact O-N 3.09Å |
| 576 | S | 32.7 | Very low | 41.4 | Very low | 66 Ų | 66 | 66.4 Ų | 66.4 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -137.8 | -5.4 | -176 | -49.5 | 0 | 0 | 0 | 0 | 118 | L312 | L312-S576 WeakPolarHBondContact CD1-OG 3.33Š|
| 577 | H | 33.8 | Very low | 39 | Very low | 81 Ų | 81 | 69 Ų | 69 | 38% | 0.375 | 41% | 0.408 | S | S | . | . | trans | -131.3 | 42.8 | -166 | -66 | -64.8 | 0 | 0 | 0 | 115.1 | D545 L579 Y580 | D545-H577 IonicContact OD1-ND1 3.94Å; D545-H577 IonicContact OD2-CE1 2.62Å; D545-H577 PolarHBondContact OD2-CE1 3.38Å; D545-H577 VanDerWaalsContact OD2-CE1 3.28Å; D545-H577 IonicContact OD2-ND1 3.69Å; H577-L579 PolarHBondContact O-N 3.19Å; H577-Y580 HydrophobicContact CB-CD2 4.16Å | ||
| 578 | S | 34.3 | Very low | 36.7 | Very low | 104 Ų | 104 | 75.6 Ų | 75.6 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 2.2 | 179.2 | 45.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 579 | L | 35.9 | Very low | 35.3 | Very low | 131 Ų | 131 | 79 Ų | 79 | 69% | 0.686 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.6 | -176.6 | -64.2 | 178.1 | 0 | 0 | 0 | 115.4 | R548 H577 | R548-L579 PolarHBondContact NH1-O 2.87Å; R548-L579 VanDerWaalsContact NH1-O 3.09Å; R548-L579 PolarHBondContact NH2-O 3.43Å; H577-L579 PolarHBondContact O-N 3.19Å |
| 580 | Y | 36.2 | Very low | 34.5 | Very low | 13 Ų | 13 | 83 Ų | 83 | 5% | 0.051 | 48% | 0.484 | C | S | . | . | trans | -103 | -4.4 | -178.4 | -71.7 | -66.7 | 0 | 0 | 0 | 116.6 | W541 S544 D545 H577 A582 L583 | W541-Y580 HydrophobicContact CE3-CD1 4.3Å; W541-Y580 AromaticContact CE3-CD2 3.77Å; W541-Y580 HydrophobicContact CE3-CD2 3.77Å; W541-Y580 HydrophobicContact CE3-CE2 4.14Å; W541-Y580 AromaticContact CE3-CG 3.87Å; W541-Y580 HydrophobicContact CE3-CG 3.87Å; W541-Y580 HydrophobicContact CH2-CG 4.49Å; W541-Y580 AromaticContact CZ3-CD1 3.82Å; W541-Y580 HydrophobicContact CZ3-CD1 3.82Å; W541-Y580 AromaticContact CZ3-CD2 3.82Å; W541-Y580 HydrophobicContact CZ3-CD2 3.82Å; W541-Y580 AromaticContact CZ3-CG 3.44Å; W541-Y580 HydrophobicContact CZ3-CG 3.44Å; W541-Y580 VanDerWaalsContact CZ3-CG 3.44Å; S544-Y580 WeakPolarHBondContact CB-OH 3.47Å; S544-Y580 PolarHBondContact O-OH 3.02Å; S544-Y580 WeakPolarHBondContact OG-CE1 3.15Å; S544-Y580 PolarHBondContact OG-OH 2.72Å; D545-Y580 WeakPolarHBondContact CA-OH 3.4Å; D545-Y580 PolarHBondContact N-OH 3.38Å; D545-Y580 WeakPolarHBondContact OD1-CE2 3.4Å; D545-Y580 VanDerWaalsContact OD1-CZ 3.32Å; D545-Y580 PolarHBondContact OD1-OH 2.72Å; H577-Y580 HydrophobicContact CB-CD2 4.16Å; Y580-A582 PolarHBondContact O-N 2.97Å; Y580-A582 VanDerWaalsContact O-N 3.1Å; Y580-L583 HydrophobicContact CD1-CD1 4.02Å; Y580-L583 PolarHBondContact O-N 2.83Å; Y580-L583 VanDerWaalsContact O-N 3.14Å | ||
| 581 | S | 34.8 | Very low | 33.7 | Very low | 67 Ų | 67 | 89 Ų | 89 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -55 | -32.1 | 177.6 | -145.6 | 0 | 0 | 0 | 0 | 112.2 | L583 R584 | S581-L583 VanDerWaalsContact C-N 3.26Å; S581-L583 PolarHBondContact O-N 3.18Å; S581-L583 VanDerWaalsContact O-N 3.14Å; S581-R584 PolarHBondContact O-N 3.28Å |
| 582 | A | 35.6 | Very low | 33.4 | Very low | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y580 R584 T585 | Y580-A582 PolarHBondContact O-N 2.97Å; Y580-A582 VanDerWaalsContact O-N 3.1Å; A582-R584 VanDerWaalsContact C-N 3.33Å; A582-T585 PolarHBondContact O-OG1 2.98Å |
| 583 | L | 35.4 | Very low | 33.3 | Very low | 13 Ų | 13 | 86.7 Ų | 86.7 | 7% | 0.068 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -83.4 | -5.1 | 178.8 | -73.9 | 176.5 | 0 | 0 | 0 | 114 | E552 Y580 S581 | E552-L583 HydrophobicContact CB-CD2 3.8Å; E552-L583 HydrophobicContact CG-CD2 3.59Å; E552-L583 WeakPolarHBondContact OE2-CD2 3.37Å; Y580-L583 HydrophobicContact CD1-CD1 4.02Å; Y580-L583 PolarHBondContact O-N 2.83Å; Y580-L583 VanDerWaalsContact O-N 3.14Å; S581-L583 VanDerWaalsContact C-N 3.26Å; S581-L583 PolarHBondContact O-N 3.18Å; S581-L583 VanDerWaalsContact O-N 3.14Å |
| 584 | R | 33.8 | Very low | 33.5 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -80.6 | -22.9 | -177.6 | -113.1 | -179.8 | 179.2 | -175.3 | 1.2 | 114.5 | E64 L567 S581 A582 | E64-R584 IonicContact OE1-NH1 3.81Å; E64-R584 PolarHBondContact OE1-NH1 3.28Å; L567-R584 HydrophobicContact CD1-CG 3.86Å; L567-R584 HydrophobicContact CD2-CG 3.9Å; S581-R584 PolarHBondContact O-N 3.28Å; A582-R584 VanDerWaalsContact C-N 3.33Å |
| 585 | T | 34.1 | Very low | 33.8 | Very low | 61 Ų | 61 | 91.8 Ų | 91.8 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.3 | -164 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | Q29 A582 | Q29-T585 HydrophobicContact CB-CG2 4.08Å; Q29-T585 HydrophobicContact CG-CG2 3.73Å; A582-T585 PolarHBondContact O-OG1 2.98Å |
| 586 | S | 32 | Very low | 33.8 | Very low | 67 Ų | 67 | 94.3 Ų | 94.3 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | 9.3 | -165.2 | -52.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 587 | Q | 34.7 | Very low | 33.8 | Very low | 54 Ų | 54 | 100.2 Ų | 100.2 | 25% | 0.252 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -141 | 4.9 | -169.3 | -92.9 | -151.2 | -42.2 | 0 | 0 | 120.4 | Q556 R563 | Q556-Q587 VanDerWaalsContact CA-NE2 3.31Å; Q556-Q587 HydrophobicContact CG-CG 4.19Å; Q556-Q587 PolarHBondContact O-NE2 3.48Å; R563-Q587 VanDerWaalsContact CZ-CD 3.42Å |
| 588 | E | 29.4 | Very low | 33.8 | Very low | 160 Ų | 160 | 103.4 Ų | 103.4 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -117.2 | 59.3 | 170.1 | -70.1 | -168.5 | 152.1 | 0 | 0 | 111.6 | ||
| 589 | S | 32.2 | Very low | 33.6 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | trans | -137.2 | 32.1 | -179 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 590 | V | 35.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -143.9 | 129.4 | 164.1 | -128.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 591 | K | 29.8 | Very low | 33.1 | Very low | 194 Ų | 194 | 108.9 Ų | 108.9 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | trans | 85.2 | 63.6 | 159.4 | -52.7 | -175.6 | -174.9 | -179.8 | 0 | 118.4 | ||||
| 592 | S | 30.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | -58.2 | 137.4 | 125.5 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 593 | A | 34.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | trans | 174.6 | 87 | 142.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 594 | V | 36.5 | Very low | 32.3 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | 62.1 | 171.4 | 132.2 | -117.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 595 | P | 35.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | -127.3 | -164.5 | -112.9 | 45.7 | -27.8 | 0 | 0 | 0 | 114.4 | |||||
| 596 | V | 33.2 | Very low | 32 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | 175.2 | 119 | 129.3 | 149.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 597 | Y | 32.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 61.2 | 131.5 | 142.9 | -75.4 | -111 | 0 | 0 | 0 | 125.9 | ||||
| 598 | M | 33.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | trans | 71.3 | 97.9 | 150.7 | -60.8 | -61.8 | 166.9 | 0 | 0 | 118.9 | ||||
| 599 | N | 30.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 81.9 | 150.9 | 59.8 | -147.4 | 40.6 | 0 | 0 | 0 | 112.6 | |||||
| 600 | P | 34.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | -132.2 | 171.8 | -73.7 | 40 | -26.6 | 0 | 0 | 0 | 114 | |||||
| 601 | C | 27.1 | Very low | 31.1 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | -179.3 | 120.1 | 128.4 | -103.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 602 | R | 29.3 | Very low | 31 | Very low | 243 Ų | 243 | 131.7 Ų | 131.7 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | 70.6 | 85.2 | 125.1 | -154.3 | 179.9 | -155.2 | -170.1 | 6.3 | 120.3 | |||||
| 603 | A | 31.6 | Very low | 31.1 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | 179.8 | 108.7 | 112.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 604 | A | 28.2 | Very low | 30.9 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -92.3 | -179.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 605 | P | 31.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | cis | -140.8 | 176.6 | 43.8 | 34.9 | -11.7 | 0 | 0 | 0 | 117.2 | ||||
| 606 | P | 30 | Very low | 30.5 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -114.2 | -176.8 | -169.1 | 43.3 | -33.9 | 0 | 0 | 0 | 115.5 | ||||
| 607 | C | 27 | Very low | 30.3 | Very low | 126 Ų | 126 | 138 Ų | 138 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 10.2 | 108.6 | 150.9 | -177.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 608 | V | 30.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -156 | 143.3 | 147.2 | -126 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 609 | R | 27.5 | Very low | 30 | Very low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | cis | -140.2 | 153.4 | 21.9 | -75.3 | 177.3 | 163.8 | 155.6 | -6.7 | 113 | ||||
| 610 | S | 27.1 | Very low | 30.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -93.9 | 141 | 148.5 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 611 | T | 32.4 | Very low | 30 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | -175.3 | 119 | 153.5 | 41 | 0 | 0 | 0 | 0 | 106 | ||||
| 612 | S | 27.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | cis | 81.3 | 74.2 | 46.2 | 77.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 613 | E | 32.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -155.4 | 125.1 | 151.5 | -61.1 | -171.3 | 167.8 | 0 | 0 | 104 | ||||
| 614 | I | 30.1 | Very low | 30.3 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | 55 | 86.7 | 17.6 | -46.3 | -179 | 0 | 0 | 0 | 112.6 | ||||
| 615 | D | 32 | Very low | 30.5 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | -164.4 | 126 | 113 | -116.6 | -31.3 | 0 | 0 | 0 | 113.8 | |||||
| 616 | T | 31.3 | Very low | 30.6 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -134.6 | 49 | 157.8 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | A618 | T616-A618 PolarHBondContact O-N 3.43Å; T616-A618 VanDerWaalsContact O-N 3.14Å | ||
| 617 | G | 29.9 | Very low | 30.7 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 87 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 618 | A | 28.5 | Very low | 31 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 147.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111 | T616 | T616-A618 PolarHBondContact O-N 3.43Å; T616-A618 VanDerWaalsContact O-N 3.14Å | ||
| 619 | V | 31.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 93.6 | 167.9 | -167 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 620 | R | 35.1 | Very low | 31.4 | Very low | 218 Ų | 218 | 132.4 Ų | 132.4 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | -179 | 124.3 | 129.9 | -99.4 | 153.1 | -175.3 | -176.5 | 0.9 | 113 | |||||
| 621 | R | 30.6 | Very low | 31.6 | Very low | 220 Ų | 220 | 135.7 Ų | 135.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 60.1 | 109.5 | 160.2 | -59.9 | 177.6 | -73 | -158.2 | 0.7 | 115.6 | ||||
| 622 | A | 29.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | 64.1 | 127.4 | 54.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 623 | A | 30.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 96.4 | 116.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 624 | M | 33.4 | Very low | 32 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 66.6 | 146.4 | 146.6 | -69.2 | -173.3 | -178.6 | 0 | 0 | 120.1 | ||||
| 625 | K | 32.6 | Very low | 32.1 | Very low | 151 Ų | 151 | 134 Ų | 134 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | -172.3 | 141.5 | -26.1 | -130.3 | -176 | 177.3 | -178.1 | 0 | 106.6 | ||||
| 626 | Q | 33.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 62.7 | 155.5 | 152.8 | -68 | 165.2 | -19.7 | 0 | 0 | 118 | ||||
| 627 | A | 33.6 | Very low | 32.3 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | cis | -167.1 | 159.5 | -25 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 628 | S | 33 | Very low | 32.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 70.7 | 159.1 | 148.8 | 88.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 629 | V | 34.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | cis | -158.6 | 129.3 | -18 | 115 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 630 | S | 30.8 | Very low | 32.5 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 24.1 | 143.8 | 152.3 | 72.2 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 631 | K | 31.6 | Very low | 32.5 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | trans | 86.5 | 109.1 | 133.6 | -78.4 | 163.2 | -174.5 | -177.9 | 0 | 121.7 | ||||
| 632 | T | 34 | Very low | 32.6 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | -8.8 | 154.7 | 123.1 | 54.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 633 | P | 36.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | cis | -161.4 | -177.9 | 49.2 | 43.8 | -21.1 | 0 | 0 | 0 | 120.6 | ||||
| 634 | L | 30.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 75.7 | 154.9 | 137.1 | -89.2 | 165.7 | 0 | 0 | 0 | 123.4 | ||||
| 635 | L | 31.9 | Very low | 32.9 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | 92 | 132 | 145 | -84.8 | 155.1 | 0 | 0 | 0 | 121.1 | ||||
| 636 | S | 31.3 | Very low | 32.7 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | trans | 86.4 | 136 | 136.1 | -152.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 637 | Q | 35.8 | Very low | 32.6 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | cis | -166.7 | 162.5 | -12.7 | -117 | 170.9 | 15.3 | 0 | 0 | 110 | ||||
| 638 | N | 29.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | 69.1 | 121.1 | 137.1 | -71.1 | -10.6 | 0 | 0 | 0 | 123.8 | ||||
| 639 | M | 31.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 78 | 132 | 119 | -63.5 | -67.5 | -170 | 0 | 0 | 120.7 | |||||
| 640 | S | 32 | Very low | 31.9 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 76.3 | 146 | 130.1 | 69.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 641 | S | 34.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -169.5 | 156.1 | -11.2 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 642 | L | 32.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | trans | 68 | 164.1 | 145.8 | -95.9 | 91.4 | 0 | 0 | 0 | 118.1 | ||||
| 643 | P | 35.9 | Very low | 31.5 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | -139.7 | -146.2 | -116.2 | 33.1 | -6.5 | 0 | 0 | 0 | 113.3 | |||||
| 644 | R | 30.3 | Very low | 31.1 | Very low | 200 Ų | 200 | 125.1 Ų | 125.1 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 98 | 136.3 | 141.5 | -91.2 | 167.7 | -174.7 | -176.9 | 1.6 | 120.7 | ||||
| 645 | H | 33.2 | Very low | 31 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 64.5 | 116.1 | 155.9 | -55.6 | -49.3 | 0 | 0 | 0 | 117.8 | ||||
| 646 | A | 28.6 | Very low | 31 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | cis | 84.4 | 152.4 | 38 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 647 | K | 31.9 | Very low | 31 | Very low | 191 Ų | 191 | 128.1 Ų | 128.1 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | 79.4 | 112.2 | -178.4 | -57.8 | -179.6 | -178.7 | -178.5 | 0 | 112 | ||||
| 648 | S | 29 | Very low | 30.8 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | 65.3 | 143.6 | 78.6 | 89.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 649 | S | 29.1 | Very low | 30.9 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | cis | 179.8 | 164.6 | 9 | 27.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 650 | A | 28.9 | Very low | 31 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 59.4 | 113.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 651 | A | 27.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 74% | 0.74 | S | S | * | * | 79.9 | 155 | 85.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 652 | G | 29.4 | Very low | 31.2 | Very low | 59 Ų | 59 | 130.2 Ų | 130.2 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | 102 | 118.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 653 | N | 31.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | 71.9 | 138.9 | 66.1 | -71.5 | 4.3 | 0 | 0 | 0 | 111.3 | |||||
| 654 | N | 28.2 | Very low | 31.1 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | cis | -171.4 | 167.2 | -15.1 | -169.5 | 13.5 | 0 | 0 | 0 | 105.3 | ||||
| 655 | M | 29.5 | Very low | 31.3 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | 58.2 | 140.1 | 156.4 | -84.1 | 164.5 | 163.9 | 0 | 0 | 120.3 | ||||
| 656 | G | 30.4 | Very low | 31.5 | Very low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | trans | 158.3 | 92.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 657 | F | 31.9 | Very low | 31.8 | Very low | 208 Ų | 208 | 121.6 Ų | 121.6 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | trans | 41.3 | 99.1 | 144.9 | -60.6 | -84 | 0 | 0 | 0 | 118.1 | ||||
| 658 | G | 30.6 | Very low | 32.3 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | 122.8 | 168.9 | 93.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 659 | K | 32.8 | Very low | 32.8 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | cis | -172 | 132 | 7.3 | -118.8 | 174.5 | 172.9 | -154.4 | 0 | 107.7 | ||||
| 660 | Y | 34.1 | Very low | 32.9 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 65.7 | 151.5 | 169.5 | -30.4 | -62.2 | 0 | 0 | 0 | 116.1 | ||||
| 661 | A | 34.8 | Very low | 33.2 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -148.1 | 139.6 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 662 | L | 35.9 | Very low | 33.5 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 43.6 | 121.3 | 130.4 | -62.4 | 156.1 | 0 | 0 | 0 | 119.4 | ||||
| 663 | S | 32.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 68.9 | 134.7 | 72.4 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 664 | S | 34.6 | Very low | 34 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | cis | -148.3 | 157.4 | 32.8 | -162.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 665 | G | 33.9 | Very low | 34.4 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 83.7 | 148.5 | 57.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 666 | A | 36.9 | Very low | 34.6 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | cis | -166.3 | 144.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 667 | T | 34.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | 62.6 | 155 | 149 | 46.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 668 | P | 43 | Very low | 35.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -103.8 | -174.2 | -169.6 | 43.5 | -36.5 | 0 | 0 | 0 | 113.8 | ||||
| 669 | P | 38.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | -151.1 | 170.2 | 96.5 | 39.1 | -20.9 | 0 | 0 | 0 | 118.2 | |||||
| 670 | R | 31.2 | Very low | 35.5 | Very low | 228 Ų | 228 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -17.4 | 140.9 | 161.4 | -54.9 | 166.2 | 176 | 160.7 | -3.8 | 118.6 | ||||
| 671 | Y | 35.5 | Very low | 35.5 | Very low | 221 Ų | 221 | 130 Ų | 130 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | -168.2 | 132.3 | 105.8 | 46.3 | -105.8 | 0 | 0 | 0 | 114.7 | |||||
| 672 | D | 33.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -4 | 148.8 | 150.5 | -56 | -55.6 | 0 | 0 | 0 | 123.9 | ||||
| 673 | S | 36 | Very low | 35.7 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -171.5 | 114 | 134.7 | -81.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 674 | N | 35 | Very low | 35.9 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 24.4 | 145.6 | 135 | -65.9 | -16.4 | 0 | 0 | 0 | 121 | ||||
| 675 | A | 36.3 | Very low | 35.9 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | cis | -151.6 | -168.8 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 676 | S | 34.4 | Very low | 36 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -159.1 | 171.8 | 3.2 | -150.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 677 | A | 37 | Very low | 35.7 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | 23.5 | 140.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 678 | T | 36.8 | Very low | 35.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | -159.2 | 118.5 | 22.5 | -63.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 679 | I | 34.5 | Very low | 35 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | 71.3 | 131 | 82.5 | -66.8 | 172.2 | 0 | 0 | 0 | 116.5 | |||||
| 680 | R | 36.1 | Very low | 34.8 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | 73.3 | 145.8 | 168.2 | -71.1 | 156.8 | -170.6 | -136.9 | -0.8 | 118.4 | ||||
| 681 | S | 35.3 | Very low | 35 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -165.2 | 152.6 | -23.3 | -97.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 682 | P | 40.2 | Very low | 35 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -106.5 | 159.8 | -174.1 | 39.5 | -33.1 | 0 | 0 | 0 | 114.1 | ||||
| 683 | S | 34 | Very low | 35.1 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -163.7 | 143.2 | 151.3 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 684 | S | 36.1 | Very low | 34.7 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 59.5 | 138.3 | 150.5 | 55.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 685 | T | 35.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | cis | -177.1 | 156.8 | -2.6 | 23.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 686 | S | 34.2 | Very low | 33.8 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 55% | 0.552 | 73% | 0.729 | S | S | * | * | cis | -167.3 | 146.5 | -0.1 | -109.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 687 | K | 31.4 | Very low | 33.5 | Very low | 182 Ų | 182 | 124 Ų | 124 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 56.5 | 100.6 | 134.2 | -59.5 | 173.3 | -173.7 | -179.3 | 0 | 117.7 | ||||
| 688 | S | 30.3 | Very low | 33.4 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 88.5 | 133.7 | 72.7 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 689 | I | 33.4 | Very low | 32.9 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | 171.1 | 129.6 | 140.6 | -90.2 | 151.3 | 0 | 0 | 0 | 112.1 | ||||
| 690 | S | 33.5 | Very low | 33 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 88.2 | 133.3 | 158.2 | 77.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 691 | Q | 35.2 | Very low | 33 | Very low | 176 Ų | 176 | 118 Ų | 118 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | 85.7 | 139.2 | 165.3 | -47.3 | -154.4 | 23.3 | 0 | 0 | 118.8 | ||||
| 692 | P | 35.7 | Very low | 33.3 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 51% | 0.506 | 73% | 0.729 | S | S | . | * | trans | -132 | -88.8 | -134.6 | 34 | -11.1 | 0 | 0 | 0 | 115.4 | R695 S696 | P692-R695 VanDerWaalsContact CG-C 3.5Å; P692-S696 VanDerWaalsContact CG-CB 3.48Å | ||
| 693 | G | 36.2 | Very low | 33.3 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -74.1 | -106.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 694 | S | 26.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | S | Bend | cis | 44.3 | 109.5 | 20.9 | -58.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 695 | R | 33.2 | Very low | 33.5 | Very low | 241 Ų | 241 | 123.2 Ų | 123.2 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | 48.3 | 100.9 | 140.1 | -56.4 | 162.5 | 162.8 | -176.6 | -9 | 117.2 | P692 | P692-R695 VanDerWaalsContact CG-C 3.5Š| ||
| 696 | S | 20 | Very low | 33.4 | Very low | 80 Ų | 80 | 120 Ų | 120 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | -105.4 | 145.7 | 153.3 | 58.5 | 0 | 0 | 0 | 0 | 107.1 | P692 | P692-S696 VanDerWaalsContact CG-CB 3.48Š| ||
| 697 | S | 28.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | cis | -161.2 | 146.2 | 41.9 | 42.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 698 | S | 34.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -54 | 146 | 152.1 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 699 | P | 26.8 | Very low | 33.3 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -108.3 | 176.8 | 92.3 | 33.4 | -36.7 | 0 | 0 | 0 | 110.3 | |||||
| 700 | T | 34.9 | Very low | 33.2 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | 26.4 | 107.6 | 154.6 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 701 | S | 37.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 117.7 Ų | 117.7 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | cis | 168.8 | -170.4 | 31.1 | 51.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 702 | R | 40.4 | Very low | 32.8 | Very low | 227 Ų | 227 | 118.7 Ų | 118.7 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | 22.4 | 120.7 | 135.6 | -64.8 | 170.2 | 174.8 | -165.6 | -3.9 | 116.1 | ||||
| 703 | S | 40.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | cis | -178.4 | 135.5 | 28.4 | -96 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 704 | A | 37.8 | Very low | 32.3 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | 75.2 | 132.9 | 93 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 705 | V | 36.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | 57 | 117.7 | 150.4 | -173.7 | 0 | 0 | 0 | 0 | 116.5 | L707 | V705-L707 HydrophobicContact CG1-CD1 4.27Š| ||
| 706 | G | 34.3 | Very low | 32.5 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 146.2 | -172.9 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 707 | L | 34.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | 64.8 | 126.9 | 170.7 | -72.2 | 78.7 | 0 | 0 | 0 | 114.2 | V705 | V705-L707 HydrophobicContact CG1-CD1 4.27Š| ||
| 708 | A | 30.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 59.8 | 132.3 | 74.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 709 | S | 27.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | -168.6 | 176.9 | 6.1 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 710 | L | 32.1 | Very low | 32.8 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 69.4 | 152.6 | 154.8 | -67.7 | 150.8 | 0 | 0 | 0 | 120.5 | ||||
| 711 | G | 30.4 | Very low | 32.5 | Very low | 65 Ų | 65 | 140.6 Ų | 140.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | 105.3 | 61.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 712 | H | 29.7 | Very low | 31.9 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 91% | 0.912 | 79% | 0.785 | S | S | * | * | 45.7 | 110.5 | 100.3 | -83 | 74.9 | 0 | 0 | 0 | 117.4 | |||||
| 713 | G | 32.1 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -176.3 | 102.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 714 | R | 28.7 | Very low | 30.5 | Very low | 245 Ų | 245 | 137.1 Ų | 137.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 139.5 | -178.8 | -64.6 | 176.8 | 177.6 | -178.8 | -0.7 | 111.4 | ||||
| 715 | F | 33.6 | Very low | 30.1 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -157.5 | 157.7 | 137.6 | -113.6 | -77.5 | 0 | 0 | 0 | 111.4 | ||||
| 716 | N | 30.9 | Very low | 29.6 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -44.4 | 151.8 | -179.4 | -57.6 | -15.8 | 0 | 0 | 0 | 113.8 | ||||
| 717 | G | 28.1 | Very low | 29.2 | Very low | 58 Ų | 58 | 148.9 Ų | 148.9 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | cis | 170.3 | -176.5 | 8.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 718 | Y | 33.5 | Very low | 29.2 | Very low | 245 Ų | 245 | 146.6 Ų | 146.6 | 96% | 0.961 | 79% | 0.793 | S | S | * | * | trans | 71.9 | 81.3 | -176.1 | -48.7 | -72.3 | 0 | 0 | 0 | 116.5 | ||||
| 719 | R | 25.6 | Very low | 29.2 | Very low | 222 Ų | 222 | 148 Ų | 148 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -143.5 | 104.9 | 152.5 | -169.1 | -176.5 | -166.2 | -164.7 | 5.5 | 111 | ||||
| 720 | S | 29.2 | Very low | 29.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -134.7 | 123 | 158.1 | -56.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 721 | Q | 27.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | 72.5 | 117.2 | 48.8 | -66.3 | -161.1 | -4 | 0 | 0 | 114.7 | ||||
| 722 | T | 25.4 | Very low | 29.2 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 67.2 | 135.5 | 132.8 | 61.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 723 | N | 25.7 | Very low | 29.3 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | 50.8 | 127.4 | 128.3 | -56.3 | -12.6 | 0 | 0 | 0 | 120.9 | |||||
| 724 | S | 27.2 | Very low | 29.3 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 27.2 | 109.7 | 121 | 151.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 725 | R | 28.3 | Very low | 29.4 | Very low | 233 Ų | 233 | 146.5 Ų | 146.5 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | -176.8 | 161.1 | 118.7 | -106.2 | 161.2 | 179.1 | 163.2 | -1.6 | 114.8 | |||||
| 726 | D | 26.4 | Very low | 29 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -60.9 | 170.8 | 168.6 | -51.9 | -88.7 | 0 | 0 | 0 | 115 | ||||
| 727 | N | 26.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 87.2 | 134.9 | 149.1 | -70.3 | -34.4 | 0 | 0 | 0 | 120.9 | ||||
| 728 | S | 33.3 | Very low | 28.8 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -65.5 | 175.8 | 177 | -40.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 729 | P | 31.7 | Very low | 29 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | -150.3 | 134.6 | 95.6 | 35.2 | -16.8 | 0 | 0 | 0 | 117.7 | |||||
| 730 | S | 26.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | 31.1 | 114.8 | 127.9 | -169.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 731 | S | 32 | Very low | 29 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -144.5 | 101.4 | 133.8 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 732 | K | 30.2 | Very low | 29.1 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 62.5 | 92.7 | 100.3 | -67.8 | 174.2 | -178.9 | 176.9 | 0 | 112.6 | |||||
| 733 | T | 32.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 66.3 | 157.9 | 84.3 | 62 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 734 | P | 32.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | cis | -139 | -169.3 | -9.9 | 26 | -0.7 | 0 | 0 | 0 | 115 | ||||
| 735 | R | 30.2 | Very low | 29.4 | Very low | 222 Ų | 222 | 147.3 Ų | 147.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 108.5 | 117 | 153.8 | -58.2 | 176.2 | -137.7 | -118.7 | 2.5 | 113.5 | ||||
| 736 | R | 25 | Very low | 29.5 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | 69.1 | 90.1 | 59.1 | -82 | -166.7 | 171.1 | -123.5 | 4.7 | 113.3 | |||||
| 737 | L | 29 | Very low | 29.5 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | trans | 177.1 | 134.6 | 141.4 | -92.3 | 144.7 | 0 | 0 | 0 | 103.2 | ||||
| 738 | G | 27 | Very low | 29.5 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 143.4 | 107.3 | 14.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 739 | T | 37 | Very low | 29.2 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 148.2 | 173.5 | 46 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 740 | P | 29.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -130.4 | 151 | 96.8 | 10.2 | 12 | 0 | 0 | 0 | 111.7 | |||||
| 741 | D | 25.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | cis | 83 | 95.7 | 47.9 | -151.8 | 32.3 | 0 | 0 | 0 | 113.7 | ||||
| 742 | R | 29.7 | Very low | 28.5 | Very low | 228 Ų | 228 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 58.3 | 103.3 | 125.9 | -166.6 | -176.1 | -165 | -169.7 | 4.3 | 120.8 | |||||
| 743 | S | 26.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -160.7 | 141.2 | 141.8 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 744 | G | 28.8 | Very low | 27.8 | Very low | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | cis | 119.4 | 58.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 745 | Y | 29.2 | Very low | 27.5 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -147.2 | 126.6 | 158 | -69.3 | -76.6 | 0 | 0 | 0 | 107.3 | ||||
| 746 | S | 30.8 | Very low | 27.3 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | 95.4 | 140.3 | 31.6 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 747 | I | 27 | Very low | 27.4 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 92% | 0.923 | 77% | 0.77 | S | S | * | * | trans | 77.1 | 130.2 | 178.4 | -62.5 | 158.8 | 0 | 0 | 0 | 113.9 | ||||
| 748 | G | 25.3 | Very low | 27.3 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | -167.9 | 166.8 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 749 | R | 28.3 | Very low | 27.2 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | trans | -69.4 | 149.7 | 171 | -63.1 | 172.4 | -179.8 | 177 | -2.3 | 110.1 | ||||
| 750 | H | 25.1 | Very low | 26.6 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | 160.6 | 136.1 | 111.2 | -92.6 | -87 | 0 | 0 | 0 | 111.7 | |||||
| 751 | F | 24.7 | Very low | 26.5 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.772 | 74% | 0.743 | S | S | * | * | trans | 65.5 | 114.8 | 146.8 | -81.8 | -118.9 | 0 | 0 | 0 | 118.1 | ||||
| 752 | V | 24.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | 98 | 105.4 | 76.5 | 160.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 753 | D | 24.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 70.3 | 156.5 | 140.7 | -148.3 | 4.1 | 0 | 0 | 0 | 122 | ||||
| 754 | S | 24.8 | Very low | 26.7 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | trans | 74.1 | 90.3 | 164.4 | -69.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 755 | S | 25.3 | Very low | 26.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | 46.2 | 136.9 | 108.7 | -58.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 756 | K | 26.8 | Very low | 27.2 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 92.2 | 112.5 | 150.5 | -74.7 | -172.8 | 173 | -165.2 | 0 | 122.1 | ||||
| 757 | E | 26.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | 80.8 | 143.9 | 121 | -75.2 | 173.3 | -152.6 | 0 | 0 | 124.3 | |||||
| 758 | L | 26.4 | Very low | 27.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 76.7 | 98.5 | 148.7 | -69.7 | 159.5 | 0 | 0 | 0 | 122.5 | ||||
| 759 | E | 25 | Very low | 27.8 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 73.9 | 141.5 | 109.1 | -82.9 | -165.3 | 162.1 | 0 | 0 | 126.4 | |||||
| 760 | F | 25.1 | Very low | 27.9 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | 80.3 | 102.3 | 145.6 | -91.2 | -117.7 | 0 | 0 | 0 | 124 | ||||
| 761 | S | 27.7 | Very low | 28.3 | Very low | 80 Ų | 80 | 148 Ų | 148 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | 94.4 | 126.9 | 104.4 | -74.7 | 0 | 0 | 0 | 0 | 126 | |||||
| 762 | F | 27.1 | Very low | 28.7 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 125.8 | 137.5 | -89.7 | -100.5 | 0 | 0 | 0 | 124.9 | ||||
| 763 | G | 27.6 | Very low | 28.9 | Very low | 81 Ų | 81 | 147.1 Ų | 147.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | 124.8 | 129.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 764 | G | 29.7 | Very low | 29.1 | Very low | 84 Ų | 84 | 148.1 Ų | 148.1 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 134.4 | 131.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 765 | T | 30.8 | Very low | 29.6 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -109.8 | 170.3 | -168.5 | 40.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 766 | P | 38.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -120.3 | 167.1 | -166.5 | 42.4 | -31.7 | 0 | 0 | 0 | 117.4 | ||||
| 767 | I | 35.4 | Very low | 30 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -142.8 | 113.9 | 174 | -62.3 | -174.6 | 0 | 0 | 0 | 115.4 | ||||
| 768 | R | 29 | Very low | 30.3 | Very low | 249 Ų | 249 | 149.7 Ų | 149.7 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | 44 | 130.6 | 129 | -142.5 | -179.6 | -153.5 | 178.9 | 6.5 | 122.5 | |||||
| 769 | G | 31.4 | Very low | 30.4 | Very low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -170.5 | -6.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 770 | R | 30.5 | Very low | 30.5 | Very low | 235 Ų | 235 | 149.2 Ų | 149.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 28.2 | 117.6 | 160 | -166.7 | -167.2 | -151.5 | -155.9 | 8.7 | 121.7 | ||||
| 771 | R | 33.8 | Very low | 30.7 | Very low | 242 Ų | 242 | 146.4 Ų | 146.4 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | -175.4 | 153.4 | 125.1 | -102.3 | 171.6 | -156.2 | -139 | 7.2 | 114.6 | |||||
| 772 | K | 31.5 | Very low | 30.7 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -69.1 | 158.4 | 174 | -62 | 168.5 | 169.2 | -177.9 | 0 | 111.3 | ||||
| 773 | G | 29 | Very low | 30.7 | Very low | 62 Ų | 62 | 144.9 Ų | 144.9 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | cis | 141.7 | 125.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 774 | D | 30 | Very low | 30.6 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -174.3 | 106.8 | 168.7 | -91 | -32.1 | 0 | 0 | 0 | 107.1 | ||||
| 775 | D | 34.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -122.7 | 118.7 | -171.3 | -93.7 | -43.5 | 0 | 0 | 0 | 114.5 | ||||
| 776 | F | 32.4 | Very low | 30.2 | Very low | 211 Ų | 211 | 151.1 Ų | 151.1 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -92.7 | 143.7 | 154.4 | -94.2 | -104.3 | 0 | 0 | 0 | 108.6 | ||||
| 777 | G | 29.2 | Very low | 29.6 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -77.7 | 146 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 778 | S | 31.5 | Very low | 29.3 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -170.8 | 172.4 | 141.2 | -80.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 779 | E | 29.5 | Very low | 29.2 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | 81.3 | 111.6 | 156 | -46.3 | -146.3 | 109.7 | 0 | 0 | 120.3 | ||||
| 780 | S | 27.8 | Very low | 29 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | 48 | 111.2 | 111.1 | -42.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 781 | S | 28.7 | Very low | 28.9 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 41.4 | 97.1 | 133.1 | 60.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 782 | S | 27 | Very low | 29.2 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 175.8 | 170 | 119.2 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 783 | L | 26.8 | Very low | 29.8 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 64 | 163.8 | -55.3 | 174.6 | 0 | 0 | 0 | 117.9 | ||||
| 784 | C | 27 | Very low | 30.6 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | S | Bend | -137.2 | 107.2 | 127.5 | -90 | 0 | 0 | 0 | 0 | 107.9 | |||
| 785 | S | 25.6 | Very low | 32 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -62.2 | 146.1 | -163.2 | -49.1 | 0 | 0 | 0 | 0 | 114.2 | A787 | S785-A787 PolarHBondContact O-N 3.01Š| ||
| 786 | E | 25.5 | Very low | 34.1 | Very low | 210 Ų | 210 | 125.7 Ų | 125.7 | 98% | 0.981 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -69.8 | 54.4 | 166.7 | -64.3 | 176.4 | 116 | 0 | 0 | 111.5 | ||
| 787 | A | 25.2 | Very low | 36.4 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | trans | -157.4 | 50.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S785 | S785-A787 PolarHBondContact O-N 3.01Š| ||
| 788 | S | 29.7 | Very low | 39.1 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 66% | 0.664 | S | S | * | * | trans | -159 | 4 | 166.8 | -90.8 | 0 | 0 | 0 | 0 | 117.5 | R790 | S788-R790 PolarHBondContact O-N 3.33Š| ||
| 789 | C | 27.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | trans | -80.8 | 10 | 172.6 | -65.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 790 | R | 26.8 | Very low | 44.6 | Very low | 247 Ų | 247 | 104.6 Ų | 104.6 | 93% | 0.932 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -96.7 | 109.3 | 165.7 | -69.3 | -173.6 | 177.3 | -153.4 | 0.3 | 108 | S788 | S788-R790 PolarHBondContact O-N 3.33Š|
| 791 | G | 29.4 | Very low | 47.6 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | trans | 110.1 | 72.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D793 | G791-D793 PolarHBondContact O-N 3.33Š| ||
| 792 | Y | 39.7 | Very low | 50.6 | Low | 156 Ų | 156 | 103.7 Ų | 103.7 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -70.9 | -9.8 | 165.6 | -84.3 | -84.3 | 0 | 0 | 0 | 112.8 | N794 | Y792-N794 VanDerWaalsContact C-N 3.31Å; Y792-N794 PolarHBondContact O-N 2.93Å |
| 793 | D | 42.6 | Very low | 53.6 | Low | 131 Ų | 131 | 104.5 Ų | 104.5 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -70.4 | -22.6 | -171.9 | -49.5 | -67.6 | 0 | 0 | 0 | 113.8 | G791 | G791-D793 PolarHBondContact O-N 3.33Š|
| 794 | N | 45.9 | Very low | 56.7 | Low | 158 Ų | 158 | 97.3 Ų | 97.3 | 85% | 0.845 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -108.1 | 26.7 | -173.3 | -80.1 | -34.5 | 0 | 0 | 0 | 115.5 | Y792 | Y792-N794 VanDerWaalsContact C-N 3.31Å; Y792-N794 PolarHBondContact O-N 2.93Å |
| 795 | C | 60.2 | Low | 59.8 | Low | 32 Ų | 32 | 93.6 Ų | 93.6 | 22% | 0.216 | 50% | 0.503 | C | S | . | . | trans | -69.5 | 127.6 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 113.1 | V797 V800 L822 R827 | C795-V797 PolarHBondContact O-N 3.48Å; C795-V800 WeakPolarHBondContact SG-CG2 3.47Å; C795-L822 HydrophobicContact CB-CD2 4.2Å; C795-R827 PolarHBondContact O-NH1 3.2Å; C795-R827 PolarHBondContact O-NH2 3.42Å | ||
| 796 | D | 77.9 | Confident | 62.9 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | trans | -76.7 | 110.1 | 164 | -175.1 | -0.8 | 0 | 0 | 0 | 110.2 | S798 D799 V800 | D796-S798 PolarHBondContact O-N 3.03Å; D796-S798 WeakPolarHBondContact OD1-CB 3.38Å; D796-S798 PolarHBondContact OD1-N 3.16Å; D796-S798 PolarHBondContact OD1-OG 3.46Å; D796-S798 VanDerWaalsContact OD1-OG 3.09Å; D796-D799 PolarHBondContact O-N 2.9Å; D796-V800 PolarHBondContact O-N 3.17Å | ||
| 797 | V | 81.8 | Confident | 66 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.1 | -34 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | C795 D799 V800 L801 L822 L829 E833 | C795-V797 PolarHBondContact O-N 3.48Å; V797-D799 VanDerWaalsContact C-N 3.3Å; V797-D799 PolarHBondContact O-N 3.15Å; V797-V800 PolarHBondContact O-N 3.47Å; V797-L801 HydrophobicContact CG1-CD1 3.86Å; V797-L801 HydrophobicContact CG1-CG 4.12Å; V797-L801 WeakPolarHBondContact O-CB 3.43Å; V797-L801 VanDerWaalsContact O-CG 3.29Å; V797-L801 WeakPolarHBondContact O-CG 3.46Å; V797-L801 PolarHBondContact O-N 3.37Å; V797-L822 HydrophobicContact CG2-CD1 4.48Å; V797-L829 HydrophobicContact CB-CD2 4.38Å; V797-L829 HydrophobicContact CG1-CD2 3.79Å; V797-L829 HydrophobicContact CG2-CD2 3.67Å; V797-E833 HydrophobicContact CB-CG 4.45Å; V797-E833 HydrophobicContact CG1-CB 4.24Å; V797-E833 HydrophobicContact CG1-CG 4.02Å |
| 798 | S | 84.7 | Confident | 69.1 | Low | 46 Ų | 46 | 84.6 Ų | 84.6 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | -179.1 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | D796 R802 | D796-S798 PolarHBondContact O-N 3.03Å; D796-S798 WeakPolarHBondContact OD1-CB 3.38Å; D796-S798 PolarHBondContact OD1-N 3.16Å; D796-S798 PolarHBondContact OD1-OG 3.46Å; D796-S798 VanDerWaalsContact OD1-OG 3.09Å; S798-R802 WeakPolarHBondContact O-CB 3.33Å; S798-R802 PolarHBondContact O-N 3.1Å |
| 799 | D | 87.2 | Confident | 72.1 | Confident | 72 Ų | 72 | 84.4 Ų | 84.4 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -79.4 | -30.6 | 179.1 | -84.5 | -11.9 | 0 | 0 | 0 | 113 | D796 V797 R802 R803 | D796-D799 PolarHBondContact O-N 2.9Å; V797-D799 VanDerWaalsContact C-N 3.3Å; V797-D799 PolarHBondContact O-N 3.15Å; D799-R802 PolarHBondContact O-N 2.97Å; D799-R802 IonicContact OD1-CZ 3.42Å; D799-R802 IonicContact OD1-NE 3.62Å; D799-R802 PolarHBondContact OD1-NE 3.24Å; D799-R802 IonicContact OD1-NH2 3.04Å; D799-R802 PolarHBondContact OD1-NH2 3.1Å; D799-R803 WeakPolarHBondContact O-CB 3.47Å; D799-R803 VanDerWaalsContact O-CG 3.26Å; D799-R803 WeakPolarHBondContact O-CG 3.31Å; D799-R803 PolarHBondContact O-N 2.97Å |
| 800 | V | 89.9 | Confident | 75.2 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | C795 D796 V797 R802 R803 C804 V818 L819 L822 | C795-V800 WeakPolarHBondContact SG-CG2 3.47Å; D796-V800 PolarHBondContact O-N 3.17Å; V797-V800 PolarHBondContact O-N 3.47Å; V800-R802 VanDerWaalsContact C-N 3.34Å; V800-R802 PolarHBondContact O-N 2.9Å; V800-R803 PolarHBondContact O-N 3.48Å; V800-C804 PolarHBondContact O-N 2.93Å; V800-C804 PolarHBondContact O-SG 2.96Å; V800-V818 HydrophobicContact CG1-CB 4.35Å; V800-V818 HydrophobicContact CG1-CG1 4.17Å; V800-V818 HydrophobicContact CG2-CG1 3.81Å; V800-L819 HydrophobicContact CG1-CB 4.15Å; V800-L819 HydrophobicContact CG1-CD1 4.19Å; V800-L822 HydrophobicContact CG2-CD1 4.46Å |
| 801 | L | 90.7 | Very high | 78.3 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 175.8 | -67.5 | 175.3 | 0 | 0 | 0 | 111.8 | V797 C804 A805 L819 K836 T837 L840 | V797-L801 HydrophobicContact CG1-CD1 3.86Å; V797-L801 HydrophobicContact CG1-CG 4.12Å; V797-L801 WeakPolarHBondContact O-CB 3.43Å; V797-L801 VanDerWaalsContact O-CG 3.29Å; V797-L801 WeakPolarHBondContact O-CG 3.46Å; V797-L801 PolarHBondContact O-N 3.37Å; L801-C804 WeakPolarHBondContact O-CB 3.42Å; L801-C804 PolarHBondContact O-N 3.33Å; L801-A805 PolarHBondContact O-N 3.42Å; L801-L819 HydrophobicContact CD2-CD1 4.39Å; L801-L819 HydrophobicContact CD2-CD2 4.47Å; L801-K836 HydrophobicContact CD1-CB 3.92Å; L801-T837 HydrophobicContact CD2-CG2 4.47Å; L801-L840 HydrophobicContact CB-CD2 4.45Å; L801-L840 HydrophobicContact CD2-CD2 3.51Å |
| 802 | R | 90.6 | Very high | 81.4 | Confident | 170 Ų | 170 | 72.3 Ų | 72.3 | 64% | 0.642 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 173.6 | -166.7 | -164.1 | -52.1 | -88.1 | 1.5 | 111.7 | S798 D799 V800 C804 A805 | S798-R802 WeakPolarHBondContact O-CB 3.33Å; S798-R802 PolarHBondContact O-N 3.1Å; D799-R802 PolarHBondContact O-N 2.97Å; D799-R802 IonicContact OD1-CZ 3.42Å; D799-R802 IonicContact OD1-NE 3.62Å; D799-R802 PolarHBondContact OD1-NE 3.24Å; D799-R802 IonicContact OD1-NH2 3.04Å; D799-R802 PolarHBondContact OD1-NH2 3.1Å; V800-R802 VanDerWaalsContact C-N 3.34Å; V800-R802 PolarHBondContact O-N 2.9Å; R802-C804 VanDerWaalsContact C-N 3.35Å; R802-C804 PolarHBondContact O-N 3.47Å; R802-A805 WeakPolarHBondContact O-CB 3.39Å; R802-A805 PolarHBondContact O-N 2.94Å |
| 803 | R | 91.1 | Very high | 83.9 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 48% | 0.475 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.8 | -34 | 178.4 | -70.5 | 169.9 | 63.9 | 173.4 | 0.5 | 112.5 | D799 V800 A805 S806 A815 | D799-R803 WeakPolarHBondContact O-CB 3.47Å; D799-R803 VanDerWaalsContact O-CG 3.26Å; D799-R803 WeakPolarHBondContact O-CG 3.31Å; D799-R803 PolarHBondContact O-N 2.97Å; V800-R803 PolarHBondContact O-N 3.48Å; R803-A805 PolarHBondContact O-N 3.03Å; R803-S806 VanDerWaalsContact O-CB 3.27Å; R803-S806 WeakPolarHBondContact O-CB 3.49Å; R803-S806 PolarHBondContact O-N 3.23Å; R803-A815 HydrophobicContact CB-CB 3.58Å |
| 804 | C | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -19.5 | 170.9 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | V800 L801 R802 R812 A815 L840 | V800-C804 PolarHBondContact O-N 2.93Å; V800-C804 PolarHBondContact O-SG 2.96Å; L801-C804 WeakPolarHBondContact O-CB 3.42Å; L801-C804 PolarHBondContact O-N 3.33Å; R802-C804 VanDerWaalsContact C-N 3.35Å; R802-C804 PolarHBondContact O-N 3.47Å; C804-R812 WeakPolarHBondContact O-CD 3.26Å; C804-R812 VanDerWaalsContact O-CG 3.31Å; C804-R812 WeakPolarHBondContact O-CG 3.02Å; C804-A815 HydrophobicContact CB-CB 4.41Å; C804-A815 VanDerWaalsContact SG-C 3.6Å; C804-A815 WeakPolarHBondContact SG-CB 3.47Å; C804-L840 HydrophobicContact CB-CD1 4.03Å; C804-L840 HydrophobicContact CB-CD2 3.48Å; C804-L840 VanDerWaalsContact CB-CD2 3.48Å; C804-L840 HydrophobicContact CB-CG 4.29Å |
| 805 | A | 91.1 | Very high | 88.5 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 7.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L801 R802 R803 L840 | L801-A805 PolarHBondContact O-N 3.42Å; R802-A805 WeakPolarHBondContact O-CB 3.39Å; R802-A805 PolarHBondContact O-N 2.94Å; R803-A805 PolarHBondContact O-N 3.03Å; A805-L840 HydrophobicContact CB-CD1 4.1Å |
| 806 | S | 91.6 | Very high | 90 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | trans | -60.2 | 148.1 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | R803 V808 E811 R812 | R803-S806 VanDerWaalsContact O-CB 3.27Å; R803-S806 WeakPolarHBondContact O-CB 3.49Å; R803-S806 PolarHBondContact O-N 3.23Å; S806-V808 PolarHBondContact O-N 2.97Å; S806-V808 PolarHBondContact OG-N 3.4Å; S806-V808 VanDerWaalsContact OG-N 3.12Å; S806-E811 VanDerWaalsContact CB-OE2 3.22Å; S806-E811 WeakPolarHBondContact CB-OE2 3.43Å; S806-E811 PolarHBondContact OG-OE2 2.86Å; S806-R812 WeakPolarHBondContact O-CD 3.29Å; S806-R812 WeakPolarHBondContact O-CG 3.38Å; S806-R812 PolarHBondContact O-NH1 3.35Å | ||
| 807 | S | 89.8 | Confident | 90.7 | Very high | 117 Ų | 117 | 55.5 Ų | 55.5 | 82% | 0.818 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -64.4 | -26.7 | 169.4 | 54.7 | 0 | 0 | 0 | 0 | 112 | W809 R812 | S807-W809 PolarHBondContact O-N 2.81Å; S807-R812 VanDerWaalsContact C-NH1 3.32Å; S807-R812 PolarHBondContact O-NH1 2.89Å |
| 808 | V | 91.2 | Very high | 91.1 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -80.6 | 117.2 | -178.2 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | S806 S810 E811 R812 | S806-V808 PolarHBondContact O-N 2.97Å; S806-V808 PolarHBondContact OG-N 3.4Å; S806-V808 VanDerWaalsContact OG-N 3.12Å; V808-S810 VanDerWaalsContact C-N 3.28Å; V808-S810 VanDerWaalsContact CG1-OG 3.32Å; V808-S810 WeakPolarHBondContact CG1-OG 3.45Å; V808-S810 PolarHBondContact O-N 3.07Å; V808-E811 HydrophobicContact CB-CB 4.18Å; V808-E811 HydrophobicContact CB-CG 3.95Å; V808-E811 HydrophobicContact CG1-CG 4.05Å; V808-E811 PolarHBondContact O-N 2.99Å; V808-R812 PolarHBondContact O-N 2.99Å; V808-R812 VanDerWaalsContact O-N 3.14Å |
| 809 | W | 92.1 | Very high | 91.3 | Very high | 107 Ų | 107 | 55.6 Ų | 55.6 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -30.3 | -174 | 73.2 | -96.1 | 0 | 0 | 0 | 114 | S807 K813 H849 T852 | S807-W809 PolarHBondContact O-N 2.81Å; W809-K813 HydrophobicContact CZ3-CD 4.2Å; W809-K813 WeakPolarHBondContact O-CB 3.33Å; W809-K813 PolarHBondContact O-N 2.92Å; W809-K813 VanDerWaalsContact O-N 3.08Å; W809-H849 HydrophobicContact CB-CB 3.94Å; W809-H849 AromaticContact CD2-CE1 3.29Å; W809-H849 AromaticContact CD2-ND1 3.48Å; W809-H849 AromaticContact CD2-NE2 3.89Å; W809-H849 AromaticContact CE2-CE1 3.81Å; W809-H849 AromaticContact CE3-CE1 3.14Å; W809-H849 AromaticContact CE3-ND1 3.29Å; W809-H849 VanDerWaalsContact CE3-ND1 3.29Å; W809-H849 AromaticContact CG-CE1 3.89Å; W809-H849 AromaticContact CG-CG 3.92Å; W809-H849 AromaticContact CG-ND1 3.72Å; W809-H849 AromaticContact CZ3-CE1 3.55Å; W809-T852 PolarHBondContact O-OG1 3.37Å; W809-T852 VanDerWaalsContact O-OG1 3.07Å |
| 810 | S | 92.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.7 | -41.6 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | V808 R812 K813 E814 | V808-S810 VanDerWaalsContact C-N 3.28Å; V808-S810 VanDerWaalsContact CG1-OG 3.32Å; V808-S810 WeakPolarHBondContact CG1-OG 3.45Å; V808-S810 PolarHBondContact O-N 3.07Å; S810-R812 VanDerWaalsContact C-N 3.35Å; S810-R812 PolarHBondContact O-N 3.21Å; S810-K813 WeakPolarHBondContact O-CB 3.39Å; S810-K813 PolarHBondContact O-N 3.29Å; S810-E814 WeakPolarHBondContact O-CG 3.45Å; S810-E814 PolarHBondContact O-N 3.33Å |
| 811 | E | 92.2 | Very high | 91.2 | Very high | 88 Ų | 88 | 54.9 Ų | 54.9 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 173 | -67.5 | -177.8 | 174.1 | 0 | 0 | 111.7 | S806 V808 K813 E814 A815 | S806-E811 VanDerWaalsContact CB-OE2 3.22Å; S806-E811 WeakPolarHBondContact CB-OE2 3.43Å; S806-E811 PolarHBondContact OG-OE2 2.86Å; V808-E811 HydrophobicContact CB-CB 4.18Å; V808-E811 HydrophobicContact CB-CG 3.95Å; V808-E811 HydrophobicContact CG1-CG 4.05Å; V808-E811 PolarHBondContact O-N 2.99Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 3.46Å; E811-E814 PolarHBondContact O-N 3.03Å; E811-A815 VanDerWaalsContact O-CB 3.27Å; E811-A815 WeakPolarHBondContact O-CB 3.24Å; E811-A815 PolarHBondContact O-N 3.39Å |
| 812 | R | 94.5 | Very high | 90.9 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 173.5 | -66.5 | -158.7 | -61.1 | -77.2 | 4.7 | 111.4 | C804 S806 S807 V808 S810 A815 M816 D847 T852 | C804-R812 WeakPolarHBondContact O-CD 3.26Å; C804-R812 VanDerWaalsContact O-CG 3.31Å; C804-R812 WeakPolarHBondContact O-CG 3.02Å; S806-R812 WeakPolarHBondContact O-CD 3.29Å; S806-R812 WeakPolarHBondContact O-CG 3.38Å; S806-R812 PolarHBondContact O-NH1 3.35Å; S807-R812 VanDerWaalsContact C-NH1 3.32Å; S807-R812 PolarHBondContact O-NH1 2.89Å; V808-R812 PolarHBondContact O-N 2.99Å; V808-R812 VanDerWaalsContact O-N 3.14Å; S810-R812 VanDerWaalsContact C-N 3.35Å; S810-R812 PolarHBondContact O-N 3.21Å; R812-A815 PolarHBondContact O-N 3.48Å; R812-M816 WeakPolarHBondContact O-CB 3.4Å; R812-M816 WeakPolarHBondContact O-CG 3.46Å; R812-M816 PolarHBondContact O-N 3.4Å; R812-D847 IonicContact CZ-OD1 2.66Å; R812-D847 IonicContact CZ-OD2 2.84Å; R812-D847 VanDerWaalsContact CZ-OD2 3.32Å; R812-D847 IonicContact NE-OD1 3.46Å; R812-D847 IonicContact NE-OD2 3.11Å; R812-D847 PolarHBondContact NE-OD2 3.41Å; R812-D847 VanDerWaalsContact NH2-CG 3.33Å; R812-D847 IonicContact NH2-OD1 3.93Å; R812-D847 PolarHBondContact NH2-OD1 2.98Å; R812-D847 IonicContact NH2-OD2 3.96Å; R812-D847 PolarHBondContact NH2-OD2 3.36Å; R812-D847 VanDerWaalsContact NH2-OD2 3.09Å; R812-T852 HydrophobicContact CB-CG2 3.71Å |
| 813 | K | 93.5 | Very high | 90.8 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 177.9 | 174 | -174.8 | 166.6 | -83 | 0 | 111.8 | W809 S810 E811 A815 M816 L817 V855 | W809-K813 HydrophobicContact CZ3-CD 4.2Å; W809-K813 WeakPolarHBondContact O-CB 3.33Å; W809-K813 PolarHBondContact O-N 2.92Å; W809-K813 VanDerWaalsContact O-N 3.08Å; S810-K813 WeakPolarHBondContact O-CB 3.39Å; S810-K813 PolarHBondContact O-N 3.29Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 3.46Å; K813-A815 VanDerWaalsContact C-N 3.35Å; K813-M816 WeakPolarHBondContact O-CB 3.47Å; K813-M816 PolarHBondContact O-N 3.08Å; K813-L817 HydrophobicContact CG-CD1 4.46Å; K813-L817 WeakPolarHBondContact O-CG 3.46Å; K813-L817 PolarHBondContact O-N 3.29Å; K813-L817 VanDerWaalsContact O-N 3.14Å; K813-V855 HydrophobicContact CG-CG2 4.21Å |
| 814 | E | 91.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 40% | 0.402 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | -179.3 | -62.9 | -47.9 | 121.8 | 0 | 0 | 111.5 | S810 E811 M816 L817 V818 | S810-E814 WeakPolarHBondContact O-CG 3.45Å; S810-E814 PolarHBondContact O-N 3.33Å; E811-E814 PolarHBondContact O-N 3.03Å; E814-M816 PolarHBondContact O-N 3.44Å; E814-L817 PolarHBondContact O-N 3.15Å; E814-V818 PolarHBondContact O-N 3.37Å |
| 815 | A | 92.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R803 C804 E811 R812 K813 L817 V818 L819 | R803-A815 HydrophobicContact CB-CB 3.58Å; C804-A815 HydrophobicContact CB-CB 4.41Å; C804-A815 VanDerWaalsContact SG-C 3.6Å; C804-A815 WeakPolarHBondContact SG-CB 3.47Å; E811-A815 VanDerWaalsContact O-CB 3.27Å; E811-A815 WeakPolarHBondContact O-CB 3.24Å; E811-A815 PolarHBondContact O-N 3.39Å; R812-A815 PolarHBondContact O-N 3.48Å; K813-A815 VanDerWaalsContact C-N 3.35Å; A815-L817 VanDerWaalsContact C-N 3.33Å; A815-L817 PolarHBondContact O-N 2.96Å; A815-V818 PolarHBondContact O-N 2.67Å; A815-L819 WeakPolarHBondContact O-CB 3.34Å; A815-L819 PolarHBondContact O-N 2.96Å |
| 816 | M | 92.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -34 | 172.5 | -72.5 | 167.4 | 178.7 | 0 | 0 | 113.2 | R812 K813 E814 L819 Q820 L844 T852 V855 F856 T859 | R812-M816 WeakPolarHBondContact O-CB 3.4Å; R812-M816 WeakPolarHBondContact O-CG 3.46Å; R812-M816 PolarHBondContact O-N 3.4Å; K813-M816 WeakPolarHBondContact O-CB 3.47Å; K813-M816 PolarHBondContact O-N 3.08Å; E814-M816 PolarHBondContact O-N 3.44Å; M816-L819 PolarHBondContact O-N 3.24Å; M816-Q820 WeakPolarHBondContact O-CG 3.39Å; M816-Q820 PolarHBondContact O-N 2.84Å; M816-L844 HydrophobicContact CE-CD1 3.62Å; M816-L844 HydrophobicContact CE-CD2 3.4Å; M816-L844 VanDerWaalsContact CE-CD2 3.4Å; M816-L844 HydrophobicContact CE-CG 4Å; M816-T852 HydrophobicContact CE-CG2 3.68Å; M816-T852 HydrophobicContact SD-CG2 3.78Å; M816-V855 HydrophobicContact CB-CG1 3.75Å; M816-V855 HydrophobicContact SD-CB 4.39Å; M816-V855 HydrophobicContact SD-CG1 4.24Å; M816-F856 HydrophobicContact CE-CB 3.84Å; M816-F856 HydrophobicContact SD-CB 4Å; M816-T859 PolarHBondContact O-OG1 3.47Å |
| 817 | L | 92.3 | Very high | 87.3 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 175.9 | -67.3 | 171.7 | 0 | 0 | 0 | 111.4 | K813 E814 A815 L819 Q820 S821 V855 | K813-L817 HydrophobicContact CG-CD1 4.46Å; K813-L817 WeakPolarHBondContact O-CG 3.46Å; K813-L817 PolarHBondContact O-N 3.29Å; K813-L817 VanDerWaalsContact O-N 3.14Å; E814-L817 PolarHBondContact O-N 3.15Å; A815-L817 VanDerWaalsContact C-N 3.33Å; A815-L817 PolarHBondContact O-N 2.96Å; L817-L819 VanDerWaalsContact C-N 3.33Å; L817-Q820 PolarHBondContact O-N 2.7Å; L817-S821 PolarHBondContact O-N 3.36Å; L817-V855 HydrophobicContact CD2-CG1 3.9Å; L817-V855 HydrophobicContact CG-CG1 4.17Å |
| 818 | V | 89.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 168.6 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | V800 E814 A815 Q820 S821 L822 | V800-V818 HydrophobicContact CG1-CB 4.35Å; V800-V818 HydrophobicContact CG1-CG1 4.17Å; V800-V818 HydrophobicContact CG2-CG1 3.81Å; E814-V818 PolarHBondContact O-N 3.37Å; A815-V818 PolarHBondContact O-N 2.67Å; V818-Q820 PolarHBondContact O-N 3.46Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.88Å; V818-S821 PolarHBondContact O-OG 3.08Å; V818-L822 HydrophobicContact CG1-CD1 4.48Å; V818-L822 PolarHBondContact O-N 2.74Å |
| 819 | L | 89.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 178.6 | -164.4 | 66.7 | 0 | 0 | 0 | 112.9 | V800 L801 A815 M816 L817 S821 L822 F823 T837 F841 T859 | V800-L819 HydrophobicContact CG1-CB 4.15Å; V800-L819 HydrophobicContact CG1-CD1 4.19Å; L801-L819 HydrophobicContact CD2-CD1 4.39Å; L801-L819 HydrophobicContact CD2-CD2 4.47Å; A815-L819 WeakPolarHBondContact O-CB 3.34Å; A815-L819 PolarHBondContact O-N 2.96Å; M816-L819 PolarHBondContact O-N 3.24Å; L817-L819 VanDerWaalsContact C-N 3.33Å; L819-S821 VanDerWaalsContact C-N 3.33Å; L819-S821 PolarHBondContact O-N 3.47Å; L819-L822 HydrophobicContact CD1-CD1 4.24Å; L819-L822 PolarHBondContact O-N 3.49Å; L819-F823 HydrophobicContact CD1-CE1 3.91Å; L819-F823 HydrophobicContact CD1-CE2 4.48Å; L819-F823 HydrophobicContact CD1-CZ 3.78Å; L819-F823 HydrophobicContact CD2-CE2 4.03Å; L819-F823 HydrophobicContact CD2-CZ 3.75Å; L819-F823 HydrophobicContact CG-CD2 4.47Å; L819-F823 HydrophobicContact CG-CE1 4.01Å; L819-F823 HydrophobicContact CG-CE2 3.7Å; L819-F823 HydrophobicContact CG-CZ 3.44Å; L819-F823 VanDerWaalsContact CG-CZ 3.44Å; L819-F823 WeakPolarHBondContact O-CD2 3.39Å; L819-F823 WeakPolarHBondContact O-CG 3.49Å; L819-F823 PolarHBondContact O-N 2.71Å; L819-F823 VanDerWaalsContact O-N 3.08Å; L819-T837 HydrophobicContact CD2-CG2 4.46Å; L819-F841 HydrophobicContact CD2-CE1 3.68Å; L819-F841 HydrophobicContact CD2-CZ 3.89Å; L819-T859 HydrophobicContact CB-CG2 4.21Å; L819-T859 HydrophobicContact CD2-CG2 4.05Å; L819-T859 HydrophobicContact CG-CG2 4.27Å |
| 820 | Q | 88.8 | Confident | 86 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 169.1 | -73.5 | 178 | 3.5 | 0 | 0 | 112 | M816 L817 V818 L822 F823 R824 V855 T859 D862 | M816-Q820 WeakPolarHBondContact O-CG 3.39Å; M816-Q820 PolarHBondContact O-N 2.84Å; L817-Q820 PolarHBondContact O-N 2.7Å; V818-Q820 PolarHBondContact O-N 3.46Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.06Å; Q820-F823 PolarHBondContact O-N 3.21Å; Q820-R824 WeakPolarHBondContact O-CG 3.37Å; Q820-R824 PolarHBondContact O-N 3.41Å; Q820-V855 PolarHBondContact NE2-O 2.62Å; Q820-T859 HydrophobicContact CG-CG2 3.89Å; Q820-T859 VanDerWaalsContact CG-OG1 3.29Å; Q820-T859 WeakPolarHBondContact CG-OG1 3.26Å; Q820-T859 PolarHBondContact NE2-OG1 3.21Å; Q820-D862 WeakPolarHBondContact CG-OD2 3.5Å |
| 821 | S | 85.2 | Confident | 85.6 | Confident | 46 Ų | 46 | 64 Ų | 64 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 178.6 | 72 | 0 | 0 | 0 | 0 | 112.6 | L817 V818 L819 R824 S825 | L817-S821 PolarHBondContact O-N 3.36Å; V818-S821 WeakPolarHBondContact O-CB 3.44Å; V818-S821 PolarHBondContact O-N 2.88Å; V818-S821 PolarHBondContact O-OG 3.08Å; L819-S821 VanDerWaalsContact C-N 3.33Å; L819-S821 PolarHBondContact O-N 3.47Å; S821-R824 PolarHBondContact O-N 3.4Å; S821-S825 WeakPolarHBondContact O-CB 3.13Å; S821-S825 PolarHBondContact O-N 3.34Å; S821-S825 VanDerWaalsContact O-N 3.13Å |
| 822 | L | 85.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 174.8 | -69.3 | 170.6 | 0 | 0 | 0 | 111.5 | C795 V797 V800 V818 L819 Q820 R824 S825 | C795-L822 HydrophobicContact CB-CD2 4.2Å; V797-L822 HydrophobicContact CG2-CD1 4.48Å; V800-L822 HydrophobicContact CG2-CD1 4.46Å; V818-L822 HydrophobicContact CG1-CD1 4.48Å; V818-L822 PolarHBondContact O-N 2.74Å; L819-L822 HydrophobicContact CD1-CD1 4.24Å; L819-L822 PolarHBondContact O-N 3.49Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.06Å; L822-R824 PolarHBondContact O-N 2.94Å; L822-S825 WeakPolarHBondContact O-CB 3.38Å; L822-S825 PolarHBondContact O-N 2.89Å; L822-S825 VanDerWaalsContact O-N 3.1Å; L822-S825 PolarHBondContact O-OG 3.14Å |
| 823 | F | 87.7 | Confident | 85.2 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -25.2 | 179.3 | -59.6 | -27.6 | 0 | 0 | 0 | 114.4 | L819 Q820 L829 T837 F841 T859 D862 F863 A866 Y867 | L819-F823 HydrophobicContact CD1-CE1 3.91Å; L819-F823 HydrophobicContact CD1-CE2 4.48Å; L819-F823 HydrophobicContact CD1-CZ 3.78Å; L819-F823 HydrophobicContact CD2-CE2 4.03Å; L819-F823 HydrophobicContact CD2-CZ 3.75Å; L819-F823 HydrophobicContact CG-CD2 4.47Å; L819-F823 HydrophobicContact CG-CE1 4.01Å; L819-F823 HydrophobicContact CG-CE2 3.7Å; L819-F823 HydrophobicContact CG-CZ 3.44Å; L819-F823 VanDerWaalsContact CG-CZ 3.44Å; L819-F823 WeakPolarHBondContact O-CD2 3.39Å; L819-F823 WeakPolarHBondContact O-CG 3.49Å; L819-F823 PolarHBondContact O-N 2.71Å; L819-F823 VanDerWaalsContact O-N 3.08Å; Q820-F823 PolarHBondContact O-N 3.21Å; F823-L829 HydrophobicContact CE1-CD1 3.79Å; F823-T837 HydrophobicContact CZ-CG2 3.93Å; F823-F841 HydrophobicContact CE2-CE2 4.5Å; F823-F841 AromaticContact CE2-CZ 3.95Å; F823-F841 HydrophobicContact CE2-CZ 3.95Å; F823-F841 HydrophobicContact CZ-CZ 4.11Å; F823-T859 HydrophobicContact CD2-CG2 4.35Å; F823-T859 HydrophobicContact CE2-CG2 3.85Å; F823-D862 HydrophobicContact CB-CB 4.29Å; F823-D862 HydrophobicContact CD2-CB 4.15Å; F823-F863 HydrophobicContact CD1-CD2 4.34Å; F823-F863 HydrophobicContact CD2-CB 3.9Å; F823-F863 HydrophobicContact CD2-CD2 4.45Å; F823-F863 AromaticContact CE1-CD2 3.69Å; F823-F863 HydrophobicContact CE1-CD2 3.69Å; F823-F863 HydrophobicContact CE1-CE2 4.3Å; F823-F863 HydrophobicContact CE2-CB 3.52Å; F823-F863 AromaticContact CE2-CD2 3.83Å; F823-F863 HydrophobicContact CE2-CD2 3.83Å; F823-F863 HydrophobicContact CE2-CG 4.05Å; F823-F863 HydrophobicContact CZ-CB 4.02Å; F823-F863 AromaticContact CZ-CD2 3.39Å; F823-F863 HydrophobicContact CZ-CD2 3.39Å; F823-F863 HydrophobicContact CZ-CE2 4.18Å; F823-F863 HydrophobicContact CZ-CG 4.02Å; F823-A866 HydrophobicContact CB-CB 4.47Å; F823-Y867 AromaticContact CD1-CE2 3.81Å; F823-Y867 HydrophobicContact CD1-CE2 3.81Å; F823-Y867 HydrophobicContact CE1-CE2 4.2Å |
| 824 | R | 83.5 | Confident | 85.1 | Confident | 170 Ų | 170 | 60.6 Ų | 60.6 | 64% | 0.642 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -2.2 | 175 | -62.3 | -177.3 | -171.2 | 162.5 | 11.3 | 113.6 | Q820 S821 L822 D862 | Q820-R824 WeakPolarHBondContact O-CG 3.37Å; Q820-R824 PolarHBondContact O-N 3.41Å; S821-R824 PolarHBondContact O-N 3.4Å; L822-R824 PolarHBondContact O-N 2.94Å; R824-D862 IonicContact CZ-OD1 2.76Å; R824-D862 VanDerWaalsContact CZ-OD1 3.27Å; R824-D862 IonicContact CZ-OD2 2.78Å; R824-D862 VanDerWaalsContact NE-CG 3.34Å; R824-D862 IonicContact NE-OD1 3.73Å; R824-D862 PolarHBondContact NE-OD1 3.12Å; R824-D862 IonicContact NE-OD2 2.76Å; R824-D862 PolarHBondContact NE-OD2 2.91Å; R824-D862 IonicContact NH2-OD1 2.61Å; R824-D862 PolarHBondContact NH2-OD1 3.33Å; R824-D862 IonicContact NH2-OD2 3.18Å; R824-D862 PolarHBondContact NH2-OD2 3.32Å |
| 825 | S | 74.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89 | 166.7 | 177.1 | 78.8 | 0 | 0 | 0 | 0 | 111.5 | S821 L822 R827 | S821-S825 WeakPolarHBondContact O-CB 3.13Å; S821-S825 PolarHBondContact O-N 3.34Å; S821-S825 VanDerWaalsContact O-N 3.13Å; L822-S825 WeakPolarHBondContact O-CB 3.38Å; L822-S825 PolarHBondContact O-N 2.89Å; L822-S825 VanDerWaalsContact O-N 3.1Å; L822-S825 PolarHBondContact O-OG 3.14Å; S825-R827 PolarHBondContact O-N 3.16Å; S825-R827 PolarHBondContact OG-N 2.9Å |
| 826 | V | 62.6 | Low | 85 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 90% | 0.903 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -64.3 | -23.5 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | R828 | V826-R828 PolarHBondContact O-N 3.37Š|
| 827 | R | 71.3 | Confident | 85 | Confident | 90 Ų | 90 | 68 Ų | 68 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | trans | -74.1 | 108.2 | -178.6 | -179.1 | 175.6 | 169.5 | -173.5 | -7.9 | 111.4 | C795 S825 | C795-R827 PolarHBondContact O-NH1 3.2Å; C795-R827 PolarHBondContact O-NH2 3.42Å; S825-R827 PolarHBondContact O-N 3.16Å; S825-R827 PolarHBondContact OG-N 2.9Å | ||
| 828 | R | 76 | Confident | 85.1 | Confident | 164 Ų | 164 | 65.7 Ų | 65.7 | 62% | 0.619 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 142.5 | 167.5 | -63.8 | -66.4 | -177.4 | 158.9 | -2.7 | 111.2 | V826 A866 Y867 | V826-R828 PolarHBondContact O-N 3.37Å; R828-A866 PolarHBondContact NH1-O 2.96Å; R828-Y867 WeakPolarHBondContact CA-OH 3.4Å |
| 829 | L | 83.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 149.5 | 167 | -68.1 | -168.3 | 0 | 0 | 0 | 110.4 | V797 F823 E833 V834 Y867 | V797-L829 HydrophobicContact CB-CD2 4.38Å; V797-L829 HydrophobicContact CG1-CD2 3.79Å; V797-L829 HydrophobicContact CG2-CD2 3.67Å; F823-L829 HydrophobicContact CE1-CD1 3.79Å; L829-E833 WeakPolarHBondContact CA-OE2 3.44Å; L829-E833 HydrophobicContact CB-CB 3.98Å; L829-E833 HydrophobicContact CD1-CB 4.15Å; L829-E833 HydrophobicContact CD2-CB 4.18Å; L829-E833 HydrophobicContact CG-CB 4.34Å; L829-V834 HydrophobicContact CB-CG2 3.83Å; L829-Y867 HydrophobicContact CB-CE1 4.08Å; L829-Y867 PolarHBondContact N-OH 2.95Å |
| 830 | N | 85.8 | Confident | 85.4 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 161.3 | 169.2 | 69 | 57.4 | 0 | 0 | 0 | 111.7 | S832 E833 V834 | N830-S832 PolarHBondContact O-N 3.03Å; N830-S832 WeakPolarHBondContact OD1-CA 3.49Å; N830-S832 VanDerWaalsContact OD1-CB 3.27Å; N830-S832 WeakPolarHBondContact OD1-CB 3.5Å; N830-S832 PolarHBondContact OD1-N 2.76Å; N830-E833 PolarHBondContact N-OE2 2.86Å; N830-E833 PolarHBondContact ND2-OE1 3.27Å; N830-E833 PolarHBondContact ND2-OE2 3.46Å; N830-E833 VanDerWaalsContact ND2-OE2 3.11Å; N830-E833 WeakPolarHBondContact O-CA 3.43Å; N830-E833 WeakPolarHBondContact O-CB 3.33Å; N830-E833 PolarHBondContact O-N 3.18Å; N830-E833 PolarHBondContact OD1-N 3.28Å; N830-V834 WeakPolarHBondContact O-CG2 3.48Å; N830-V834 PolarHBondContact O-N 3.16Å |
| 831 | K | 85.2 | Confident | 85.7 | Confident | 168 Ų | 168 | 66.7 Ų | 66.7 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -52.6 | -32.4 | -178.4 | -67.8 | -172.4 | 173.6 | -174.9 | 0 | 114.3 | K835 | K831-K835 WeakPolarHBondContact O-CB 3.31Å; K831-K835 PolarHBondContact O-N 3.07Å |
| 832 | S | 87.9 | Confident | 86 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.8 | -41.1 | 176.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | N830 K835 K836 | N830-S832 PolarHBondContact O-N 3.03Å; N830-S832 WeakPolarHBondContact OD1-CA 3.49Å; N830-S832 VanDerWaalsContact OD1-CB 3.27Å; N830-S832 WeakPolarHBondContact OD1-CB 3.5Å; N830-S832 PolarHBondContact OD1-N 2.76Å; S832-K835 PolarHBondContact O-N 2.92Å; S832-K836 WeakPolarHBondContact O-CB 2.96Å; S832-K836 VanDerWaalsContact O-CG 3.24Å; S832-K836 WeakPolarHBondContact O-CG 3.37Å; S832-K836 PolarHBondContact O-N 3.38Å |
| 833 | E | 89.9 | Confident | 86.3 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 173.6 | -68.5 | 166 | 159.8 | 0 | 0 | 112 | V797 L829 N830 K835 K836 T837 | V797-E833 HydrophobicContact CB-CG 4.45Å; V797-E833 HydrophobicContact CG1-CB 4.24Å; V797-E833 HydrophobicContact CG1-CG 4.02Å; L829-E833 WeakPolarHBondContact CA-OE2 3.44Å; L829-E833 HydrophobicContact CB-CB 3.98Å; L829-E833 HydrophobicContact CD1-CB 4.15Å; L829-E833 HydrophobicContact CD2-CB 4.18Å; L829-E833 HydrophobicContact CG-CB 4.34Å; N830-E833 PolarHBondContact N-OE2 2.86Å; N830-E833 PolarHBondContact ND2-OE1 3.27Å; N830-E833 PolarHBondContact ND2-OE2 3.46Å; N830-E833 VanDerWaalsContact ND2-OE2 3.11Å; N830-E833 WeakPolarHBondContact O-CA 3.43Å; N830-E833 WeakPolarHBondContact O-CB 3.33Å; N830-E833 PolarHBondContact O-N 3.18Å; N830-E833 PolarHBondContact OD1-N 3.28Å; E833-K835 PolarHBondContact O-N 3.09Å; E833-K836 PolarHBondContact O-N 3.01Å; E833-T837 WeakPolarHBondContact O-CB 3.25Å; E833-T837 PolarHBondContact O-N 3.48Å; E833-T837 PolarHBondContact O-OG1 2.98Å |
| 834 | V | 90.8 | Very high | 86.6 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | L829 N830 T837 C838 F863 Y867 L871 | L829-V834 HydrophobicContact CB-CG2 3.83Å; N830-V834 WeakPolarHBondContact O-CG2 3.48Å; N830-V834 PolarHBondContact O-N 3.16Å; V834-T837 WeakPolarHBondContact O-CB 3.48Å; V834-T837 PolarHBondContact O-N 3.37Å; V834-C838 PolarHBondContact O-N 3.46Å; V834-C838 PolarHBondContact O-SG 2.85Å; V834-F863 HydrophobicContact CG1-CE2 4.4Å; V834-F863 HydrophobicContact CG1-CZ 4.04Å; V834-Y867 HydrophobicContact CG2-CD1 3.76Å; V834-Y867 HydrophobicContact CG2-CE1 3.95Å; V834-Y867 HydrophobicContact CG2-CG 4.35Å; V834-L871 HydrophobicContact CG1-CD2 4.19Å |
| 835 | K | 91.1 | Very high | 87 | Confident | 146 Ų | 146 | 64 Ų | 64 | 64% | 0.635 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.6 | -48 | 176.6 | -172.4 | 168.3 | -176.6 | 167.4 | 0 | 112.7 | K831 S832 E833 T837 C838 D839 | K831-K835 WeakPolarHBondContact O-CB 3.31Å; K831-K835 PolarHBondContact O-N 3.07Å; S832-K835 PolarHBondContact O-N 2.92Å; E833-K835 PolarHBondContact O-N 3.09Å; K835-T837 PolarHBondContact O-N 3.36Å; K835-C838 WeakPolarHBondContact O-CB 3.48Å; K835-C838 PolarHBondContact O-N 2.69Å; K835-C838 VanDerWaalsContact O-N 3.08Å; K835-D839 PolarHBondContact O-N 3.28Å |
| 836 | K | 91.6 | Very high | 87.8 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -35.9 | 174.2 | -70.8 | 167.2 | -174.2 | 173.9 | 0 | 112.3 | L801 S832 E833 D839 L840 | L801-K836 HydrophobicContact CD1-CB 3.92Å; S832-K836 WeakPolarHBondContact O-CB 2.96Å; S832-K836 VanDerWaalsContact O-CG 3.24Å; S832-K836 WeakPolarHBondContact O-CG 3.37Å; S832-K836 PolarHBondContact O-N 3.38Å; E833-K836 PolarHBondContact O-N 3.01Å; K836-D839 PolarHBondContact O-N 3.45Å; K836-L840 WeakPolarHBondContact O-CB 3.23Å; K836-L840 PolarHBondContact O-N 3.39Å |
| 837 | T | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | L801 L819 F823 E833 V834 K835 D839 L840 F841 F863 | L801-T837 HydrophobicContact CD2-CG2 4.47Å; L819-T837 HydrophobicContact CD2-CG2 4.46Å; F823-T837 HydrophobicContact CZ-CG2 3.93Å; E833-T837 WeakPolarHBondContact O-CB 3.25Å; E833-T837 PolarHBondContact O-N 3.48Å; E833-T837 PolarHBondContact O-OG1 2.98Å; V834-T837 WeakPolarHBondContact O-CB 3.48Å; V834-T837 PolarHBondContact O-N 3.37Å; K835-T837 PolarHBondContact O-N 3.36Å; T837-D839 PolarHBondContact O-N 3.12Å; T837-L840 WeakPolarHBondContact O-CB 3.5Å; T837-L840 PolarHBondContact O-N 3.46Å; T837-F841 HydrophobicContact CG2-CD1 3.92Å; T837-F841 HydrophobicContact CG2-CD2 4.37Å; T837-F841 HydrophobicContact CG2-CE1 3.61Å; T837-F841 HydrophobicContact CG2-CE2 4.09Å; T837-F841 HydrophobicContact CG2-CG 4.32Å; T837-F841 HydrophobicContact CG2-CZ 3.69Å; T837-F841 WeakPolarHBondContact O-CB 3.43Å; T837-F841 WeakPolarHBondContact O-CD1 3.16Å; T837-F841 WeakPolarHBondContact O-CG 3.3Å; T837-F841 PolarHBondContact O-N 2.99Å; T837-F863 HydrophobicContact CG2-CD2 4.11Å; T837-F863 HydrophobicContact CG2-CE1 4.49Å; T837-F863 HydrophobicContact CG2-CE2 3.78Å; T837-F863 HydrophobicContact CG2-CZ 3.98Å |
| 838 | C | 93.9 | Very high | 90 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 174 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | V834 K835 L840 F841 S842 L871 W874 | V834-C838 PolarHBondContact O-N 3.46Å; V834-C838 PolarHBondContact O-SG 2.85Å; K835-C838 WeakPolarHBondContact O-CB 3.48Å; K835-C838 PolarHBondContact O-N 2.69Å; K835-C838 VanDerWaalsContact O-N 3.08Å; C838-L840 VanDerWaalsContact C-N 3.33Å; C838-L840 PolarHBondContact O-N 2.89Å; C838-F841 PolarHBondContact O-N 3.43Å; C838-S842 WeakPolarHBondContact O-CB 3.2Å; C838-S842 PolarHBondContact O-N 3.41Å; C838-S842 PolarHBondContact O-OG 2.89Å; C838-L871 WeakPolarHBondContact SG-CD2 3.5Å; C838-W874 HydrophobicContact CB-CD2 4.22Å; C838-W874 HydrophobicContact CB-CG 4.27Å |
| 839 | D | 92 | Very high | 90.8 | Very high | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.8 | -31.2 | 176.9 | -68.5 | -28.3 | 0 | 0 | 0 | 113.1 | K835 K836 T837 R843 | K835-D839 PolarHBondContact O-N 3.28Å; K836-D839 PolarHBondContact O-N 3.45Å; T837-D839 PolarHBondContact O-N 3.12Å; D839-R843 PolarHBondContact O-NE 2.61Å; D839-R843 PolarHBondContact O-NH2 2.92Å |
| 840 | L | 93.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.8 | -50.3 | 172.8 | 171.4 | 68.4 | 0 | 0 | 0 | 110.8 | L801 C804 A805 K836 T837 C838 S842 R843 L844 | L801-L840 HydrophobicContact CB-CD2 4.45Å; L801-L840 HydrophobicContact CD2-CD2 3.51Å; C804-L840 HydrophobicContact CB-CD1 4.03Å; C804-L840 HydrophobicContact CB-CD2 3.48Å; C804-L840 VanDerWaalsContact CB-CD2 3.48Å; C804-L840 HydrophobicContact CB-CG 4.29Å; A805-L840 HydrophobicContact CB-CD1 4.1Å; K836-L840 WeakPolarHBondContact O-CB 3.23Å; K836-L840 PolarHBondContact O-N 3.39Å; T837-L840 WeakPolarHBondContact O-CB 3.5Å; T837-L840 PolarHBondContact O-N 3.46Å; C838-L840 VanDerWaalsContact C-N 3.33Å; C838-L840 PolarHBondContact O-N 2.89Å; L840-S842 PolarHBondContact O-N 2.99Å; L840-R843 WeakPolarHBondContact O-CA 3.45Å; L840-R843 WeakPolarHBondContact O-CB 3.47Å; L840-R843 PolarHBondContact O-N 3.03Å; L840-L844 HydrophobicContact CD1-CD1 4.17Å; L840-L844 HydrophobicContact CD1-CG 4.31Å; L840-L844 HydrophobicContact CD2-CD1 4.33Å; L840-L844 HydrophobicContact CG-CD1 3.82Å; L840-L844 HydrophobicContact CG-CG 4.36Å; L840-L844 WeakPolarHBondContact O-CG 3.48Å; L840-L844 PolarHBondContact O-N 2.92Å |
| 841 | F | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -36.1 | -179.2 | -78.4 | 18.9 | 0 | 0 | 0 | 111.1 | L819 F823 T837 C838 R843 L844 F845 F856 T859 L860 F863 W874 | L819-F841 HydrophobicContact CD2-CE1 3.68Å; L819-F841 HydrophobicContact CD2-CZ 3.89Å; F823-F841 HydrophobicContact CE2-CE2 4.5Å; F823-F841 AromaticContact CE2-CZ 3.95Å; F823-F841 HydrophobicContact CE2-CZ 3.95Å; F823-F841 HydrophobicContact CZ-CZ 4.11Å; T837-F841 HydrophobicContact CG2-CD1 3.92Å; T837-F841 HydrophobicContact CG2-CD2 4.37Å; T837-F841 HydrophobicContact CG2-CE1 3.61Å; T837-F841 HydrophobicContact CG2-CE2 4.09Å; T837-F841 HydrophobicContact CG2-CG 4.32Å; T837-F841 HydrophobicContact CG2-CZ 3.69Å; T837-F841 WeakPolarHBondContact O-CB 3.43Å; T837-F841 WeakPolarHBondContact O-CD1 3.16Å; T837-F841 WeakPolarHBondContact O-CG 3.3Å; T837-F841 PolarHBondContact O-N 2.99Å; C838-F841 PolarHBondContact O-N 3.43Å; F841-R843 PolarHBondContact O-N 2.7Å; F841-L844 HydrophobicContact CD1-CD1 3.87Å; F841-L844 HydrophobicContact CE1-CD1 4.29Å; F841-L844 PolarHBondContact O-N 3.07Å; F841-L844 VanDerWaalsContact O-N 3.1Å; F841-F845 VanDerWaalsContact O-CD2 3.24Å; F841-F845 WeakPolarHBondContact O-CD2 3.34Å; F841-F845 PolarHBondContact O-N 2.72Å; F841-F845 VanDerWaalsContact O-N 3.09Å; F841-F856 HydrophobicContact CB-CE2 3.86Å; F841-F856 HydrophobicContact CB-CZ 4.32Å; F841-F856 HydrophobicContact CD1-CE2 4.05Å; F841-F856 AromaticContact CD2-CE2 3.96Å; F841-F856 HydrophobicContact CD2-CE2 3.96Å; F841-F856 HydrophobicContact CE2-CE2 4.49Å; F841-F856 AromaticContact CG-CE2 3.7Å; F841-F856 HydrophobicContact CG-CE2 3.7Å; F841-T859 HydrophobicContact CZ-CG2 3.98Å; F841-L860 HydrophobicContact CD2-CD1 3.82Å; F841-L860 HydrophobicContact CE2-CD1 4.2Å; F841-F863 AromaticContact CD2-CD1 3.85Å; F841-F863 HydrophobicContact CD2-CD1 3.85Å; F841-F863 HydrophobicContact CD2-CE1 4.29Å; F841-F863 HydrophobicContact CD2-CG 4.37Å; F841-F863 HydrophobicContact CE2-CB 3.66Å; F841-F863 AromaticContact CE2-CD1 3.61Å; F841-F863 HydrophobicContact CE2-CD1 3.61Å; F841-F863 HydrophobicContact CE2-CD2 4.47Å; F841-F863 HydrophobicContact CE2-CE1 4.36Å; F841-F863 AromaticContact CE2-CG 3.67Å; F841-F863 HydrophobicContact CE2-CG 3.67Å; F841-F863 HydrophobicContact CZ-CB 4.31Å; F841-F863 HydrophobicContact CZ-CG 4.39Å; F841-W874 HydrophobicContact CB-CH2 3.91Å; F841-W874 HydrophobicContact CB-CZ2 3.93Å; F841-W874 HydrophobicContact CD2-CH2 4.22Å |
| 842 | S | 92.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53 | -32.6 | 170.3 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | C838 L840 W874 R881 | C838-S842 WeakPolarHBondContact O-CB 3.2Å; C838-S842 PolarHBondContact O-N 3.41Å; C838-S842 PolarHBondContact O-OG 2.89Å; L840-S842 PolarHBondContact O-N 2.99Å; S842-W874 PolarHBondContact OG-NE1 3.14Å; S842-R881 VanDerWaalsContact CA-NH1 3.34Å; S842-R881 VanDerWaalsContact O-CZ 3.29Å; S842-R881 PolarHBondContact O-NE 3.26Å; S842-R881 PolarHBondContact O-NH2 3.18Å; S842-R881 PolarHBondContact OG-NH1 2.89Å |
| 843 | R | 91.8 | Very high | 92 | Very high | 156 Ų | 156 | 50.5 Ų | 50.5 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -87.1 | -36.1 | 174.6 | -71.4 | 172.2 | -89.5 | 171.5 | -11.4 | 112.2 | D839 L840 F841 F845 V846 | D839-R843 PolarHBondContact O-NE 2.61Å; D839-R843 PolarHBondContact O-NH2 2.92Å; L840-R843 WeakPolarHBondContact O-CA 3.45Å; L840-R843 WeakPolarHBondContact O-CB 3.47Å; L840-R843 PolarHBondContact O-N 3.03Å; F841-R843 PolarHBondContact O-N 2.7Å; R843-F845 PolarHBondContact O-N 3.07Å; R843-V846 WeakPolarHBondContact O-CG2 3.28Å; R843-V846 PolarHBondContact O-N 2.71Å |
| 844 | L | 93.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.6 | -22.2 | 180 | -66.8 | 170.3 | 0 | 0 | 0 | 113.9 | M816 L840 F841 V846 D847 F856 | M816-L844 HydrophobicContact CE-CD1 3.62Å; M816-L844 HydrophobicContact CE-CD2 3.4Å; M816-L844 VanDerWaalsContact CE-CD2 3.4Å; M816-L844 HydrophobicContact CE-CG 4Å; L840-L844 HydrophobicContact CD1-CD1 4.17Å; L840-L844 HydrophobicContact CD1-CG 4.31Å; L840-L844 HydrophobicContact CD2-CD1 4.33Å; L840-L844 HydrophobicContact CG-CD1 3.82Å; L840-L844 HydrophobicContact CG-CG 4.36Å; L840-L844 WeakPolarHBondContact O-CG 3.48Å; L840-L844 PolarHBondContact O-N 2.92Å; F841-L844 HydrophobicContact CD1-CD1 3.87Å; F841-L844 HydrophobicContact CE1-CD1 4.29Å; F841-L844 PolarHBondContact O-N 3.07Å; F841-L844 VanDerWaalsContact O-N 3.1Å; L844-V846 PolarHBondContact O-N 2.73Å; L844-V846 VanDerWaalsContact O-N 3.11Å; L844-D847 WeakPolarHBondContact O-CB 3.47Å; L844-D847 PolarHBondContact O-N 3.21Å; L844-F856 HydrophobicContact CB-CD1 4.29Å; L844-F856 HydrophobicContact CB-CD2 3.64Å; L844-F856 HydrophobicContact CB-CE1 4.35Å; L844-F856 HydrophobicContact CB-CE2 3.73Å; L844-F856 HydrophobicContact CB-CG 3.94Å; L844-F856 HydrophobicContact CB-CZ 4.09Å; L844-F856 HydrophobicContact CD1-CD2 3.87Å; L844-F856 HydrophobicContact CD1-CE2 4.23Å; L844-F856 HydrophobicContact CG-CD2 4.42Å |
| 845 | F | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.5 | 168 | -88.7 | -70.9 | 0 | 0 | 0 | 113.7 | F841 R843 F856 L860 W874 L878 R881 L882 K885 | F841-F845 VanDerWaalsContact O-CD2 3.24Å; F841-F845 WeakPolarHBondContact O-CD2 3.34Å; F841-F845 PolarHBondContact O-N 2.72Å; F841-F845 VanDerWaalsContact O-N 3.09Å; R843-F845 PolarHBondContact O-N 3.07Å; F845-F856 AromaticContact CD1-CE1 3.87Å; F845-F856 HydrophobicContact CD1-CE1 3.87Å; F845-F856 HydrophobicContact CD1-CZ 4.29Å; F845-F856 HydrophobicContact CD2-CE1 4.2Å; F845-F856 AromaticContact CD2-CZ 3.82Å; F845-F856 HydrophobicContact CD2-CZ 3.82Å; F845-F856 HydrophobicContact CE1-CE1 4.03Å; F845-F856 HydrophobicContact CE1-CZ 4.29Å; F845-F856 HydrophobicContact CE2-CE1 4.36Å; F845-F856 AromaticContact CE2-CZ 3.83Å; F845-F856 HydrophobicContact CE2-CZ 3.83Å; F845-F856 AromaticContact CG-CE1 3.95Å; F845-F856 HydrophobicContact CG-CE1 3.95Å; F845-F856 HydrophobicContact CG-CZ 4.05Å; F845-F856 HydrophobicContact CZ-CE1 4.27Å; F845-F856 HydrophobicContact CZ-CZ 4.07Å; F845-L860 HydrophobicContact CE1-CD2 4.31Å; F845-L860 HydrophobicContact CZ-CD2 3.71Å; F845-W874 HydrophobicContact CE2-CH2 4.32Å; F845-W874 HydrophobicContact CE2-CZ2 4.36Å; F845-L878 HydrophobicContact CE2-CD1 4.22Å; F845-L878 HydrophobicContact CZ-CD1 3.85Å; F845-R881 HydrophobicContact CB-CB 4.42Å; F845-R881 HydrophobicContact CD1-CB 3.79Å; F845-R881 HydrophobicContact CD2-CB 3.94Å; F845-R881 HydrophobicContact CD2-CG 4.33Å; F845-R881 HydrophobicContact CE1-CB 3.96Å; F845-R881 HydrophobicContact CE2-CB 4.1Å; F845-R881 HydrophobicContact CG-CB 3.79Å; F845-R881 HydrophobicContact CG-CG 4.3Å; F845-R881 HydrophobicContact CZ-CB 4.12Å; F845-L882 HydrophobicContact CE1-CD2 3.84Å; F845-L882 HydrophobicContact CE1-CG 4.09Å; F845-L882 HydrophobicContact CZ-CD2 4.13Å; F845-L882 HydrophobicContact CZ-CG 4.13Å; F845-K885 HydrophobicContact CD1-CG 4.41Å; F845-K885 WeakPolarHBondContact O-CE 3.4Å; F845-K885 PolarHBondContact O-NZ 3.19Å |
| 846 | V | 90.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 65% | 0.648 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 24.2 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 113.2 | R843 L844 | R843-V846 WeakPolarHBondContact O-CG2 3.28Å; R843-V846 PolarHBondContact O-N 2.71Å; L844-V846 PolarHBondContact O-N 2.73Å; L844-V846 VanDerWaalsContact O-N 3.11Å |
| 847 | D | 91.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | trans | -57.9 | 127.3 | 175 | -165.8 | -55.1 | 0 | 0 | 0 | 111 | R812 L844 H849 T852 | R812-D847 IonicContact CZ-OD1 2.66Å; R812-D847 IonicContact CZ-OD2 2.84Å; R812-D847 VanDerWaalsContact CZ-OD2 3.32Å; R812-D847 IonicContact NE-OD1 3.46Å; R812-D847 IonicContact NE-OD2 3.11Å; R812-D847 PolarHBondContact NE-OD2 3.41Å; R812-D847 VanDerWaalsContact NH2-CG 3.33Å; R812-D847 IonicContact NH2-OD1 3.93Å; R812-D847 PolarHBondContact NH2-OD1 2.98Å; R812-D847 IonicContact NH2-OD2 3.96Å; R812-D847 PolarHBondContact NH2-OD2 3.36Å; R812-D847 VanDerWaalsContact NH2-OD2 3.09Å; L844-D847 WeakPolarHBondContact O-CB 3.47Å; L844-D847 PolarHBondContact O-N 3.21Å; D847-H849 PolarHBondContact O-N 3.33Å; D847-H849 PolarHBondContact OD1-N 3.36Å; D847-T852 VanDerWaalsContact OD2-CG2 3.3Å; D847-T852 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 848 | P | 89.5 | Confident | 92.8 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 81% | 0.805 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -70.6 | -15.2 | -177.6 | 28.7 | -36.6 | 0 | 0 | 0 | 113.8 | ||
| 849 | H | 91.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 42 Ų | 42 | 18% | 0.181 | 22% | 0.215 | C | C | . | . | trans | -107.8 | 110.4 | -171.3 | -170.4 | -108.3 | 0 | 0 | 0 | 112.7 | W809 D847 K851 T852 F853 | W809-H849 HydrophobicContact CB-CB 3.94Å; W809-H849 AromaticContact CD2-CE1 3.29Å; W809-H849 AromaticContact CD2-ND1 3.48Å; W809-H849 AromaticContact CD2-NE2 3.89Å; W809-H849 AromaticContact CE2-CE1 3.81Å; W809-H849 AromaticContact CE3-CE1 3.14Å; W809-H849 AromaticContact CE3-ND1 3.29Å; W809-H849 VanDerWaalsContact CE3-ND1 3.29Å; W809-H849 AromaticContact CG-CE1 3.89Å; W809-H849 AromaticContact CG-CG 3.92Å; W809-H849 AromaticContact CG-ND1 3.72Å; W809-H849 AromaticContact CZ3-CE1 3.55Å; D847-H849 PolarHBondContact O-N 3.33Å; D847-H849 PolarHBondContact OD1-N 3.36Å; H849-K851 VanDerWaalsContact C-N 3.29Å; H849-K851 PolarHBondContact O-N 3.31Å; H849-K851 VanDerWaalsContact O-N 3.11Å; H849-T852 PolarHBondContact ND1-OG1 3.15Å; H849-T852 VanDerWaalsContact ND1-OG1 3.1Å; H849-T852 WeakPolarHBondContact O-CA 3.12Å; H849-T852 WeakPolarHBondContact O-CB 3.45Å; H849-T852 PolarHBondContact O-N 2.8Å; H849-F853 PolarHBondContact O-N 3.15Å | ||
| 850 | H | 89.8 | Confident | 93 | Very high | 97 Ų | 97 | 38.1 Ų | 38.1 | 45% | 0.449 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.3 | -34.8 | -173.1 | 67.3 | -88.1 | 0 | 0 | 0 | 115 | A854 L891 | H850-A854 VanDerWaalsContact O-CB 3.25Å; H850-A854 WeakPolarHBondContact O-CB 3.36Å; H850-A854 PolarHBondContact O-N 3.37Å; H850-L891 HydrophobicContact CB-CD1 4.25Å |
| 851 | K | 90.5 | Very high | 93.1 | Very high | 112 Ų | 112 | 38.4 Ų | 38.4 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.5 | -34.9 | 177.1 | -54.6 | -174.4 | -178.9 | 171.6 | 0 | 112.1 | H849 A854 V855 | H849-K851 VanDerWaalsContact C-N 3.29Å; H849-K851 PolarHBondContact O-N 3.31Å; H849-K851 VanDerWaalsContact O-N 3.11Å; K851-A854 PolarHBondContact O-N 2.88Å; K851-V855 PolarHBondContact O-N 2.98Å |
| 852 | T | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.7 | -43.2 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 109.3 | W809 R812 M816 D847 H849 A854 V855 F856 | W809-T852 PolarHBondContact O-OG1 3.37Å; W809-T852 VanDerWaalsContact O-OG1 3.07Å; R812-T852 HydrophobicContact CB-CG2 3.71Å; M816-T852 HydrophobicContact CE-CG2 3.68Å; M816-T852 HydrophobicContact SD-CG2 3.78Å; D847-T852 VanDerWaalsContact OD2-CG2 3.3Å; D847-T852 WeakPolarHBondContact OD2-CG2 3.44Å; H849-T852 PolarHBondContact ND1-OG1 3.15Å; H849-T852 VanDerWaalsContact ND1-OG1 3.1Å; H849-T852 WeakPolarHBondContact O-CA 3.12Å; H849-T852 WeakPolarHBondContact O-CB 3.45Å; H849-T852 PolarHBondContact O-N 2.8Å; T852-A854 VanDerWaalsContact C-N 3.32Å; T852-A854 PolarHBondContact O-N 3.25Å; T852-V855 PolarHBondContact O-N 3Å; T852-F856 WeakPolarHBondContact O-CB 3.46Å; T852-F856 PolarHBondContact O-N 2.79Å |
| 853 | F | 94.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -37.9 | 170.1 | -172.5 | -106.7 | 0 | 0 | 0 | 113.1 | H849 V855 F856 L857 K885 V894 | H849-F853 PolarHBondContact O-N 3.15Å; F853-V855 VanDerWaalsContact C-N 3.33Å; F853-V855 PolarHBondContact O-N 2.8Å; F853-F856 AromaticContact CD2-CD1 3.8Å; F853-F856 HydrophobicContact CD2-CD1 3.8Å; F853-F856 HydrophobicContact CD2-CE1 4.41Å; F853-F856 AromaticContact CE2-CD1 3.86Å; F853-F856 HydrophobicContact CE2-CD1 3.86Å; F853-F856 HydrophobicContact CE2-CE1 4.06Å; F853-F856 WeakPolarHBondContact O-CB 3.42Å; F853-F856 PolarHBondContact O-N 2.71Å; F853-L857 HydrophobicContact CD1-CD1 4.18Å; F853-L857 HydrophobicContact CE1-CD1 3.7Å; F853-L857 HydrophobicContact CE1-CG 4.16Å; F853-L857 HydrophobicContact CZ-CD1 4.15Å; F853-L857 HydrophobicContact CZ-CD2 4.14Å; F853-L857 HydrophobicContact CZ-CG 4.21Å; F853-L857 WeakPolarHBondContact O-CG 3.49Å; F853-L857 PolarHBondContact O-N 3.21Å; F853-K885 HydrophobicContact CE2-CD 4.3Å; F853-K885 HydrophobicContact CZ-CD 3.84Å; F853-K885 HydrophobicContact CZ-CG 4.18Å; F853-V894 HydrophobicContact CD1-CG1 3.59Å; F853-V894 HydrophobicContact CE1-CG1 3.63Å |
| 854 | A | 93 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.5 | -25 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H850 K851 T852 V894 K897 | H850-A854 VanDerWaalsContact O-CB 3.25Å; H850-A854 WeakPolarHBondContact O-CB 3.36Å; H850-A854 PolarHBondContact O-N 3.37Å; K851-A854 PolarHBondContact O-N 2.88Å; T852-A854 VanDerWaalsContact C-N 3.32Å; T852-A854 PolarHBondContact O-N 3.25Å; A854-V894 HydrophobicContact CB-CG2 4.13Å; A854-K897 HydrophobicContact CB-CD 4.47Å; A854-K897 VanDerWaalsContact O-CD 3.26Å; A854-K897 WeakPolarHBondContact O-CD 3.37Å; A854-K897 PolarHBondContact O-NZ 3.11Å |
| 855 | V | 94.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -82.7 | -42.2 | 170.7 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | K813 M816 L817 Q820 K851 T852 F853 L857 E858 T859 | K813-V855 HydrophobicContact CG-CG2 4.21Å; M816-V855 HydrophobicContact CB-CG1 3.75Å; M816-V855 HydrophobicContact SD-CB 4.39Å; M816-V855 HydrophobicContact SD-CG1 4.24Å; L817-V855 HydrophobicContact CD2-CG1 3.9Å; L817-V855 HydrophobicContact CG-CG1 4.17Å; Q820-V855 PolarHBondContact NE2-O 2.62Å; K851-V855 PolarHBondContact O-N 2.98Å; T852-V855 PolarHBondContact O-N 3Å; F853-V855 VanDerWaalsContact C-N 3.33Å; F853-V855 PolarHBondContact O-N 2.8Å; V855-L857 VanDerWaalsContact C-N 3.29Å; V855-L857 PolarHBondContact O-N 2.69Å; V855-E858 WeakPolarHBondContact O-CB 3.38Å; V855-E858 PolarHBondContact O-N 3.21Å; V855-T859 PolarHBondContact O-N 2.93Å; V855-T859 PolarHBondContact O-OG1 3.48Å; V855-T859 VanDerWaalsContact O-OG1 3.06Å |
| 856 | F | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.3 | -44.2 | 173.3 | 164.4 | -113.5 | 0 | 0 | 0 | 112.8 | M816 F841 L844 F845 T852 F853 E858 T859 L860 | M816-F856 HydrophobicContact CE-CB 3.84Å; M816-F856 HydrophobicContact SD-CB 4Å; F841-F856 HydrophobicContact CB-CE2 3.86Å; F841-F856 HydrophobicContact CB-CZ 4.32Å; F841-F856 HydrophobicContact CD1-CE2 4.05Å; F841-F856 AromaticContact CD2-CE2 3.96Å; F841-F856 HydrophobicContact CD2-CE2 3.96Å; F841-F856 HydrophobicContact CE2-CE2 4.49Å; F841-F856 AromaticContact CG-CE2 3.7Å; F841-F856 HydrophobicContact CG-CE2 3.7Å; L844-F856 HydrophobicContact CB-CD1 4.29Å; L844-F856 HydrophobicContact CB-CD2 3.64Å; L844-F856 HydrophobicContact CB-CE1 4.35Å; L844-F856 HydrophobicContact CB-CE2 3.73Å; L844-F856 HydrophobicContact CB-CG 3.94Å; L844-F856 HydrophobicContact CB-CZ 4.09Å; L844-F856 HydrophobicContact CD1-CD2 3.87Å; L844-F856 HydrophobicContact CD1-CE2 4.23Å; L844-F856 HydrophobicContact CG-CD2 4.42Å; F845-F856 AromaticContact CD1-CE1 3.87Å; F845-F856 HydrophobicContact CD1-CE1 3.87Å; F845-F856 HydrophobicContact CD1-CZ 4.29Å; F845-F856 HydrophobicContact CD2-CE1 4.2Å; F845-F856 AromaticContact CD2-CZ 3.82Å; F845-F856 HydrophobicContact CD2-CZ 3.82Å; F845-F856 HydrophobicContact CE1-CE1 4.03Å; F845-F856 HydrophobicContact CE1-CZ 4.29Å; F845-F856 HydrophobicContact CE2-CE1 4.36Å; F845-F856 AromaticContact CE2-CZ 3.83Å; F845-F856 HydrophobicContact CE2-CZ 3.83Å; F845-F856 AromaticContact CG-CE1 3.95Å; F845-F856 HydrophobicContact CG-CE1 3.95Å; F845-F856 HydrophobicContact CG-CZ 4.05Å; F845-F856 HydrophobicContact CZ-CE1 4.27Å; F845-F856 HydrophobicContact CZ-CZ 4.07Å; T852-F856 WeakPolarHBondContact O-CB 3.46Å; T852-F856 PolarHBondContact O-N 2.79Å; F853-F856 AromaticContact CD2-CD1 3.8Å; F853-F856 HydrophobicContact CD2-CD1 3.8Å; F853-F856 HydrophobicContact CD2-CE1 4.41Å; F853-F856 AromaticContact CE2-CD1 3.86Å; F853-F856 HydrophobicContact CE2-CD1 3.86Å; F853-F856 HydrophobicContact CE2-CE1 4.06Å; F853-F856 WeakPolarHBondContact O-CB 3.42Å; F853-F856 PolarHBondContact O-N 2.71Å; F856-E858 VanDerWaalsContact C-N 3.3Å; F856-E858 PolarHBondContact O-N 3.47Å; F856-T859 CarbonylContact O-C 3Å; F856-T859 PolarHBondContact O-N 2.75Å; F856-L860 HydrophobicContact CE2-CB 4.4Å; F856-L860 HydrophobicContact CZ-CD2 4.31Å; F856-L860 VanDerWaalsContact O-CB 3.29Å; F856-L860 WeakPolarHBondContact O-CB 2.98Å; F856-L860 PolarHBondContact O-N 2.85Å |
| 857 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | 177.5 | -71 | 175.2 | 0 | 0 | 0 | 113.3 | F853 V855 L860 I861 V894 K897 L898 | F853-L857 HydrophobicContact CD1-CD1 4.18Å; F853-L857 HydrophobicContact CE1-CD1 3.7Å; F853-L857 HydrophobicContact CE1-CG 4.16Å; F853-L857 HydrophobicContact CZ-CD1 4.15Å; F853-L857 HydrophobicContact CZ-CD2 4.14Å; F853-L857 HydrophobicContact CZ-CG 4.21Å; F853-L857 WeakPolarHBondContact O-CG 3.49Å; F853-L857 PolarHBondContact O-N 3.21Å; V855-L857 VanDerWaalsContact C-N 3.29Å; V855-L857 PolarHBondContact O-N 2.69Å; L857-L860 HydrophobicContact CD2-CD2 4.47Å; L857-I861 WeakPolarHBondContact O-CD1 3.11Å; L857-I861 WeakPolarHBondContact O-CG1 3.46Å; L857-I861 PolarHBondContact O-N 3.45Å; L857-V894 HydrophobicContact CD1-CG1 3.96Å; L857-K897 HydrophobicContact CB-CB 4.09Å; L857-K897 HydrophobicContact CD1-CB 3.96Å; L857-L898 HydrophobicContact CD1-CB 4.06Å; L857-L898 HydrophobicContact CD1-CD1 4.37Å; L857-L898 HydrophobicContact CD2-CD1 3.82Å |
| 858 | E | 94.5 | Very high | 93.1 | Very high | 75 Ų | 75 | 34 Ų | 34 | 35% | 0.35 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -73.7 | -42.7 | 172.2 | -76.5 | 170 | 163.9 | 0 | 0 | 111.3 | V855 F856 L860 I861 D862 K897 | V855-E858 WeakPolarHBondContact O-CB 3.38Å; V855-E858 PolarHBondContact O-N 3.21Å; F856-E858 VanDerWaalsContact C-N 3.3Å; F856-E858 PolarHBondContact O-N 3.47Å; E858-L860 PolarHBondContact O-N 3.14Å; E858-I861 PolarHBondContact O-N 3.11Å; E858-I861 VanDerWaalsContact O-N 3.12Å; E858-D862 PolarHBondContact O-N 2.84Å; E858-K897 HydrophobicContact CG-CD 4.18Å; E858-K897 WeakPolarHBondContact OE1-CE 3.44Å; E858-K897 IonicContact OE1-NZ 3.41Å; E858-K897 PolarHBondContact OE1-NZ 2.88Å; E858-K897 IonicContact OE2-NZ 3.83Å; E858-K897 PolarHBondContact OE2-NZ 3.25Å |
| 859 | T | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -32.6 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 112.2 | M816 L819 Q820 F823 F841 V855 F856 F863 | M816-T859 PolarHBondContact O-OG1 3.47Å; L819-T859 HydrophobicContact CB-CG2 4.21Å; L819-T859 HydrophobicContact CD2-CG2 4.05Å; L819-T859 HydrophobicContact CG-CG2 4.27Å; Q820-T859 HydrophobicContact CG-CG2 3.89Å; Q820-T859 VanDerWaalsContact CG-OG1 3.29Å; Q820-T859 WeakPolarHBondContact CG-OG1 3.26Å; Q820-T859 PolarHBondContact NE2-OG1 3.21Å; F823-T859 HydrophobicContact CD2-CG2 4.35Å; F823-T859 HydrophobicContact CE2-CG2 3.85Å; F841-T859 HydrophobicContact CZ-CG2 3.98Å; V855-T859 PolarHBondContact O-N 2.93Å; V855-T859 PolarHBondContact O-OG1 3.48Å; V855-T859 VanDerWaalsContact O-OG1 3.06Å; F856-T859 CarbonylContact O-C 3Å; F856-T859 PolarHBondContact O-N 2.75Å; T859-F863 WeakPolarHBondContact O-CB 3.49Å; T859-F863 PolarHBondContact O-N 3.12Å |
| 860 | L | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 172.8 | 178.4 | 64.7 | 0 | 0 | 0 | 111.2 | F841 F845 F856 L857 E858 D862 F863 L864 W874 L878 L882 | F841-L860 HydrophobicContact CD2-CD1 3.82Å; F841-L860 HydrophobicContact CE2-CD1 4.2Å; F845-L860 HydrophobicContact CE1-CD2 4.31Å; F845-L860 HydrophobicContact CZ-CD2 3.71Å; F856-L860 HydrophobicContact CE2-CB 4.4Å; F856-L860 HydrophobicContact CZ-CD2 4.31Å; F856-L860 VanDerWaalsContact O-CB 3.29Å; F856-L860 WeakPolarHBondContact O-CB 2.98Å; F856-L860 PolarHBondContact O-N 2.85Å; L857-L860 HydrophobicContact CD2-CD2 4.47Å; E858-L860 PolarHBondContact O-N 3.14Å; L860-D862 VanDerWaalsContact C-N 3.33Å; L860-D862 PolarHBondContact O-N 3.11Å; L860-F863 WeakPolarHBondContact O-CB 3.26Å; L860-F863 PolarHBondContact O-N 2.83Å; L860-L864 HydrophobicContact CD1-CD1 4.23Å; L860-L864 HydrophobicContact CD1-CD2 4.41Å; L860-L864 HydrophobicContact CD1-CG 4.13Å; L860-L864 HydrophobicContact CG-CD1 4.03Å; L860-L864 HydrophobicContact CG-CG 4.35Å; L860-L864 VanDerWaalsContact O-CG 3.22Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 2.94Å; L860-W874 HydrophobicContact CD1-CH2 3.95Å; L860-W874 HydrophobicContact CD1-CZ3 4.08Å; L860-L878 HydrophobicContact CD1-CD1 4.12Å; L860-L878 HydrophobicContact CD2-CD1 4.17Å; L860-L882 HydrophobicContact CD2-CD2 4.15Å |
| 861 | I | 95 | Very high | 93.1 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.3 | -71 | 162.2 | 0 | 0 | 0 | 110.9 | L857 E858 R865 K900 A901 T904 | L857-I861 WeakPolarHBondContact O-CD1 3.11Å; L857-I861 WeakPolarHBondContact O-CG1 3.46Å; L857-I861 PolarHBondContact O-N 3.45Å; E858-I861 PolarHBondContact O-N 3.11Å; E858-I861 VanDerWaalsContact O-N 3.12Å; I861-R865 WeakPolarHBondContact O-CG 3.33Å; I861-R865 PolarHBondContact O-N 2.97Å; I861-R865 VanDerWaalsContact O-N 3.13Å; I861-K900 HydrophobicContact CD1-CB 4.23Å; I861-K900 HydrophobicContact CD1-CD 4.28Å; I861-K900 HydrophobicContact CD1-CG 3.98Å; I861-A901 HydrophobicContact CD1-CB 4.23Å; I861-A901 HydrophobicContact CG1-CB 3.99Å; I861-T904 HydrophobicContact CG2-CG2 4.35Å |
| 862 | D | 93.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | -68.9 | -46.4 | 0 | 0 | 0 | 112.1 | Q820 F823 R824 E858 L860 R865 A866 | Q820-D862 WeakPolarHBondContact CG-OD2 3.5Å; F823-D862 HydrophobicContact CB-CB 4.29Å; F823-D862 HydrophobicContact CD2-CB 4.15Å; R824-D862 IonicContact CZ-OD1 2.76Å; R824-D862 VanDerWaalsContact CZ-OD1 3.27Å; R824-D862 IonicContact CZ-OD2 2.78Å; R824-D862 VanDerWaalsContact NE-CG 3.34Å; R824-D862 IonicContact NE-OD1 3.73Å; R824-D862 PolarHBondContact NE-OD1 3.12Å; R824-D862 IonicContact NE-OD2 2.76Å; R824-D862 PolarHBondContact NE-OD2 2.91Å; R824-D862 IonicContact NH2-OD1 2.61Å; R824-D862 PolarHBondContact NH2-OD1 3.33Å; R824-D862 IonicContact NH2-OD2 3.18Å; R824-D862 PolarHBondContact NH2-OD2 3.32Å; E858-D862 PolarHBondContact O-N 2.84Å; L860-D862 VanDerWaalsContact C-N 3.33Å; L860-D862 PolarHBondContact O-N 3.11Å; D862-R865 PolarHBondContact O-N 3.29Å; D862-A866 WeakPolarHBondContact O-CB 3.41Å; D862-A866 PolarHBondContact O-N 3.01Å; D862-A866 VanDerWaalsContact O-N 3.08Å |
| 863 | F | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 177.4 | -177.6 | -119.5 | 0 | 0 | 0 | 112.9 | F823 V834 T837 F841 T859 L860 A866 Y867 L871 W874 | F823-F863 HydrophobicContact CD1-CD2 4.34Å; F823-F863 HydrophobicContact CD2-CB 3.9Å; F823-F863 HydrophobicContact CD2-CD2 4.45Å; F823-F863 AromaticContact CE1-CD2 3.69Å; F823-F863 HydrophobicContact CE1-CD2 3.69Å; F823-F863 HydrophobicContact CE1-CE2 4.3Å; F823-F863 HydrophobicContact CE2-CB 3.52Å; F823-F863 AromaticContact CE2-CD2 3.83Å; F823-F863 HydrophobicContact CE2-CD2 3.83Å; F823-F863 HydrophobicContact CE2-CG 4.05Å; F823-F863 HydrophobicContact CZ-CB 4.02Å; F823-F863 AromaticContact CZ-CD2 3.39Å; F823-F863 HydrophobicContact CZ-CD2 3.39Å; F823-F863 HydrophobicContact CZ-CE2 4.18Å; F823-F863 HydrophobicContact CZ-CG 4.02Å; V834-F863 HydrophobicContact CG1-CE2 4.4Å; V834-F863 HydrophobicContact CG1-CZ 4.04Å; T837-F863 HydrophobicContact CG2-CD2 4.11Å; T837-F863 HydrophobicContact CG2-CE1 4.49Å; T837-F863 HydrophobicContact CG2-CE2 3.78Å; T837-F863 HydrophobicContact CG2-CZ 3.98Å; F841-F863 AromaticContact CD2-CD1 3.85Å; F841-F863 HydrophobicContact CD2-CD1 3.85Å; F841-F863 HydrophobicContact CD2-CE1 4.29Å; F841-F863 HydrophobicContact CD2-CG 4.37Å; F841-F863 HydrophobicContact CE2-CB 3.66Å; F841-F863 AromaticContact CE2-CD1 3.61Å; F841-F863 HydrophobicContact CE2-CD1 3.61Å; F841-F863 HydrophobicContact CE2-CD2 4.47Å; F841-F863 HydrophobicContact CE2-CE1 4.36Å; F841-F863 AromaticContact CE2-CG 3.67Å; F841-F863 HydrophobicContact CE2-CG 3.67Å; F841-F863 HydrophobicContact CZ-CB 4.31Å; F841-F863 HydrophobicContact CZ-CG 4.39Å; T859-F863 WeakPolarHBondContact O-CB 3.49Å; T859-F863 PolarHBondContact O-N 3.12Å; L860-F863 WeakPolarHBondContact O-CB 3.26Å; L860-F863 PolarHBondContact O-N 2.83Å; F863-A866 PolarHBondContact O-N 3.46Å; F863-Y867 AromaticContact CD2-CD2 3.55Å; F863-Y867 HydrophobicContact CD2-CD2 3.55Å; F863-Y867 HydrophobicContact CD2-CE2 4.18Å; F863-Y867 HydrophobicContact CD2-CG 4.39Å; F863-Y867 AromaticContact CE2-CD2 3.66Å; F863-Y867 HydrophobicContact CE2-CD2 3.66Å; F863-Y867 HydrophobicContact CE2-CE2 4.35Å; F863-Y867 HydrophobicContact CE2-CG 4.12Å; F863-Y867 PolarHBondContact O-N 3.17Å; F863-L871 HydrophobicContact CD1-CD1 4Å; F863-L871 HydrophobicContact CE1-CD1 3.63Å; F863-L871 HydrophobicContact CE1-CD2 3.79Å; F863-L871 HydrophobicContact CE1-CG 4.37Å; F863-L871 HydrophobicContact CZ-CD1 4.21Å; F863-L871 HydrophobicContact CZ-CD2 3.92Å; F863-W874 HydrophobicContact CD1-CZ3 4.49Å; F863-W874 HydrophobicContact CE1-CZ3 4.24Å |
| 864 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 179.3 | -66.9 | 171.8 | 0 | 0 | 0 | 110.5 | L860 A866 Y867 H868 L871 W874 L878 T904 V905 L908 F909 | L860-L864 HydrophobicContact CD1-CD1 4.23Å; L860-L864 HydrophobicContact CD1-CD2 4.41Å; L860-L864 HydrophobicContact CD1-CG 4.13Å; L860-L864 HydrophobicContact CG-CD1 4.03Å; L860-L864 HydrophobicContact CG-CG 4.35Å; L860-L864 VanDerWaalsContact O-CG 3.22Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 2.94Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.43Å; L864-Y867 PolarHBondContact O-N 3.22Å; L864-H868 WeakPolarHBondContact O-CA 3.39Å; L864-H868 VanDerWaalsContact O-CB 3.22Å; L864-H868 WeakPolarHBondContact O-CB 3.15Å; L864-H868 PolarHBondContact O-N 2.83Å; L864-L871 HydrophobicContact CD2-CD1 3.88Å; L864-W874 HydrophobicContact CD2-CZ3 4.44Å; L864-L878 HydrophobicContact CD1-CD2 4.3Å; L864-L878 HydrophobicContact CD2-CD2 3.47Å; L864-L878 VanDerWaalsContact CD2-CD2 3.47Å; L864-T904 HydrophobicContact CB-CG2 4.36Å; L864-V905 HydrophobicContact CD1-CG2 3.76Å; L864-L908 HydrophobicContact CB-CD1 4.02Å; L864-F909 HydrophobicContact CD2-CE2 4.07Å; L864-F909 HydrophobicContact CD2-CZ 4.21Å |
| 865 | R | 92.9 | Very high | 93 | Very high | 121 Ų | 121 | 37.6 Ų | 37.6 | 46% | 0.457 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 176.6 | -72.3 | 169 | 177.4 | -163 | -12 | 112 | I861 D862 H868 T904 L908 | I861-R865 WeakPolarHBondContact O-CG 3.33Å; I861-R865 PolarHBondContact O-N 2.97Å; I861-R865 VanDerWaalsContact O-N 3.13Å; D862-R865 PolarHBondContact O-N 3.29Å; R865-H868 PolarHBondContact O-ND1 2.68Å; R865-T904 HydrophobicContact CG-CG2 4.21Å; R865-L908 HydrophobicContact CB-CD1 4.45Å; R865-L908 HydrophobicContact CG-CD1 3.91Å |
| 866 | A | 89.7 | Confident | 92.9 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F823 R828 D862 F863 L864 | F823-A866 HydrophobicContact CB-CB 4.47Å; R828-A866 PolarHBondContact NH1-O 2.96Å; D862-A866 WeakPolarHBondContact O-CB 3.41Å; D862-A866 PolarHBondContact O-N 3.01Å; D862-A866 VanDerWaalsContact O-N 3.08Å; F863-A866 PolarHBondContact O-N 3.46Å; L864-A866 VanDerWaalsContact C-N 3.3Å; L864-A866 PolarHBondContact O-N 3.43Å |
| 867 | Y | 91.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -124.2 | 10.9 | -165.7 | -59.5 | -84.4 | 0 | 0 | 0 | 116 | F823 R828 L829 V834 F863 L864 S869 E870 L871 | F823-Y867 AromaticContact CD1-CE2 3.81Å; F823-Y867 HydrophobicContact CD1-CE2 3.81Å; F823-Y867 HydrophobicContact CE1-CE2 4.2Å; R828-Y867 WeakPolarHBondContact CA-OH 3.4Å; L829-Y867 HydrophobicContact CB-CE1 4.08Å; L829-Y867 PolarHBondContact N-OH 2.95Å; V834-Y867 HydrophobicContact CG2-CD1 3.76Å; V834-Y867 HydrophobicContact CG2-CE1 3.95Å; V834-Y867 HydrophobicContact CG2-CG 4.35Å; F863-Y867 AromaticContact CD2-CD2 3.55Å; F863-Y867 HydrophobicContact CD2-CD2 3.55Å; F863-Y867 HydrophobicContact CD2-CE2 4.18Å; F863-Y867 HydrophobicContact CD2-CG 4.39Å; F863-Y867 AromaticContact CE2-CD2 3.66Å; F863-Y867 HydrophobicContact CE2-CD2 3.66Å; F863-Y867 HydrophobicContact CE2-CE2 4.35Å; F863-Y867 HydrophobicContact CE2-CG 4.12Å; F863-Y867 PolarHBondContact O-N 3.17Å; L864-Y867 PolarHBondContact O-N 3.22Å; Y867-S869 PolarHBondContact O-N 2.65Å; Y867-E870 PolarHBondContact O-N 3.02Å; Y867-L871 WeakPolarHBondContact O-CG 3.27Å |
| 868 | H | 91 | Very high | 92.7 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -44.4 | -42.3 | -175.5 | 59.3 | -77.7 | 0 | 0 | 0 | 115.2 | L864 R865 E870 L871 L908 F909 | L864-H868 WeakPolarHBondContact O-CA 3.39Å; L864-H868 VanDerWaalsContact O-CB 3.22Å; L864-H868 WeakPolarHBondContact O-CB 3.15Å; L864-H868 PolarHBondContact O-N 2.83Å; R865-H868 PolarHBondContact O-ND1 2.68Å; H868-E870 PolarHBondContact O-N 3.36Å; H868-L871 PolarHBondContact O-N 2.94Å; H868-L908 HydrophobicContact CB-CB 4Å; H868-L908 HydrophobicContact CB-CD1 4.33Å; H868-L908 PolarHBondContact CD2-O 2.67Å; H868-F909 HydrophobicContact CB-CE1 4.49Å; H868-F909 HydrophobicContact CB-CE2 4.21Å; H868-F909 HydrophobicContact CB-CZ 4.08Å; H868-F909 WeakPolarHBondContact O-CE1 3.22Å |
| 869 | S | 89 | Confident | 92.7 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 53% | 0.531 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -63.6 | -21.8 | 179.6 | 53 | 0 | 0 | 0 | 0 | 114.8 | Y867 | Y867-S869 PolarHBondContact O-N 2.65Š|
| 870 | E | 89.3 | Confident | 92.5 | Very high | 86 Ų | 86 | 40.2 Ų | 40.2 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -94 | -4.7 | 175.3 | -64.3 | -173.8 | -116.8 | 0 | 0 | 112.9 | Y867 H868 | Y867-E870 PolarHBondContact O-N 3.02Å; H868-E870 PolarHBondContact O-N 3.36Å |
| 871 | L | 92.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -104.9 | 10.1 | -168.1 | -63.9 | 175.5 | 0 | 0 | 0 | 114.4 | V834 C838 F863 L864 Y867 H868 E873 W874 L875 F909 | V834-L871 HydrophobicContact CG1-CD2 4.19Å; C838-L871 WeakPolarHBondContact SG-CD2 3.5Å; F863-L871 HydrophobicContact CD1-CD1 4Å; F863-L871 HydrophobicContact CE1-CD1 3.63Å; F863-L871 HydrophobicContact CE1-CD2 3.79Å; F863-L871 HydrophobicContact CE1-CG 4.37Å; F863-L871 HydrophobicContact CZ-CD1 4.21Å; F863-L871 HydrophobicContact CZ-CD2 3.92Å; L864-L871 HydrophobicContact CD2-CD1 3.88Å; Y867-L871 WeakPolarHBondContact O-CG 3.27Å; H868-L871 PolarHBondContact O-N 2.94Å; L871-E873 PolarHBondContact O-N 2.83Å; L871-W874 HydrophobicContact CD1-CE3 4.49Å; L871-W874 HydrophobicContact CD2-CE3 4.19Å; L871-W874 CarbonylContact O-C 3.56Å; L871-W874 WeakPolarHBondContact O-CA 3.5Å; L871-W874 PolarHBondContact O-N 3.25Å; L871-L875 PolarHBondContact O-N 3.38Å; L871-F909 HydrophobicContact CB-CE1 4.05Å; L871-F909 HydrophobicContact CB-CZ 3.92Å | ||
| 872 | H | 91.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 40% | 0.398 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -43 | -177.5 | -61.8 | 163.9 | 0 | 0 | 0 | 113.3 | W874 L875 L913 | H872-W874 VanDerWaalsContact C-N 3.27Å; H872-W874 PolarHBondContact O-N 3.17Å; H872-L875 WeakPolarHBondContact O-CB 3.28Å; H872-L875 PolarHBondContact O-N 3.16Å; H872-L913 HydrophobicContact CB-CD1 4.22Å |
| 873 | E | 90.1 | Very high | 92.4 | Very high | 191 Ų | 191 | 42.1 Ų | 42.1 | 89% | 0.893 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -29.7 | 175.4 | -64.8 | -174.8 | 172.6 | 0 | 0 | 112.8 | L871 | L871-E873 PolarHBondContact O-N 2.83Š|
| 874 | W | 93.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16.7 | -179.4 | -165.9 | 61.7 | 0 | 0 | 0 | 113 | C838 F841 S842 F845 L860 F863 L864 L871 H872 Y876 M877 L878 | C838-W874 HydrophobicContact CB-CD2 4.22Å; C838-W874 HydrophobicContact CB-CG 4.27Å; F841-W874 HydrophobicContact CB-CH2 3.91Å; F841-W874 HydrophobicContact CB-CZ2 3.93Å; F841-W874 HydrophobicContact CD2-CH2 4.22Å; S842-W874 PolarHBondContact OG-NE1 3.14Å; F845-W874 HydrophobicContact CE2-CH2 4.32Å; F845-W874 HydrophobicContact CE2-CZ2 4.36Å; L860-W874 HydrophobicContact CD1-CH2 3.95Å; L860-W874 HydrophobicContact CD1-CZ3 4.08Å; F863-W874 HydrophobicContact CD1-CZ3 4.49Å; F863-W874 HydrophobicContact CE1-CZ3 4.24Å; L864-W874 HydrophobicContact CD2-CZ3 4.44Å; L871-W874 HydrophobicContact CD1-CE3 4.49Å; L871-W874 HydrophobicContact CD2-CE3 4.19Å; L871-W874 CarbonylContact O-C 3.56Å; L871-W874 WeakPolarHBondContact O-CA 3.5Å; L871-W874 PolarHBondContact O-N 3.25Å; H872-W874 VanDerWaalsContact C-N 3.27Å; H872-W874 PolarHBondContact O-N 3.17Å; W874-Y876 VanDerWaalsContact C-N 3.28Å; W874-Y876 PolarHBondContact O-N 3.29Å; W874-M877 PolarHBondContact O-N 2.82Å; W874-L878 HydrophobicContact CD2-CB 4.34Å; W874-L878 HydrophobicContact CE3-CB 4.05Å; W874-L878 HydrophobicContact CE3-CD2 4.2Å; W874-L878 HydrophobicContact CE3-CG 4.49Å; W874-L878 HydrophobicContact CH2-CD1 4.01Å; W874-L878 HydrophobicContact CZ3-CB 4.23Å; W874-L878 HydrophobicContact CZ3-CD1 3.84Å; W874-L878 HydrophobicContact CZ3-CD2 4.1Å; W874-L878 HydrophobicContact CZ3-CG 4.28Å; W874-L878 WeakPolarHBondContact O-CB 3.46Å; W874-L878 PolarHBondContact O-N 3.1Å |
| 875 | L | 94.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.4 | -41.3 | -176.8 | -179.8 | 60.8 | 0 | 0 | 0 | 112.9 | L871 H872 L878 L879 V905 F909 L913 Q914 A917 | L871-L875 PolarHBondContact O-N 3.38Å; H872-L875 WeakPolarHBondContact O-CB 3.28Å; H872-L875 PolarHBondContact O-N 3.16Å; L875-L878 PolarHBondContact O-N 2.94Å; L875-L879 WeakPolarHBondContact O-CB 3.39Å; L875-L879 PolarHBondContact O-N 3.2Å; L875-V905 HydrophobicContact CD1-CG1 3.78Å; L875-F909 HydrophobicContact CB-CD1 4.43Å; L875-F909 HydrophobicContact CB-CE1 4.37Å; L875-F909 HydrophobicContact CD1-CB 4.34Å; L875-F909 HydrophobicContact CD1-CD1 3.89Å; L875-F909 HydrophobicContact CD1-CD2 4.05Å; L875-F909 HydrophobicContact CD1-CE1 4.16Å; L875-F909 HydrophobicContact CD1-CE2 4.32Å; L875-F909 HydrophobicContact CD1-CG 3.81Å; L875-F909 HydrophobicContact CD1-CZ 4.36Å; L875-F909 HydrophobicContact CD2-CB 4.16Å; L875-F909 HydrophobicContact CD2-CD1 3.87Å; L875-F909 HydrophobicContact CD2-CG 4.16Å; L875-F909 HydrophobicContact CG-CD1 4.28Å; L875-L913 HydrophobicContact CD2-CB 3.82Å; L875-Q914 HydrophobicContact CD2-CG 4.48Å; L875-A917 HydrophobicContact CG-CB 4.44Å |
| 876 | Y | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 43 Ų | 43 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -54.4 | 175.3 | 175.6 | -111.5 | 0 | 0 | 0 | 111.5 | W874 L878 L879 C880 A917 R920 D924 | W874-Y876 VanDerWaalsContact C-N 3.28Å; W874-Y876 PolarHBondContact O-N 3.29Å; Y876-L878 VanDerWaalsContact C-N 3.33Å; Y876-L878 PolarHBondContact O-N 2.94Å; Y876-L879 PolarHBondContact O-N 3.19Å; Y876-C880 WeakPolarHBondContact O-CB 3.43Å; Y876-C880 PolarHBondContact O-N 2.7Å; Y876-C880 PolarHBondContact O-SG 3.25Å; Y876-A917 HydrophobicContact CD2-CB 4.49Å; Y876-A917 WeakPolarHBondContact CD2-O 3.41Å; Y876-R920 HydrophobicContact CD2-CB 4.23Å; Y876-R920 HydrophobicContact CE2-CB 4Å; Y876-D924 PolarHBondContact OH-OD2 3.34Å |
| 877 | M | 92.3 | Very high | 92 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.9 | -35 | -180 | -74.4 | -60.1 | -59.4 | 0 | 0 | 112.9 | W874 R881 | W874-M877 PolarHBondContact O-N 2.82Å; M877-R881 VanDerWaalsContact CE-CZ 3.41Å; M877-R881 WeakPolarHBondContact O-CB 3.46Å; M877-R881 WeakPolarHBondContact O-CG 3.39Å; M877-R881 PolarHBondContact O-N 2.93Å; M877-R881 VanDerWaalsContact O-N 3.15Å |
| 878 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -54.6 | 176.4 | 173.4 | 61.1 | 0 | 0 | 0 | 111.3 | F845 L860 L864 W874 L875 Y876 C880 R881 L882 V905 F909 | F845-L878 HydrophobicContact CE2-CD1 4.22Å; F845-L878 HydrophobicContact CZ-CD1 3.85Å; L860-L878 HydrophobicContact CD1-CD1 4.12Å; L860-L878 HydrophobicContact CD2-CD1 4.17Å; L864-L878 HydrophobicContact CD1-CD2 4.3Å; L864-L878 HydrophobicContact CD2-CD2 3.47Å; L864-L878 VanDerWaalsContact CD2-CD2 3.47Å; W874-L878 HydrophobicContact CD2-CB 4.34Å; W874-L878 HydrophobicContact CE3-CB 4.05Å; W874-L878 HydrophobicContact CE3-CD2 4.2Å; W874-L878 HydrophobicContact CE3-CG 4.49Å; W874-L878 HydrophobicContact CH2-CD1 4.01Å; W874-L878 HydrophobicContact CZ3-CB 4.23Å; W874-L878 HydrophobicContact CZ3-CD1 3.84Å; W874-L878 HydrophobicContact CZ3-CD2 4.1Å; W874-L878 HydrophobicContact CZ3-CG 4.28Å; W874-L878 WeakPolarHBondContact O-CB 3.46Å; W874-L878 PolarHBondContact O-N 3.1Å; L875-L878 PolarHBondContact O-N 2.94Å; Y876-L878 VanDerWaalsContact C-N 3.33Å; Y876-L878 PolarHBondContact O-N 2.94Å; L878-C880 PolarHBondContact O-N 2.84Å; L878-R881 PolarHBondContact O-N 3.14Å; L878-L882 HydrophobicContact CD1-CD1 3.74Å; L878-L882 HydrophobicContact CD1-CG 4.12Å; L878-L882 HydrophobicContact CG-CD1 3.97Å; L878-L882 WeakPolarHBondContact O-CG 3.16Å; L878-L882 PolarHBondContact O-N 2.86Å; L878-V905 HydrophobicContact CD2-CG2 3.8Å; L878-V905 HydrophobicContact CG-CG2 4.32Å; L878-F909 HydrophobicContact CD2-CE2 4.44Å |
| 879 | L | 93.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | -177.8 | -173.2 | 60.8 | 0 | 0 | 0 | 111.1 | L875 Y876 R881 L882 L883 L902 A917 L918 Y940 | L875-L879 WeakPolarHBondContact O-CB 3.39Å; L875-L879 PolarHBondContact O-N 3.2Å; Y876-L879 PolarHBondContact O-N 3.19Å; L879-R881 VanDerWaalsContact C-N 3.33Å; L879-R881 PolarHBondContact O-N 3.46Å; L879-L882 PolarHBondContact O-N 2.94Å; L879-L883 HydrophobicContact CD1-CD1 3.92Å; L879-L883 HydrophobicContact CD1-CG 4.1Å; L879-L883 HydrophobicContact CG-CD1 3.91Å; L879-L883 HydrophobicContact CG-CG 4.44Å; L879-L883 WeakPolarHBondContact O-CB 3.5Å; L879-L883 WeakPolarHBondContact O-CG 3.2Å; L879-L883 PolarHBondContact O-N 3.4Å; L879-L902 HydrophobicContact CD1-CD2 4.09Å; L879-A917 HydrophobicContact CD2-CB 4.38Å; L879-L918 HydrophobicContact CD2-CD2 3.78Å; L879-L918 HydrophobicContact CD2-CG 3.9Å; L879-Y940 HydrophobicContact CD1-CD1 4.27Å; L879-Y940 HydrophobicContact CD1-CD2 4.24Å; L879-Y940 HydrophobicContact CD1-CE1 3.82Å; L879-Y940 HydrophobicContact CD1-CE2 3.76Å; L879-Y940 HydrophobicContact CD1-CG 4.47Å; L879-Y940 HydrophobicContact CD2-CD1 4.48Å; L879-Y940 HydrophobicContact CD2-CE1 4.08Å |
| 880 | C | 90.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.135 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -47.4 | 173.3 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | Y876 L878 A884 Y921 | Y876-C880 WeakPolarHBondContact O-CB 3.43Å; Y876-C880 PolarHBondContact O-N 2.7Å; Y876-C880 PolarHBondContact O-SG 3.25Å; L878-C880 PolarHBondContact O-N 2.84Å; C880-A884 WeakPolarHBondContact O-CB 3.45Å; C880-A884 PolarHBondContact O-N 3.11Å; C880-Y921 WeakPolarHBondContact SG-CD2 3.29Å |
| 881 | R | 93 | Very high | 91.4 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.5 | -36.2 | -177.6 | -74.1 | -172.5 | 178 | 123 | -10.2 | 113.5 | S842 F845 M877 L878 L879 K885 | S842-R881 VanDerWaalsContact CA-NH1 3.34Å; S842-R881 VanDerWaalsContact O-CZ 3.29Å; S842-R881 PolarHBondContact O-NE 3.26Å; S842-R881 PolarHBondContact O-NH2 3.18Å; S842-R881 PolarHBondContact OG-NH1 2.89Å; F845-R881 HydrophobicContact CB-CB 4.42Å; F845-R881 HydrophobicContact CD1-CB 3.79Å; F845-R881 HydrophobicContact CD2-CB 3.94Å; F845-R881 HydrophobicContact CD2-CG 4.33Å; F845-R881 HydrophobicContact CE1-CB 3.96Å; F845-R881 HydrophobicContact CE2-CB 4.1Å; F845-R881 HydrophobicContact CG-CB 3.79Å; F845-R881 HydrophobicContact CG-CG 4.3Å; F845-R881 HydrophobicContact CZ-CB 4.12Å; M877-R881 VanDerWaalsContact CE-CZ 3.41Å; M877-R881 WeakPolarHBondContact O-CB 3.46Å; M877-R881 WeakPolarHBondContact O-CG 3.39Å; M877-R881 PolarHBondContact O-N 2.93Å; M877-R881 VanDerWaalsContact O-N 3.15Å; L878-R881 PolarHBondContact O-N 3.14Å; L879-R881 VanDerWaalsContact C-N 3.33Å; L879-R881 PolarHBondContact O-N 3.46Å; R881-K885 WeakPolarHBondContact O-CB 3.33Å; R881-K885 WeakPolarHBondContact O-CG 3.36Å; R881-K885 PolarHBondContact O-N 3.07Å |
| 882 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -50.5 | 175.3 | -73.5 | 169.2 | 0 | 0 | 0 | 111.3 | F845 L860 L878 L879 A884 K885 Q886 L898 A901 L902 V905 | F845-L882 HydrophobicContact CE1-CD2 3.84Å; F845-L882 HydrophobicContact CE1-CG 4.09Å; F845-L882 HydrophobicContact CZ-CD2 4.13Å; F845-L882 HydrophobicContact CZ-CG 4.13Å; L860-L882 HydrophobicContact CD2-CD2 4.15Å; L878-L882 HydrophobicContact CD1-CD1 3.74Å; L878-L882 HydrophobicContact CD1-CG 4.12Å; L878-L882 HydrophobicContact CG-CD1 3.97Å; L878-L882 WeakPolarHBondContact O-CG 3.16Å; L878-L882 PolarHBondContact O-N 2.86Å; L879-L882 PolarHBondContact O-N 2.94Å; L882-A884 PolarHBondContact O-N 3.35Å; L882-K885 PolarHBondContact O-N 3.43Å; L882-Q886 PolarHBondContact O-N 3.45Å; L882-L898 HydrophobicContact CD2-CD1 3.56Å; L882-A901 HydrophobicContact CD2-CB 4Å; L882-L902 HydrophobicContact CB-CD2 3.6Å; L882-L902 HydrophobicContact CB-CG 3.99Å; L882-L902 HydrophobicContact CD1-CD2 4.07Å; L882-L902 HydrophobicContact CD1-CG 4.37Å; L882-L902 HydrophobicContact CG-CD2 4.44Å; L882-V905 HydrophobicContact CD1-CG2 3.9Å |
| 883 | L | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 178.5 | -64.6 | 175.7 | 0 | 0 | 0 | 111.9 | L879 K885 Q886 S887 L902 L918 M933 N936 L937 Y940 | L879-L883 HydrophobicContact CD1-CD1 3.92Å; L879-L883 HydrophobicContact CD1-CG 4.1Å; L879-L883 HydrophobicContact CG-CD1 3.91Å; L879-L883 HydrophobicContact CG-CG 4.44Å; L879-L883 WeakPolarHBondContact O-CB 3.5Å; L879-L883 WeakPolarHBondContact O-CG 3.2Å; L879-L883 PolarHBondContact O-N 3.4Å; L883-K885 PolarHBondContact O-N 3.11Å; L883-Q886 PolarHBondContact O-N 2.69Å; L883-S887 PolarHBondContact O-N 2.93Å; L883-S887 VanDerWaalsContact O-N 3.14Å; L883-S887 PolarHBondContact O-OG 3.47Å; L883-L902 HydrophobicContact CD2-CD1 4.32Å; L883-L902 HydrophobicContact CD2-CD2 3.84Å; L883-L902 HydrophobicContact CG-CD2 4.23Å; L883-L918 HydrophobicContact CD1-CD2 4.39Å; L883-M933 HydrophobicContact CB-CE 3.8Å; L883-M933 HydrophobicContact CB-SD 3.91Å; L883-M933 VanDerWaalsContact O-SD 3.41Å; L883-N936 HydrophobicContact CD2-CB 4.33Å; L883-L937 HydrophobicContact CD1-CD2 3.75Å; L883-L937 HydrophobicContact CD1-CG 4.38Å; L883-Y940 HydrophobicContact CD2-CD2 4.1Å; L883-Y940 HydrophobicContact CD2-CG 4.4Å |
| 884 | A | 90.8 | Very high | 91 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C880 L882 S887 M933 | C880-A884 WeakPolarHBondContact O-CB 3.45Å; C880-A884 PolarHBondContact O-N 3.11Å; L882-A884 PolarHBondContact O-N 3.35Å; A884-S887 WeakPolarHBondContact O-CB 3.34Å; A884-S887 PolarHBondContact O-N 3.35Å; A884-M933 HydrophobicContact CB-CE 4.35Å; A884-M933 HydrophobicContact CB-SD 4.42Å |
| 885 | K | 91.7 | Very high | 90.9 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 175.1 | -77.9 | -79.4 | 151.8 | 153.3 | 0 | 112.8 | F845 F853 R881 L882 L883 S887 T888 L890 L898 | F845-K885 HydrophobicContact CD1-CG 4.41Å; F845-K885 WeakPolarHBondContact O-CE 3.4Å; F845-K885 PolarHBondContact O-NZ 3.19Å; F853-K885 HydrophobicContact CE2-CD 4.3Å; F853-K885 HydrophobicContact CZ-CD 3.84Å; F853-K885 HydrophobicContact CZ-CG 4.18Å; R881-K885 WeakPolarHBondContact O-CB 3.33Å; R881-K885 WeakPolarHBondContact O-CG 3.36Å; R881-K885 PolarHBondContact O-N 3.07Å; L882-K885 PolarHBondContact O-N 3.43Å; L883-K885 PolarHBondContact O-N 3.11Å; K885-S887 PolarHBondContact O-N 3.03Å; K885-T888 PolarHBondContact O-N 2.86Å; K885-T888 PolarHBondContact O-OG1 3.37Å; K885-L890 WeakPolarHBondContact O-CD1 3.24Å; K885-L898 HydrophobicContact CB-CD1 4.14Å; K885-L898 HydrophobicContact CB-CD2 3.98Å |
| 886 | Q | 91.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 23% | 0.229 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -22.9 | 174.5 | -169.8 | -174.7 | 5.5 | 0 | 0 | 111.7 | L882 L883 T888 L898 L902 | L882-Q886 PolarHBondContact O-N 3.45Å; L883-Q886 PolarHBondContact O-N 2.69Å; Q886-T888 VanDerWaalsContact C-N 3.32Å; Q886-L898 HydrophobicContact CB-CD2 3.88Å; Q886-L902 VanDerWaalsContact OE1-CD1 3.29Å |
| 887 | S | 89.4 | Confident | 90.8 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.1 | 176.8 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | L883 A884 K885 M933 N936 | L883-S887 PolarHBondContact O-N 2.93Å; L883-S887 VanDerWaalsContact O-N 3.14Å; L883-S887 PolarHBondContact O-OG 3.47Å; A884-S887 WeakPolarHBondContact O-CB 3.34Å; A884-S887 PolarHBondContact O-N 3.35Å; K885-S887 PolarHBondContact O-N 3.03Å; S887-M933 WeakPolarHBondContact OG-CA 3.44Å; S887-M933 WeakPolarHBondContact OG-CB 3.41Å; S887-M933 PolarHBondContact OG-N 2.95Å; S887-M933 PolarHBondContact OG-SD 3.49Å; S887-N936 PolarHBondContact OG-ND2 2.92Å |
| 888 | T | 89.3 | Confident | 90.9 | Very high | 67 Ų | 67 | 49 Ų | 49 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -101 | 163 | 175.5 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | K885 Q886 L890 | K885-T888 PolarHBondContact O-N 2.86Å; K885-T888 PolarHBondContact O-OG1 3.37Å; Q886-T888 VanDerWaalsContact C-N 3.32Å; T888-L890 PolarHBondContact O-N 2.77Å |
| 889 | E | 84.9 | Confident | 90.8 | Very high | 169 Ų | 169 | 52.3 Ų | 52.3 | 79% | 0.79 | 28% | 0.282 | S | S | * | . | trans | -84.5 | 115.3 | 179 | -61 | -170.8 | 169 | 0 | 0 | 110 | K932 | E889-K932 IonicContact OE1-NZ 3.39Å; E889-K932 PolarHBondContact OE1-NZ 3.4Å | ||
| 890 | L | 86.8 | Confident | 90.9 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | trans | -124.6 | 155.3 | -174.5 | -64.5 | 173.7 | 0 | 0 | 0 | 110.2 | K885 T888 V894 L898 | K885-L890 WeakPolarHBondContact O-CD1 3.24Å; T888-L890 PolarHBondContact O-N 2.77Å; L890-V894 HydrophobicContact CB-CB 4.49Å; L890-V894 HydrophobicContact CB-CG1 4.44Å; L890-V894 HydrophobicContact CD1-CG1 4.32Å; L890-V894 HydrophobicContact CD2-CG1 4.36Å; L890-L898 HydrophobicContact CD1-CD2 3.76Å | ||
| 891 | L | 88.6 | Confident | 91.1 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 45% | 0.45 | 30% | 0.296 | S | S | . | . | trans | -60.4 | 141.8 | 170.1 | -71.7 | 160 | 0 | 0 | 0 | 110 | H850 S893 V894 Q895 | H850-L891 HydrophobicContact CB-CD1 4.25Å; L891-S893 PolarHBondContact O-N 3.42Å; L891-S893 VanDerWaalsContact O-N 3.12Å; L891-V894 HydrophobicContact CB-CB 4.38Å; L891-V894 HydrophobicContact CB-CG2 4.05Å; L891-V894 WeakPolarHBondContact O-CA 3.44Å; L891-V894 WeakPolarHBondContact O-CB 3.49Å; L891-V894 PolarHBondContact O-N 3.49Å; L891-Q895 PolarHBondContact O-N 2.86Å | ||
| 892 | P | 87.5 | Confident | 91.2 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 59% | 0.591 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54.6 | -36.4 | -179.2 | -29 | 35.5 | 0 | 0 | 0 | 114.1 | V894 Q895 N896 | P892-V894 VanDerWaalsContact C-N 3.29Å; P892-V894 PolarHBondContact O-N 3.24Å; P892-Q895 PolarHBondContact O-N 2.94Å; P892-N896 VanDerWaalsContact O-CG 3.27Å; P892-N896 PolarHBondContact O-N 3.17Å; P892-N896 PolarHBondContact O-OD1 3.23Å |
| 893 | S | 85.4 | Confident | 91.1 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.3 | -27 | 175.5 | 55 | 0 | 0 | 0 | 0 | 114 | L891 K897 | L891-S893 PolarHBondContact O-N 3.42Å; L891-S893 VanDerWaalsContact O-N 3.12Å; S893-K897 WeakPolarHBondContact O-CG 3.47Å |
| 894 | V | 92.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -85 | -40.2 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | F853 A854 L857 L890 L891 P892 N896 K897 L898 | F853-V894 HydrophobicContact CD1-CG1 3.59Å; F853-V894 HydrophobicContact CE1-CG1 3.63Å; A854-V894 HydrophobicContact CB-CG2 4.13Å; L857-V894 HydrophobicContact CD1-CG1 3.96Å; L890-V894 HydrophobicContact CB-CB 4.49Å; L890-V894 HydrophobicContact CB-CG1 4.44Å; L890-V894 HydrophobicContact CD1-CG1 4.32Å; L890-V894 HydrophobicContact CD2-CG1 4.36Å; L891-V894 HydrophobicContact CB-CB 4.38Å; L891-V894 HydrophobicContact CB-CG2 4.05Å; L891-V894 WeakPolarHBondContact O-CA 3.44Å; L891-V894 WeakPolarHBondContact O-CB 3.49Å; L891-V894 PolarHBondContact O-N 3.49Å; P892-V894 VanDerWaalsContact C-N 3.29Å; P892-V894 PolarHBondContact O-N 3.24Å; V894-N896 VanDerWaalsContact C-N 3.34Å; V894-N896 PolarHBondContact O-N 2.9Å; V894-K897 PolarHBondContact O-N 3.11Å; V894-L898 WeakPolarHBondContact O-CB 3.47Å; V894-L898 PolarHBondContact O-N 3.33Å |
| 895 | Q | 91.4 | Very high | 91.4 | Very high | 88 Ų | 88 | 56.7 Ų | 56.7 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.4 | -171.5 | 175.4 | 0.5 | 0 | 0 | 111.6 | L891 P892 K897 L898 L899 | L891-Q895 PolarHBondContact O-N 2.86Å; P892-Q895 PolarHBondContact O-N 2.94Å; Q895-K897 PolarHBondContact O-N 2.84Å; Q895-L898 WeakPolarHBondContact O-CB 3.21Å; Q895-L898 PolarHBondContact O-N 3.28Å; Q895-L899 HydrophobicContact CG-CD1 4.48Å; Q895-L899 WeakPolarHBondContact O-CG 3.28Å; Q895-L899 PolarHBondContact O-N 3.13Å |
| 896 | N | 90.3 | Very high | 91.5 | Very high | 106 Ų | 106 | 59.2 Ų | 59.2 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -39.5 | 175.5 | -69.3 | -7.3 | 0 | 0 | 0 | 112.6 | P892 V894 L898 K900 | P892-N896 VanDerWaalsContact O-CG 3.27Å; P892-N896 PolarHBondContact O-N 3.17Å; P892-N896 PolarHBondContact O-OD1 3.23Å; V894-N896 VanDerWaalsContact C-N 3.34Å; V894-N896 PolarHBondContact O-N 2.9Å; N896-L898 VanDerWaalsContact C-N 3.34Å; N896-K900 WeakPolarHBondContact O-CB 3.48Å; N896-K900 PolarHBondContact O-N 3.46Å |
| 897 | K | 93.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 63 Ų | 63 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 174.5 | -71 | -176.3 | 174.9 | -161.5 | 0 | 112.3 | A854 L857 E858 S893 V894 Q895 A901 | A854-K897 HydrophobicContact CB-CD 4.47Å; A854-K897 VanDerWaalsContact O-CD 3.26Å; A854-K897 WeakPolarHBondContact O-CD 3.37Å; A854-K897 PolarHBondContact O-NZ 3.11Å; L857-K897 HydrophobicContact CB-CB 4.09Å; L857-K897 HydrophobicContact CD1-CB 3.96Å; E858-K897 HydrophobicContact CG-CD 4.18Å; E858-K897 WeakPolarHBondContact OE1-CE 3.44Å; E858-K897 IonicContact OE1-NZ 3.41Å; E858-K897 PolarHBondContact OE1-NZ 2.88Å; E858-K897 IonicContact OE2-NZ 3.83Å; E858-K897 PolarHBondContact OE2-NZ 3.25Å; S893-K897 WeakPolarHBondContact O-CG 3.47Å; V894-K897 PolarHBondContact O-N 3.11Å; Q895-K897 PolarHBondContact O-N 2.84Å; K897-A901 PolarHBondContact O-N 2.99Å |
| 898 | L | 94.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 177.8 | -174.8 | 72.6 | 0 | 0 | 0 | 111.8 | L857 L882 K885 Q886 L890 V894 Q895 N896 A901 L902 | L857-L898 HydrophobicContact CD1-CB 4.06Å; L857-L898 HydrophobicContact CD1-CD1 4.37Å; L857-L898 HydrophobicContact CD2-CD1 3.82Å; L882-L898 HydrophobicContact CD2-CD1 3.56Å; K885-L898 HydrophobicContact CB-CD1 4.14Å; K885-L898 HydrophobicContact CB-CD2 3.98Å; Q886-L898 HydrophobicContact CB-CD2 3.88Å; L890-L898 HydrophobicContact CD1-CD2 3.76Å; V894-L898 WeakPolarHBondContact O-CB 3.47Å; V894-L898 PolarHBondContact O-N 3.33Å; Q895-L898 WeakPolarHBondContact O-CB 3.21Å; Q895-L898 PolarHBondContact O-N 3.28Å; N896-L898 VanDerWaalsContact C-N 3.34Å; L898-A901 PolarHBondContact O-N 2.97Å; L898-L902 PolarHBondContact O-N 3.4Å |
| 899 | L | 93.6 | Very high | 91.8 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 173.3 | -70.9 | 172.5 | 0 | 0 | 0 | 110.9 | Q895 A901 L902 E903 | Q895-L899 HydrophobicContact CG-CD1 4.48Å; Q895-L899 WeakPolarHBondContact O-CG 3.28Å; Q895-L899 PolarHBondContact O-N 3.13Å; L899-A901 VanDerWaalsContact C-N 3.28Å; L899-A901 PolarHBondContact O-N 2.76Å; L899-L902 WeakPolarHBondContact O-CB 3.41Å; L899-L902 PolarHBondContact O-N 3.41Å; L899-L902 VanDerWaalsContact O-N 3.11Å; L899-E903 WeakPolarHBondContact O-CB 3.42Å; L899-E903 PolarHBondContact O-N 2.98Å |
| 900 | K | 95 | Very high | 92.1 | Very high | 106 Ų | 106 | 56.8 Ų | 56.8 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -35.2 | 174.5 | -171.2 | 171.5 | -175.9 | 167.8 | 0 | 113 | I861 N896 T904 | I861-K900 HydrophobicContact CD1-CB 4.23Å; I861-K900 HydrophobicContact CD1-CD 4.28Å; I861-K900 HydrophobicContact CD1-CG 3.98Å; N896-K900 WeakPolarHBondContact O-CB 3.48Å; N896-K900 PolarHBondContact O-N 3.46Å; K900-T904 WeakPolarHBondContact O-CB 3.32Å; K900-T904 PolarHBondContact O-N 3.02Å; K900-T904 PolarHBondContact O-OG1 3.45Å |
| 901 | A | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I861 L882 K897 L898 L899 T904 V905 | I861-A901 HydrophobicContact CD1-CB 4.23Å; I861-A901 HydrophobicContact CG1-CB 3.99Å; L882-A901 HydrophobicContact CD2-CB 4Å; K897-A901 PolarHBondContact O-N 2.99Å; L898-A901 PolarHBondContact O-N 2.97Å; L899-A901 VanDerWaalsContact C-N 3.28Å; L899-A901 PolarHBondContact O-N 2.76Å; A901-T904 PolarHBondContact O-N 2.79Å; A901-V905 WeakPolarHBondContact O-CG2 3.4Å; A901-V905 PolarHBondContact O-N 3.28Å |
| 902 | L | 95 | Very high | 92.3 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 172.9 | -78.5 | 161.5 | 0 | 0 | 0 | 112.3 | L879 L882 L883 Q886 L898 L899 V905 R906 Y940 | L879-L902 HydrophobicContact CD1-CD2 4.09Å; L882-L902 HydrophobicContact CB-CD2 3.6Å; L882-L902 HydrophobicContact CB-CG 3.99Å; L882-L902 HydrophobicContact CD1-CD2 4.07Å; L882-L902 HydrophobicContact CD1-CG 4.37Å; L882-L902 HydrophobicContact CG-CD2 4.44Å; L883-L902 HydrophobicContact CD2-CD1 4.32Å; L883-L902 HydrophobicContact CD2-CD2 3.84Å; L883-L902 HydrophobicContact CG-CD2 4.23Å; Q886-L902 VanDerWaalsContact OE1-CD1 3.29Å; L898-L902 PolarHBondContact O-N 3.4Å; L899-L902 WeakPolarHBondContact O-CB 3.41Å; L899-L902 PolarHBondContact O-N 3.41Å; L899-L902 VanDerWaalsContact O-N 3.11Å; L902-V905 PolarHBondContact O-N 3.37Å; L902-R906 PolarHBondContact O-N 3.19Å; L902-Y940 HydrophobicContact CD2-CD2 4.16Å; L902-Y940 HydrophobicContact CD2-CE2 3.85Å |
| 903 | E | 93.5 | Very high | 92.5 | Very high | 110 Ų | 110 | 52.7 Ų | 52.7 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.6 | -173.2 | 172.2 | -134.1 | 0 | 0 | 111.1 | L899 V905 R906 E907 | L899-E903 WeakPolarHBondContact O-CB 3.42Å; L899-E903 PolarHBondContact O-N 2.98Å; E903-V905 VanDerWaalsContact C-N 3.27Å; E903-V905 PolarHBondContact O-N 2.9Å; E903-R906 WeakPolarHBondContact O-CA 3.3Å; E903-R906 WeakPolarHBondContact O-CB 3.34Å; E903-R906 PolarHBondContact O-N 3.23Å; E903-E907 WeakPolarHBondContact O-CG 3.27Å; E903-E907 PolarHBondContact O-N 3.49Å |
| 904 | T | 94.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -32.3 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | I861 L864 R865 K900 A901 L908 | I861-T904 HydrophobicContact CG2-CG2 4.35Å; L864-T904 HydrophobicContact CB-CG2 4.36Å; R865-T904 HydrophobicContact CG-CG2 4.21Å; K900-T904 WeakPolarHBondContact O-CB 3.32Å; K900-T904 PolarHBondContact O-N 3.02Å; K900-T904 PolarHBondContact O-OG1 3.45Å; A901-T904 PolarHBondContact O-N 2.79Å; T904-L908 HydrophobicContact CG2-CD1 3.54Å; T904-L908 HydrophobicContact CG2-CG 4.2Å; T904-L908 WeakPolarHBondContact O-CB 3.4Å; T904-L908 VanDerWaalsContact O-CG 3.26Å; T904-L908 WeakPolarHBondContact O-CG 3.25Å; T904-L908 PolarHBondContact O-N 3.09Å |
| 905 | V | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 172.4 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L864 L875 L878 L882 A901 L902 E903 E907 F909 | L864-V905 HydrophobicContact CD1-CG2 3.76Å; L875-V905 HydrophobicContact CD1-CG1 3.78Å; L878-V905 HydrophobicContact CD2-CG2 3.8Å; L878-V905 HydrophobicContact CG-CG2 4.32Å; L882-V905 HydrophobicContact CD1-CG2 3.9Å; A901-V905 WeakPolarHBondContact O-CG2 3.4Å; A901-V905 PolarHBondContact O-N 3.28Å; L902-V905 PolarHBondContact O-N 3.37Å; E903-V905 VanDerWaalsContact C-N 3.27Å; E903-V905 PolarHBondContact O-N 2.9Å; V905-E907 VanDerWaalsContact C-N 3.34Å; V905-E907 PolarHBondContact O-N 3.1Å; V905-F909 HydrophobicContact CB-CD2 4.44Å; V905-F909 HydrophobicContact CG1-CD2 3.95Å; V905-F909 HydrophobicContact CG1-CE2 4.46Å; V905-F909 WeakPolarHBondContact O-CD2 3.38Å; V905-F909 PolarHBondContact O-N 2.99Å |
| 906 | R | 93.3 | Very high | 92.9 | Very high | 98 Ų | 98 | 49 Ų | 49 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 174.7 | -74.1 | 174.4 | 53.5 | 162.5 | 4.2 | 112.8 | L902 E903 Q914 Y940 E943 | L902-R906 PolarHBondContact O-N 3.19Å; E903-R906 WeakPolarHBondContact O-CA 3.3Å; E903-R906 WeakPolarHBondContact O-CB 3.34Å; E903-R906 PolarHBondContact O-N 3.23Å; R906-Q914 PolarHBondContact O-NE2 3.5Å; R906-Y940 HydrophobicContact CG-CE2 3.82Å; R906-Y940 WeakPolarHBondContact CG-OH 3.12Å; R906-E943 IonicContact CZ-OE2 2.73Å; R906-E943 VanDerWaalsContact NH1-CG 3.34Å; R906-E943 IonicContact NH1-OE2 3.41Å; R906-E943 PolarHBondContact NH1-OE2 3.35Å; R906-E943 IonicContact NH2-OE2 3.42Å; R906-E943 PolarHBondContact NH2-OE2 3.18Å |
| 907 | E | 91.7 | Very high | 93 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -70.3 | -35.9 | -178.9 | -71 | 171.7 | 165.4 | 0 | 0 | 113.5 | E903 V905 | E903-E907 WeakPolarHBondContact O-CG 3.27Å; E903-E907 PolarHBondContact O-N 3.49Å; V905-E907 VanDerWaalsContact C-N 3.34Å; V905-E907 PolarHBondContact O-N 3.1Å |
| 908 | L | 92.5 | Very high | 93 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -100 | -24.5 | -168.4 | -66.2 | 177.5 | 0 | 0 | 0 | 115.3 | L864 R865 H868 T904 | L864-L908 HydrophobicContact CB-CD1 4.02Å; R865-L908 HydrophobicContact CB-CD1 4.45Å; R865-L908 HydrophobicContact CG-CD1 3.91Å; H868-L908 HydrophobicContact CB-CB 4Å; H868-L908 HydrophobicContact CB-CD1 4.33Å; H868-L908 PolarHBondContact CD2-O 2.67Å; T904-L908 HydrophobicContact CG2-CD1 3.54Å; T904-L908 HydrophobicContact CG2-CG 4.2Å; T904-L908 WeakPolarHBondContact O-CB 3.4Å; T904-L908 VanDerWaalsContact O-CG 3.26Å; T904-L908 WeakPolarHBondContact O-CG 3.25Å; T904-L908 PolarHBondContact O-N 3.09Å |
| 909 | F | 92.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -103.6 | 136.2 | -176.2 | -70.9 | -93.1 | 0 | 0 | 0 | 111.6 | L864 H868 L871 L875 L878 V905 C911 Q914 | L864-F909 HydrophobicContact CD2-CE2 4.07Å; L864-F909 HydrophobicContact CD2-CZ 4.21Å; H868-F909 HydrophobicContact CB-CE1 4.49Å; H868-F909 HydrophobicContact CB-CE2 4.21Å; H868-F909 HydrophobicContact CB-CZ 4.08Å; H868-F909 WeakPolarHBondContact O-CE1 3.22Å; L871-F909 HydrophobicContact CB-CE1 4.05Å; L871-F909 HydrophobicContact CB-CZ 3.92Å; L875-F909 HydrophobicContact CB-CD1 4.43Å; L875-F909 HydrophobicContact CB-CE1 4.37Å; L875-F909 HydrophobicContact CD1-CB 4.34Å; L875-F909 HydrophobicContact CD1-CD1 3.89Å; L875-F909 HydrophobicContact CD1-CD2 4.05Å; L875-F909 HydrophobicContact CD1-CE1 4.16Å; L875-F909 HydrophobicContact CD1-CE2 4.32Å; L875-F909 HydrophobicContact CD1-CG 3.81Å; L875-F909 HydrophobicContact CD1-CZ 4.36Å; L875-F909 HydrophobicContact CD2-CB 4.16Å; L875-F909 HydrophobicContact CD2-CD1 3.87Å; L875-F909 HydrophobicContact CD2-CG 4.16Å; L875-F909 HydrophobicContact CG-CD1 4.28Å; L878-F909 HydrophobicContact CD2-CE2 4.44Å; V905-F909 HydrophobicContact CB-CD2 4.44Å; V905-F909 HydrophobicContact CG1-CD2 3.95Å; V905-F909 HydrophobicContact CG1-CE2 4.46Å; V905-F909 WeakPolarHBondContact O-CD2 3.38Å; V905-F909 PolarHBondContact O-N 2.99Å; F909-C911 PolarHBondContact O-N 3.49Å; F909-Q914 HydrophobicContact CB-CG 4.14Å; F909-Q914 PolarHBondContact O-NE2 3.18Å |
| 910 | P | 90.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | trans | -50.8 | 135.4 | 173.1 | -30.9 | 36.9 | 0 | 0 | 0 | 113.8 | N912 L913 Q914 | P910-N912 VanDerWaalsContact C-N 3.28Å; P910-N912 WeakPolarHBondContact CB-OD1 3.48Å; P910-N912 PolarHBondContact O-N 2.8Å; P910-L913 HydrophobicContact CB-CD1 4.34Å; P910-L913 HydrophobicContact CB-CG 4.34Å; P910-L913 HydrophobicContact CG-CD1 4.25Å; P910-L913 PolarHBondContact O-N 2.64Å; P910-L913 VanDerWaalsContact O-N 3.09Å; P910-Q914 PolarHBondContact O-N 2.88Å; P910-Q914 VanDerWaalsContact O-N 3.15Å | ||
| 911 | C | 90.5 | Very high | 92.6 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -33 | -173.4 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | F909 Q914 F915 V944 V947 | F909-C911 PolarHBondContact O-N 3.49Å; C911-Q914 WeakPolarHBondContact O-CB 3.49Å; C911-Q914 PolarHBondContact O-N 2.72Å; C911-F915 WeakPolarHBondContact O-CB 3.49Å; C911-F915 PolarHBondContact O-N 3.04Å; C911-V944 HydrophobicContact CB-CG1 4.4Å; C911-V947 HydrophobicContact CB-CG2 4.36Å |
| 912 | N | 89.6 | Confident | 92.3 | Very high | 79 Ų | 79 | 39 Ų | 39 | 42% | 0.422 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.5 | 61.1 | -27.6 | 0 | 0 | 0 | 112.3 | P910 Q914 F915 E916 | P910-N912 VanDerWaalsContact C-N 3.28Å; P910-N912 WeakPolarHBondContact CB-OD1 3.48Å; P910-N912 PolarHBondContact O-N 2.8Å; N912-Q914 VanDerWaalsContact C-N 3.35Å; N912-F915 PolarHBondContact O-N 3.46Å; N912-E916 WeakPolarHBondContact O-CB 3.45Å; N912-E916 PolarHBondContact O-N 3.39Å |
| 913 | L | 91.4 | Very high | 91.9 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 176 | -64.2 | -179.9 | 0 | 0 | 0 | 111.8 | H872 L875 P910 A917 | H872-L913 HydrophobicContact CB-CD1 4.22Å; L875-L913 HydrophobicContact CD2-CB 3.82Å; P910-L913 HydrophobicContact CB-CD1 4.34Å; P910-L913 HydrophobicContact CB-CG 4.34Å; P910-L913 HydrophobicContact CG-CD1 4.25Å; P910-L913 PolarHBondContact O-N 2.64Å; P910-L913 VanDerWaalsContact O-N 3.09Å; L913-A917 WeakPolarHBondContact O-CB 3.48Å; L913-A917 PolarHBondContact O-N 2.65Å |
| 914 | Q | 93.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 172.2 | -61.8 | -176.2 | 56.7 | 0 | 0 | 111.2 | L875 R906 F909 P910 C911 N912 A917 L918 Y940 V944 | L875-Q914 HydrophobicContact CD2-CG 4.48Å; R906-Q914 PolarHBondContact O-NE2 3.5Å; F909-Q914 HydrophobicContact CB-CG 4.14Å; F909-Q914 PolarHBondContact O-NE2 3.18Å; P910-Q914 PolarHBondContact O-N 2.88Å; P910-Q914 VanDerWaalsContact O-N 3.15Å; C911-Q914 WeakPolarHBondContact O-CB 3.49Å; C911-Q914 PolarHBondContact O-N 2.72Å; N912-Q914 VanDerWaalsContact C-N 3.35Å; Q914-A917 PolarHBondContact O-N 3.29Å; Q914-L918 VanDerWaalsContact O-CG 3.27Å; Q914-L918 WeakPolarHBondContact O-CG 3.36Å; Q914-L918 PolarHBondContact O-N 3Å; Q914-Y940 PolarHBondContact OE1-OH 3.4Å; Q914-V944 HydrophobicContact CB-CG1 4.4Å; Q914-V944 HydrophobicContact CB-CG2 4.09Å |
| 915 | F | 92.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -37.5 | 178.3 | -174.7 | -106.7 | 0 | 0 | 0 | 112.8 | C911 N912 L918 S919 M941 V944 L945 M948 L953 V959 M989 | C911-F915 WeakPolarHBondContact O-CB 3.49Å; C911-F915 PolarHBondContact O-N 3.04Å; N912-F915 PolarHBondContact O-N 3.46Å; F915-L918 PolarHBondContact O-N 3.35Å; F915-S919 WeakPolarHBondContact O-CB 3.32Å; F915-S919 PolarHBondContact O-N 3.43Å; F915-S919 PolarHBondContact O-OG 2.87Å; F915-M941 HydrophobicContact CE2-CE 4.15Å; F915-V944 HydrophobicContact CB-CG1 4Å; F915-L945 HydrophobicContact CD2-CD2 4.34Å; F915-L945 HydrophobicContact CE2-CD2 3.89Å; F915-M948 HydrophobicContact CB-SD 3.72Å; F915-M948 HydrophobicContact CD1-CE 3.98Å; F915-M948 HydrophobicContact CD1-SD 3.87Å; F915-M948 HydrophobicContact CD2-CE 4.22Å; F915-M948 HydrophobicContact CD2-SD 4.17Å; F915-M948 HydrophobicContact CE1-CE 4.08Å; F915-M948 HydrophobicContact CE2-CE 4.32Å; F915-M948 HydrophobicContact CG-CE 4.06Å; F915-M948 HydrophobicContact CG-SD 3.65Å; F915-M948 HydrophobicContact CZ-CE 4.25Å; F915-L953 HydrophobicContact CE1-CD1 4.11Å; F915-L953 HydrophobicContact CZ-CD1 4Å; F915-V959 HydrophobicContact CE1-CG2 3.86Å; F915-V959 HydrophobicContact CZ-CG2 4.48Å; F915-M989 HydrophobicContact CE2-CE 4.14Å; F915-M989 HydrophobicContact CZ-CE 4.26Å |
| 916 | E | 91.2 | Very high | 90.8 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 173.9 | -166.8 | -170.1 | -175.5 | 0 | 0 | 111.2 | N912 L918 S919 R920 | N912-E916 WeakPolarHBondContact O-CB 3.45Å; N912-E916 PolarHBondContact O-N 3.39Å; E916-L918 VanDerWaalsContact C-N 3.31Å; E916-L918 PolarHBondContact O-N 3.48Å; E916-S919 PolarHBondContact O-N 2.65Å; E916-S919 VanDerWaalsContact O-N 3.11Å; E916-R920 WeakPolarHBondContact O-CG 3.31Å; E916-R920 PolarHBondContact O-N 3.44Å; E916-R920 IonicContact OE1-CZ 2.69Å; E916-R920 IonicContact OE1-NE 3.23Å; E916-R920 IonicContact OE1-NH2 2.87Å; E916-R920 PolarHBondContact OE1-NH2 3.05Å; E916-R920 IonicContact OE2-CZ 2.72Å; E916-R920 IonicContact OE2-NH2 3.57Å; E916-R920 PolarHBondContact OE2-NH2 2.95Å; E916-R920 VanDerWaalsContact OE2-NH2 3.11Å |
| 917 | A | 92.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L875 Y876 L879 L913 Q914 Y921 | L875-A917 HydrophobicContact CG-CB 4.44Å; Y876-A917 HydrophobicContact CD2-CB 4.49Å; Y876-A917 WeakPolarHBondContact CD2-O 3.41Å; L879-A917 HydrophobicContact CD2-CB 4.38Å; L913-A917 WeakPolarHBondContact O-CB 3.48Å; L913-A917 PolarHBondContact O-N 2.65Å; Q914-A917 PolarHBondContact O-N 3.29Å; A917-Y921 PolarHBondContact O-N 3.38Å |
| 918 | L | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 172.2 | -68.2 | 164.3 | 0 | 0 | 0 | 111.2 | L879 L883 Q914 F915 E916 R920 Y921 F922 L937 Y940 M941 V944 | L879-L918 HydrophobicContact CD2-CD2 3.78Å; L879-L918 HydrophobicContact CD2-CG 3.9Å; L883-L918 HydrophobicContact CD1-CD2 4.39Å; Q914-L918 VanDerWaalsContact O-CG 3.27Å; Q914-L918 WeakPolarHBondContact O-CG 3.36Å; Q914-L918 PolarHBondContact O-N 3Å; F915-L918 PolarHBondContact O-N 3.35Å; E916-L918 VanDerWaalsContact C-N 3.31Å; E916-L918 PolarHBondContact O-N 3.48Å; L918-R920 VanDerWaalsContact C-N 3.32Å; L918-R920 PolarHBondContact O-N 2.88Å; L918-Y921 WeakPolarHBondContact O-CA 3.4Å; L918-Y921 WeakPolarHBondContact O-CB 3.32Å; L918-Y921 PolarHBondContact O-N 3.19Å; L918-F922 VanDerWaalsContact O-CD2 3.28Å; L918-F922 WeakPolarHBondContact O-CD2 3.39Å; L918-F922 PolarHBondContact O-N 3.22Å; L918-L937 HydrophobicContact CD2-CD2 4.17Å; L918-Y940 HydrophobicContact CD1-CD1 3.89Å; L918-Y940 HydrophobicContact CD1-CE1 4.38Å; L918-Y940 HydrophobicContact CD2-CD1 4.2Å; L918-Y940 HydrophobicContact CG-CD1 4.5Å; L918-M941 HydrophobicContact CB-CE 4.25Å; L918-M941 HydrophobicContact CD1-CB 4.17Å; L918-V944 HydrophobicContact CD1-CG2 4.29Å |
| 919 | S | 91.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | F915 E916 Y921 F922 A923 | F915-S919 WeakPolarHBondContact O-CB 3.32Å; F915-S919 PolarHBondContact O-N 3.43Å; F915-S919 PolarHBondContact O-OG 2.87Å; E916-S919 PolarHBondContact O-N 2.65Å; E916-S919 VanDerWaalsContact O-N 3.11Å; S919-Y921 VanDerWaalsContact C-N 3.34Å; S919-Y921 PolarHBondContact O-N 3.06Å; S919-F922 PolarHBondContact O-N 2.95Å; S919-A923 VanDerWaalsContact O-CB 3.3Å; S919-A923 WeakPolarHBondContact O-CB 3.17Å; S919-A923 PolarHBondContact O-N 3.48Å |
| 920 | R | 91.4 | Very high | 89.7 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 171.6 | -66.8 | -177.1 | -158.8 | 147.2 | -1.8 | 112.4 | Y876 E916 L918 A923 D924 | Y876-R920 HydrophobicContact CD2-CB 4.23Å; Y876-R920 HydrophobicContact CE2-CB 4Å; E916-R920 WeakPolarHBondContact O-CG 3.31Å; E916-R920 PolarHBondContact O-N 3.44Å; E916-R920 IonicContact OE1-CZ 2.69Å; E916-R920 IonicContact OE1-NE 3.23Å; E916-R920 IonicContact OE1-NH2 2.87Å; E916-R920 PolarHBondContact OE1-NH2 3.05Å; E916-R920 IonicContact OE2-CZ 2.72Å; E916-R920 IonicContact OE2-NH2 3.57Å; E916-R920 PolarHBondContact OE2-NH2 2.95Å; E916-R920 VanDerWaalsContact OE2-NH2 3.11Å; L918-R920 VanDerWaalsContact C-N 3.32Å; L918-R920 PolarHBondContact O-N 2.88Å; R920-A923 PolarHBondContact O-N 2.93Å; R920-D924 WeakPolarHBondContact O-CB 3.08Å; R920-D924 PolarHBondContact O-N 2.92Å |
| 921 | Y | 91.5 | Very high | 89.8 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.6 | -174.4 | -86.3 | 0 | 0 | 0 | 112.6 | C880 A917 L918 S919 A923 Q927 P929 M933 L937 | C880-Y921 WeakPolarHBondContact SG-CD2 3.29Å; A917-Y921 PolarHBondContact O-N 3.38Å; L918-Y921 WeakPolarHBondContact O-CA 3.4Å; L918-Y921 WeakPolarHBondContact O-CB 3.32Å; L918-Y921 PolarHBondContact O-N 3.19Å; S919-Y921 VanDerWaalsContact C-N 3.34Å; S919-Y921 PolarHBondContact O-N 3.06Å; Y921-A923 VanDerWaalsContact C-N 3.31Å; Y921-Q927 HydrophobicContact CD2-CG 3.79Å; Y921-Q927 HydrophobicContact CE1-CB 3.99Å; Y921-Q927 HydrophobicContact CE1-CG 4.24Å; Y921-Q927 HydrophobicContact CE2-CB 4.01Å; Y921-Q927 HydrophobicContact CE2-CG 3.48Å; Y921-Q927 VanDerWaalsContact CE2-CG 3.48Å; Y921-Q927 HydrophobicContact CG-CG 4.34Å; Y921-Q927 PolarHBondContact OH-OE1 3.11Å; Y921-P929 HydrophobicContact CE1-CB 4.47Å; Y921-P929 HydrophobicContact CE1-CG 4.4Å; Y921-M933 HydrophobicContact CE1-CE 4.37Å; Y921-M933 HydrophobicContact CE2-CE 4.09Å; Y921-L937 HydrophobicContact CD1-CD1 3.69Å; Y921-L937 HydrophobicContact CD1-CD2 3.63Å; Y921-L937 HydrophobicContact CD1-CG 4.34Å; Y921-L937 HydrophobicContact CE1-CD1 3.25Å; Y921-L937 HydrophobicContact CE1-CD2 3.95Å; Y921-L937 HydrophobicContact CE1-CG 4.24Å; Y921-L937 HydrophobicContact CG-CD2 4.19Å |
| 922 | F | 90.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.3 | -27.4 | 176.4 | -79.5 | -88.2 | 0 | 0 | 0 | 112.6 | L918 S919 L937 L938 M941 A962 R965 V966 W969 | L918-F922 VanDerWaalsContact O-CD2 3.28Å; L918-F922 WeakPolarHBondContact O-CD2 3.39Å; L918-F922 PolarHBondContact O-N 3.22Å; S919-F922 PolarHBondContact O-N 2.95Å; F922-L937 HydrophobicContact CE2-CB 4.31Å; F922-L937 HydrophobicContact CZ-CB 4.03Å; F922-L938 HydrophobicContact CZ-CD2 4.35Å; F922-M941 HydrophobicContact CD2-CE 3.65Å; F922-M941 HydrophobicContact CE2-CE 3.41Å; F922-M941 VanDerWaalsContact CE2-CE 3.41Å; F922-M941 HydrophobicContact CE2-SD 4.03Å; F922-M941 HydrophobicContact CZ-CE 4.19Å; F922-M941 HydrophobicContact CZ-SD 4.26Å; F922-A962 HydrophobicContact CB-CB 3.7Å; F922-A962 HydrophobicContact CG-CB 4.3Å; F922-R965 HydrophobicContact CB-CB 4.43Å; F922-R965 HydrophobicContact CD1-CB 3.9Å; F922-R965 HydrophobicContact CD1-CG 3.81Å; F922-V966 HydrophobicContact CD1-CG2 4.4Å; F922-V966 HydrophobicContact CE1-CG2 3.96Å; F922-V966 HydrophobicContact CZ-CG2 4.35Å; F922-W969 HydrophobicContact CD1-CH2 4.03Å; F922-W969 HydrophobicContact CD1-CZ3 4.25Å; F922-W969 AromaticContact CE1-CE3 3.93Å; F922-W969 HydrophobicContact CE1-CE3 3.93Å; F922-W969 AromaticContact CE1-CH2 3.52Å; F922-W969 HydrophobicContact CE1-CH2 3.52Å; F922-W969 HydrophobicContact CE1-CZ2 4.31Å; F922-W969 AromaticContact CE1-CZ3 3.32Å; F922-W969 HydrophobicContact CE1-CZ3 3.32Å; F922-W969 HydrophobicContact CZ-CH2 4.3Å; F922-W969 AromaticContact CZ-CZ3 3.9Å; F922-W969 HydrophobicContact CZ-CZ3 3.9Å |
| 923 | A | 86.8 | Confident | 90 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.9 | -28.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S919 R920 Y921 P925 D958 L961 | S919-A923 VanDerWaalsContact O-CB 3.3Å; S919-A923 WeakPolarHBondContact O-CB 3.17Å; S919-A923 PolarHBondContact O-N 3.48Å; R920-A923 PolarHBondContact O-N 2.93Å; Y921-A923 VanDerWaalsContact C-N 3.31Å; A923-P925 VanDerWaalsContact O-CD 3.3Å; A923-P925 WeakPolarHBondContact O-CD 3.38Å; A923-D958 HydrophobicContact CB-CB 4.29Å; A923-L961 HydrophobicContact CB-CB 3.78Å; A923-L961 HydrophobicContact CB-CD1 3.81Å; A923-L961 HydrophobicContact CB-CG 4.46Å |
| 924 | D | 87 | Confident | 90.1 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | trans | -66.1 | 112.3 | -179.7 | 178.9 | -2.1 | 0 | 0 | 0 | 111.5 | Y876 R920 V926 Q927 | Y876-D924 PolarHBondContact OH-OD2 3.34Å; R920-D924 WeakPolarHBondContact O-CB 3.08Å; R920-D924 PolarHBondContact O-N 2.92Å; D924-V926 PolarHBondContact O-N 2.87Å; D924-V926 VanDerWaalsContact OD1-CB 3.28Å; D924-V926 WeakPolarHBondContact OD1-CB 3.49Å; D924-V926 WeakPolarHBondContact OD1-CG2 3.22Å; D924-V926 PolarHBondContact OD1-N 3.36Å; D924-Q927 HydrophobicContact CB-CG 3.76Å; D924-Q927 PolarHBondContact O-N 3.25Å; D924-Q927 WeakPolarHBondContact OD2-CG 3.43Å; D924-Q927 PolarHBondContact OD2-NE2 3.01Å | ||
| 925 | P | 84.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 75% | 0.747 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.2 | -177.5 | 31.5 | -36.2 | 0 | 0 | 0 | 113.3 | A923 Q927 | A923-P925 VanDerWaalsContact O-CD 3.3Å; A923-P925 WeakPolarHBondContact O-CD 3.38Å; P925-Q927 VanDerWaalsContact C-N 3.31Å |
| 926 | V | 86.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 70% | 0.697 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -22.6 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | D924 T928 | D924-V926 PolarHBondContact O-N 2.87Å; D924-V926 VanDerWaalsContact OD1-CB 3.28Å; D924-V926 WeakPolarHBondContact OD1-CB 3.49Å; D924-V926 WeakPolarHBondContact OD1-CG2 3.22Å; D924-V926 PolarHBondContact OD1-N 3.36Å; V926-T928 PolarHBondContact O-N 2.96Å |
| 927 | Q | 84.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | trans | -72.8 | 116.9 | 178.9 | -58.3 | -56.6 | -33.4 | 0 | 0 | 111.9 | Y921 D924 P925 P929 | Y921-Q927 HydrophobicContact CD2-CG 3.79Å; Y921-Q927 HydrophobicContact CE1-CB 3.99Å; Y921-Q927 HydrophobicContact CE1-CG 4.24Å; Y921-Q927 HydrophobicContact CE2-CB 4.01Å; Y921-Q927 HydrophobicContact CE2-CG 3.48Å; Y921-Q927 VanDerWaalsContact CE2-CG 3.48Å; Y921-Q927 HydrophobicContact CG-CG 4.34Å; Y921-Q927 PolarHBondContact OH-OE1 3.11Å; D924-Q927 HydrophobicContact CB-CG 3.76Å; D924-Q927 PolarHBondContact O-N 3.25Å; D924-Q927 WeakPolarHBondContact OD2-CG 3.43Å; D924-Q927 PolarHBondContact OD2-NE2 3.01Å; P925-Q927 VanDerWaalsContact C-N 3.31Å; Q927-P929 WeakPolarHBondContact O-CD 3.48Å | ||
| 928 | T | 85.8 | Confident | 90.4 | Very high | 124 Ų | 124 | 46.2 Ų | 46.2 | 76% | 0.761 | 25% | 0.249 | S | C | * | . | trans | -115.6 | 66.4 | 178.3 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | V926 N930 | V926-T928 PolarHBondContact O-N 2.96Å; T928-N930 PolarHBondContact O-N 3Å | ||
| 929 | P | 89.1 | Confident | 90.4 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | trans | -63.2 | 129.9 | -174.4 | 26 | -35.2 | 0 | 0 | 0 | 112.4 | Y921 Q927 M933 K934 L937 W969 | Y921-P929 HydrophobicContact CE1-CB 4.47Å; Y921-P929 HydrophobicContact CE1-CG 4.4Å; Q927-P929 WeakPolarHBondContact O-CD 3.48Å; P929-M933 HydrophobicContact CB-CB 3.8Å; P929-M933 HydrophobicContact CB-CG 3.56Å; P929-K934 HydrophobicContact CB-CG 4Å; P929-K934 HydrophobicContact CG-CG 3.98Å; P929-K934 WeakPolarHBondContact O-CE 3.41Å; P929-L937 HydrophobicContact CB-CD1 4.15Å; P929-W969 HydrophobicContact CG-CH2 3.83Å; P929-W969 HydrophobicContact CG-CZ2 3.73Å | ||
| 930 | N | 90.1 | Very high | 90.5 | Very high | 91 Ų | 91 | 50.2 Ų | 50.2 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | trans | -68.1 | 171.1 | 170.2 | 74.3 | 33.6 | 0 | 0 | 0 | 111.4 | T928 K932 M933 K934 | T928-N930 PolarHBondContact O-N 3Å; N930-K932 VanDerWaalsContact C-N 3.33Å; N930-K932 PolarHBondContact O-N 3.33Å; N930-K932 PolarHBondContact OD1-N 2.88Å; N930-K932 VanDerWaalsContact OD1-N 3.07Å; N930-M933 WeakPolarHBondContact O-CB 3.17Å; N930-M933 PolarHBondContact O-N 3.07Å; N930-M933 VanDerWaalsContact O-N 3.07Å; N930-M933 PolarHBondContact OD1-N 3.17Å; N930-K934 WeakPolarHBondContact O-CG 3.44Å; N930-K934 PolarHBondContact O-N 3.01Å | ||
| 931 | L | 92.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.7 | -39.7 | -175.7 | -64.2 | 173.4 | 0 | 0 | 0 | 113.7 | L935 E972 K974 I978 | L931-L935 PolarHBondContact O-N 3Å; L931-L935 VanDerWaalsContact O-N 3.17Å; L931-E972 HydrophobicContact CD2-CG 4.24Å; L931-K974 HydrophobicContact CD1-CB 3.78Å; L931-K974 HydrophobicContact CD1-CD 4.19Å; L931-K974 HydrophobicContact CD2-CB 4.02Å; L931-I978 HydrophobicContact CB-CD1 4.24Å; L931-I978 HydrophobicContact CD2-CD1 3.7Å |
| 932 | K | 91.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.8 | -69 | -179.4 | 179.4 | 175.1 | 0 | 110.7 | E889 N930 L935 N936 | E889-K932 IonicContact OE1-NZ 3.39Å; E889-K932 PolarHBondContact OE1-NZ 3.4Å; N930-K932 VanDerWaalsContact C-N 3.33Å; N930-K932 PolarHBondContact O-N 3.33Å; N930-K932 PolarHBondContact OD1-N 2.88Å; N930-K932 VanDerWaalsContact OD1-N 3.07Å; K932-L935 PolarHBondContact O-N 3.26Å; K932-N936 WeakPolarHBondContact O-CB 3.18Å; K932-N936 VanDerWaalsContact O-CG 3.22Å; K932-N936 PolarHBondContact O-N 3.47Å; K932-N936 PolarHBondContact O-ND2 3.24Å |
| 933 | M | 92.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 178.3 | -173.2 | 65 | 175.8 | 0 | 0 | 112.3 | L883 A884 S887 Y921 P929 N930 L935 N936 L937 | L883-M933 HydrophobicContact CB-CE 3.8Å; L883-M933 HydrophobicContact CB-SD 3.91Å; L883-M933 VanDerWaalsContact O-SD 3.41Å; A884-M933 HydrophobicContact CB-CE 4.35Å; A884-M933 HydrophobicContact CB-SD 4.42Å; S887-M933 WeakPolarHBondContact OG-CA 3.44Å; S887-M933 WeakPolarHBondContact OG-CB 3.41Å; S887-M933 PolarHBondContact OG-N 2.95Å; S887-M933 PolarHBondContact OG-SD 3.49Å; Y921-M933 HydrophobicContact CE1-CE 4.37Å; Y921-M933 HydrophobicContact CE2-CE 4.09Å; P929-M933 HydrophobicContact CB-CB 3.8Å; P929-M933 HydrophobicContact CB-CG 3.56Å; N930-M933 WeakPolarHBondContact O-CB 3.17Å; N930-M933 PolarHBondContact O-N 3.07Å; N930-M933 VanDerWaalsContact O-N 3.07Å; N930-M933 PolarHBondContact OD1-N 3.17Å; M933-L935 VanDerWaalsContact C-N 3.31Å; M933-L935 PolarHBondContact O-N 3.45Å; M933-N936 PolarHBondContact O-N 2.81Å; M933-L937 HydrophobicContact CE-CD1 4.14Å; M933-L937 HydrophobicContact CE-CD2 4.3Å; M933-L937 HydrophobicContact CE-CG 4.22Å; M933-L937 HydrophobicContact CG-CD1 3.88Å; M933-L937 HydrophobicContact CG-CG 4.48Å; M933-L937 WeakPolarHBondContact O-CB 3.17Å; M933-L937 WeakPolarHBondContact O-CD1 3.25Å; M933-L937 VanDerWaalsContact O-CG 3.28Å; M933-L937 WeakPolarHBondContact O-CG 3.33Å; M933-L937 PolarHBondContact O-N 3.25Å; M933-L937 HydrophobicContact SD-CD1 4.48Å |
| 934 | K | 93.6 | Very high | 91.1 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 173.9 | -69.6 | -170.6 | -179.8 | -169.7 | 0 | 111.7 | P929 N930 L938 W969 E972 I978 | P929-K934 HydrophobicContact CB-CG 4Å; P929-K934 HydrophobicContact CG-CG 3.98Å; P929-K934 WeakPolarHBondContact O-CE 3.41Å; N930-K934 WeakPolarHBondContact O-CG 3.44Å; N930-K934 PolarHBondContact O-N 3.01Å; K934-L938 VanDerWaalsContact O-CG 3.29Å; K934-L938 WeakPolarHBondContact O-CG 3.39Å; K934-L938 PolarHBondContact O-N 3.02Å; K934-W969 HydrophobicContact CB-CE3 4.01Å; K934-W969 HydrophobicContact CB-CH2 4.1Å; K934-W969 HydrophobicContact CB-CZ3 3.75Å; K934-W969 HydrophobicContact CD-CD2 3.93Å; K934-W969 HydrophobicContact CD-CE3 4.26Å; K934-W969 HydrophobicContact CD-CG 4.44Å; K934-W969 HydrophobicContact CD-CH2 4.38Å; K934-W969 HydrophobicContact CD-CZ2 4.06Å; K934-W969 HydrophobicContact CD-CZ3 4.45Å; K934-W969 HydrophobicContact CG-CD2 4.23Å; K934-W969 HydrophobicContact CG-CE3 4.13Å; K934-W969 HydrophobicContact CG-CH2 3.7Å; K934-W969 HydrophobicContact CG-CZ2 3.79Å; K934-W969 HydrophobicContact CG-CZ3 3.85Å; K934-E972 IonicContact NZ-OE2 3.21Å; K934-E972 PolarHBondContact NZ-OE2 3.32Å; K934-I978 HydrophobicContact CB-CD1 3.73Å; K934-I978 HydrophobicContact CB-CG1 4.32Å; K934-I978 HydrophobicContact CD-CD1 4.06Å |
| 935 | L | 93.4 | Very high | 91.3 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 18% | 0.183 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 178.9 | -175.3 | 62.1 | 0 | 0 | 0 | 111.8 | L931 K932 M933 L937 L938 N939 E977 I978 A981 | L931-L935 PolarHBondContact O-N 3Å; L931-L935 VanDerWaalsContact O-N 3.17Å; K932-L935 PolarHBondContact O-N 3.26Å; M933-L935 VanDerWaalsContact C-N 3.31Å; M933-L935 PolarHBondContact O-N 3.45Å; L935-L937 PolarHBondContact O-N 3.09Å; L935-L938 PolarHBondContact O-N 3.22Å; L935-N939 WeakPolarHBondContact O-CB 3.35Å; L935-N939 PolarHBondContact O-N 2.93Å; L935-E977 HydrophobicContact CD1-CB 3.93Å; L935-E977 HydrophobicContact CD2-CB 4.28Å; L935-E977 WeakPolarHBondContact CD2-OE2 3.39Å; L935-I978 HydrophobicContact CB-CG1 4.2Å; L935-A981 HydrophobicContact CD1-CB 4.3Å |
| 936 | N | 92.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.6 | -70.2 | -25 | 0 | 0 | 0 | 112 | L883 S887 K932 M933 N939 Y940 | L883-N936 HydrophobicContact CD2-CB 4.33Å; S887-N936 PolarHBondContact OG-ND2 2.92Å; K932-N936 WeakPolarHBondContact O-CB 3.18Å; K932-N936 VanDerWaalsContact O-CG 3.22Å; K932-N936 PolarHBondContact O-N 3.47Å; K932-N936 PolarHBondContact O-ND2 3.24Å; M933-N936 PolarHBondContact O-N 2.81Å; N936-N939 PolarHBondContact O-N 2.73Å; N936-Y940 WeakPolarHBondContact O-CB 3.47Å; N936-Y940 PolarHBondContact O-N 2.55Å |
| 937 | L | 94.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 174.8 | -74.6 | 158.3 | 0 | 0 | 0 | 112.5 | L883 L918 Y921 F922 P929 M933 L935 Y940 M941 W969 | L883-L937 HydrophobicContact CD1-CD2 3.75Å; L883-L937 HydrophobicContact CD1-CG 4.38Å; L918-L937 HydrophobicContact CD2-CD2 4.17Å; Y921-L937 HydrophobicContact CD1-CD1 3.69Å; Y921-L937 HydrophobicContact CD1-CD2 3.63Å; Y921-L937 HydrophobicContact CD1-CG 4.34Å; Y921-L937 HydrophobicContact CE1-CD1 3.25Å; Y921-L937 HydrophobicContact CE1-CD2 3.95Å; Y921-L937 HydrophobicContact CE1-CG 4.24Å; Y921-L937 HydrophobicContact CG-CD2 4.19Å; F922-L937 HydrophobicContact CE2-CB 4.31Å; F922-L937 HydrophobicContact CZ-CB 4.03Å; P929-L937 HydrophobicContact CB-CD1 4.15Å; M933-L937 HydrophobicContact CE-CD1 4.14Å; M933-L937 HydrophobicContact CE-CD2 4.3Å; M933-L937 HydrophobicContact CE-CG 4.22Å; M933-L937 HydrophobicContact CG-CD1 3.88Å; M933-L937 HydrophobicContact CG-CG 4.48Å; M933-L937 WeakPolarHBondContact O-CB 3.17Å; M933-L937 WeakPolarHBondContact O-CD1 3.25Å; M933-L937 VanDerWaalsContact O-CG 3.28Å; M933-L937 WeakPolarHBondContact O-CG 3.33Å; M933-L937 PolarHBondContact O-N 3.25Å; M933-L937 HydrophobicContact SD-CD1 4.48Å; L935-L937 PolarHBondContact O-N 3.09Å; L937-Y940 PolarHBondContact O-N 3.05Å; L937-M941 VanDerWaalsContact O-CB 3.28Å; L937-M941 WeakPolarHBondContact O-CB 3.29Å; L937-M941 PolarHBondContact O-N 3.03Å; L937-W969 HydrophobicContact CD1-CH2 4.22Å |
| 938 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.8 | -72.2 | 169.2 | 0 | 0 | 0 | 111.9 | F922 K934 L935 N942 V966 W969 I978 A981 S982 | F922-L938 HydrophobicContact CZ-CD2 4.35Å; K934-L938 VanDerWaalsContact O-CG 3.29Å; K934-L938 WeakPolarHBondContact O-CG 3.39Å; K934-L938 PolarHBondContact O-N 3.02Å; L935-L938 PolarHBondContact O-N 3.22Å; L938-N942 WeakPolarHBondContact O-CB 3.25Å; L938-N942 PolarHBondContact O-N 3.17Å; L938-N942 PolarHBondContact O-ND2 2.76Å; L938-V966 HydrophobicContact CD2-CG1 4.44Å; L938-V966 HydrophobicContact CD2-CG2 4.25Å; L938-W969 HydrophobicContact CD1-CE3 3.91Å; L938-W969 HydrophobicContact CD1-CZ3 4.48Å; L938-W969 HydrophobicContact CD2-CE3 4.12Å; L938-W969 HydrophobicContact CD2-CZ3 4.48Å; L938-W969 HydrophobicContact CG-CE3 3.93Å; L938-W969 HydrophobicContact CG-CZ3 4.13Å; L938-I978 HydrophobicContact CD1-CB 4.42Å; L938-I978 HydrophobicContact CD1-CG2 3.81Å; L938-A981 HydrophobicContact CB-CB 3.77Å; L938-A981 HydrophobicContact CD1-CB 3.94Å; L938-A981 HydrophobicContact CG-CB 4.47Å; L938-S982 WeakPolarHBondContact CD1-OG 3.27Å |
| 939 | N | 94 | Very high | 91.5 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -48.8 | 177.4 | -70 | -10.1 | 0 | 0 | 0 | 110.4 | L935 N936 M941 N942 E943 | L935-N939 WeakPolarHBondContact O-CB 3.35Å; L935-N939 PolarHBondContact O-N 2.93Å; N936-N939 PolarHBondContact O-N 2.73Å; N939-M941 VanDerWaalsContact C-N 3.33Å; N939-M941 PolarHBondContact O-N 2.9Å; N939-N942 PolarHBondContact O-N 3.24Å; N939-E943 WeakPolarHBondContact O-CG 3.48Å; N939-E943 PolarHBondContact O-N 3.24Å |
| 940 | Y | 94.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 177.4 | -162.8 | -75.2 | 0 | 0 | 0 | 111.9 | L879 L883 L902 R906 Q914 L918 N936 L937 E943 V944 | L879-Y940 HydrophobicContact CD1-CD1 4.27Å; L879-Y940 HydrophobicContact CD1-CD2 4.24Å; L879-Y940 HydrophobicContact CD1-CE1 3.82Å; L879-Y940 HydrophobicContact CD1-CE2 3.76Å; L879-Y940 HydrophobicContact CD1-CG 4.47Å; L879-Y940 HydrophobicContact CD2-CD1 4.48Å; L879-Y940 HydrophobicContact CD2-CE1 4.08Å; L883-Y940 HydrophobicContact CD2-CD2 4.1Å; L883-Y940 HydrophobicContact CD2-CG 4.4Å; L902-Y940 HydrophobicContact CD2-CD2 4.16Å; L902-Y940 HydrophobicContact CD2-CE2 3.85Å; R906-Y940 HydrophobicContact CG-CE2 3.82Å; R906-Y940 WeakPolarHBondContact CG-OH 3.12Å; Q914-Y940 PolarHBondContact OE1-OH 3.4Å; L918-Y940 HydrophobicContact CD1-CD1 3.89Å; L918-Y940 HydrophobicContact CD1-CE1 4.38Å; L918-Y940 HydrophobicContact CD2-CD1 4.2Å; L918-Y940 HydrophobicContact CG-CD1 4.5Å; N936-Y940 WeakPolarHBondContact O-CB 3.47Å; N936-Y940 PolarHBondContact O-N 2.55Å; L937-Y940 PolarHBondContact O-N 3.05Å; Y940-E943 PolarHBondContact O-N 2.94Å; Y940-V944 HydrophobicContact CD1-CG2 3.9Å; Y940-V944 HydrophobicContact CE1-CG2 3.68Å; Y940-V944 WeakPolarHBondContact O-CG2 3.34Å; Y940-V944 PolarHBondContact O-N 3.48Å |
| 941 | M | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -44 | 174.1 | 177.2 | 176.9 | -90.4 | 0 | 0 | 112.5 | F915 L918 F922 L937 N939 E943 V944 L945 V966 M989 | F915-M941 HydrophobicContact CE2-CE 4.15Å; L918-M941 HydrophobicContact CB-CE 4.25Å; L918-M941 HydrophobicContact CD1-CB 4.17Å; F922-M941 HydrophobicContact CD2-CE 3.65Å; F922-M941 HydrophobicContact CE2-CE 3.41Å; F922-M941 VanDerWaalsContact CE2-CE 3.41Å; F922-M941 HydrophobicContact CE2-SD 4.03Å; F922-M941 HydrophobicContact CZ-CE 4.19Å; F922-M941 HydrophobicContact CZ-SD 4.26Å; L937-M941 VanDerWaalsContact O-CB 3.28Å; L937-M941 WeakPolarHBondContact O-CB 3.29Å; L937-M941 PolarHBondContact O-N 3.03Å; N939-M941 VanDerWaalsContact C-N 3.33Å; N939-M941 PolarHBondContact O-N 2.9Å; M941-E943 VanDerWaalsContact C-N 3.32Å; M941-E943 PolarHBondContact O-N 3.31Å; M941-V944 PolarHBondContact O-N 3.44Å; M941-L945 HydrophobicContact CG-CD1 3.95Å; M941-L945 HydrophobicContact CG-CG 4.36Å; M941-L945 WeakPolarHBondContact O-CB 3.48Å; M941-L945 VanDerWaalsContact O-CG 3.25Å; M941-L945 WeakPolarHBondContact O-CG 3.41Å; M941-L945 PolarHBondContact O-N 2.91Å; M941-V966 HydrophobicContact SD-CG2 4.21Å; M941-M989 HydrophobicContact CE-CE 4.29Å; M941-M989 HydrophobicContact SD-CE 3.74Å |
| 942 | N | 93.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.5 | -84.9 | -72.6 | 0 | 0 | 0 | 111.5 | L938 N939 L945 H946 A981 N984 A985 N988 | L938-N942 WeakPolarHBondContact O-CB 3.25Å; L938-N942 PolarHBondContact O-N 3.17Å; L938-N942 PolarHBondContact O-ND2 2.76Å; N939-N942 PolarHBondContact O-N 3.24Å; N942-L945 PolarHBondContact O-N 3.3Å; N942-H946 PolarHBondContact O-N 3.09Å; N942-H946 PolarHBondContact O-ND1 2.89Å; N942-A981 PolarHBondContact ND2-O 3.5Å; N942-N984 VanDerWaalsContact OD1-C 3.27Å; N942-N984 PolarHBondContact OD1-ND2 3.44Å; N942-A985 VanDerWaalsContact OD1-CA 3.27Å; N942-A985 WeakPolarHBondContact OD1-CA 3.2Å; N942-A985 PolarHBondContact OD1-N 2.98Å; N942-A985 VanDerWaalsContact OD1-N 3.07Å; N942-N988 PolarHBondContact OD1-ND2 2.89Å |
| 943 | E | 91.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 35 Ų | 35 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -44 | 177 | -68.1 | -71.2 | 130.8 | 0 | 0 | 112.3 | R906 N939 Y940 M941 L945 H946 | R906-E943 IonicContact CZ-OE2 2.73Å; R906-E943 VanDerWaalsContact NH1-CG 3.34Å; R906-E943 IonicContact NH1-OE2 3.41Å; R906-E943 PolarHBondContact NH1-OE2 3.35Å; R906-E943 IonicContact NH2-OE2 3.42Å; R906-E943 PolarHBondContact NH2-OE2 3.18Å; N939-E943 WeakPolarHBondContact O-CG 3.48Å; N939-E943 PolarHBondContact O-N 3.24Å; Y940-E943 PolarHBondContact O-N 2.94Å; M941-E943 VanDerWaalsContact C-N 3.32Å; M941-E943 PolarHBondContact O-N 3.31Å; E943-L945 VanDerWaalsContact C-N 3.35Å; E943-L945 PolarHBondContact O-N 3.34Å; E943-H946 PolarHBondContact O-N 3.11Å |
| 944 | V | 92.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | C911 Q914 F915 L918 Y940 M941 H946 V947 M948 | C911-V944 HydrophobicContact CB-CG1 4.4Å; Q914-V944 HydrophobicContact CB-CG1 4.4Å; Q914-V944 HydrophobicContact CB-CG2 4.09Å; F915-V944 HydrophobicContact CB-CG1 4Å; L918-V944 HydrophobicContact CD1-CG2 4.29Å; Y940-V944 HydrophobicContact CD1-CG2 3.9Å; Y940-V944 HydrophobicContact CE1-CG2 3.68Å; Y940-V944 WeakPolarHBondContact O-CG2 3.34Å; Y940-V944 PolarHBondContact O-N 3.48Å; M941-V944 PolarHBondContact O-N 3.44Å; V944-H946 PolarHBondContact O-N 2.84Å; V944-V947 WeakPolarHBondContact O-CG2 3.3Å; V944-V947 PolarHBondContact O-N 2.64Å; V944-M948 WeakPolarHBondContact O-CB 3.43Å; V944-M948 PolarHBondContact O-N 3.28Å |
| 945 | L | 91.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -21.6 | 178.3 | -72.2 | 169 | 0 | 0 | 0 | 114.1 | F915 M941 N942 E943 M948 A985 N988 M989 L992 | F915-L945 HydrophobicContact CD2-CD2 4.34Å; F915-L945 HydrophobicContact CE2-CD2 3.89Å; M941-L945 HydrophobicContact CG-CD1 3.95Å; M941-L945 HydrophobicContact CG-CG 4.36Å; M941-L945 WeakPolarHBondContact O-CB 3.48Å; M941-L945 VanDerWaalsContact O-CG 3.25Å; M941-L945 WeakPolarHBondContact O-CG 3.41Å; M941-L945 PolarHBondContact O-N 2.91Å; N942-L945 PolarHBondContact O-N 3.3Å; E943-L945 VanDerWaalsContact C-N 3.35Å; E943-L945 PolarHBondContact O-N 3.34Å; L945-M948 HydrophobicContact CD2-CE 3.89Å; L945-A985 HydrophobicContact CD1-CB 4.4Å; L945-N988 HydrophobicContact CB-CB 4.12Å; L945-N988 HydrophobicContact CD1-CB 4.13Å; L945-M989 HydrophobicContact CD1-CE 4.17Å; L945-M989 HydrophobicContact CD1-CG 3.87Å; L945-M989 HydrophobicContact CD2-CG 3.9Å; L945-L992 HydrophobicContact CD2-CD2 4.21Å |
| 946 | H | 87.8 | Confident | 89.4 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.4 | 177.4 | -78.3 | 68.7 | 0 | 0 | 0 | 113.9 | N942 E943 V944 N988 N1033 | N942-H946 PolarHBondContact O-N 3.09Å; N942-H946 PolarHBondContact O-ND1 2.89Å; E943-H946 PolarHBondContact O-N 3.11Å; V944-H946 PolarHBondContact O-N 2.84Å; H946-N988 PolarHBondContact CE1-ND2 2.84Å; H946-N1033 PolarHBondContact O-ND2 2.99Å |
| 947 | V | 87.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -10.7 | -180 | -66.8 | 0 | 0 | 0 | 0 | 113.5 | C911 V944 N1036 | C911-V947 HydrophobicContact CB-CG2 4.36Å; V944-V947 WeakPolarHBondContact O-CG2 3.3Å; V944-V947 PolarHBondContact O-N 2.64Å; V947-N1036 PolarHBondContact O-ND2 3.01Å |
| 948 | M | 87.3 | Confident | 89.1 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -69.2 | 146 | 177.5 | -169.8 | 162.7 | 86 | 0 | 0 | 111.5 | F915 V944 L945 L953 L992 | F915-M948 HydrophobicContact CB-SD 3.72Å; F915-M948 HydrophobicContact CD1-CE 3.98Å; F915-M948 HydrophobicContact CD1-SD 3.87Å; F915-M948 HydrophobicContact CD2-CE 4.22Å; F915-M948 HydrophobicContact CD2-SD 4.17Å; F915-M948 HydrophobicContact CE1-CE 4.08Å; F915-M948 HydrophobicContact CE2-CE 4.32Å; F915-M948 HydrophobicContact CG-CE 4.06Å; F915-M948 HydrophobicContact CG-SD 3.65Å; F915-M948 HydrophobicContact CZ-CE 4.25Å; V944-M948 WeakPolarHBondContact O-CB 3.43Å; V944-M948 PolarHBondContact O-N 3.28Å; L945-M948 HydrophobicContact CD2-CE 3.89Å; M948-L953 HydrophobicContact CE-CB 4.21Å; M948-L953 HydrophobicContact CE-CD1 4.38Å; M948-L992 HydrophobicContact CB-CD2 4.18Å; M948-L992 HydrophobicContact CE-CD2 3.38Å; M948-L992 HydrophobicContact CG-CD2 4.26Å; M948-L992 WeakPolarHBondContact O-CD1 3.18Å |
| 949 | E | 84.2 | Confident | 89 | Confident | 107 Ų | 107 | 46.7 Ų | 46.7 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | trans | -78.5 | 150.9 | 173.8 | -70.9 | -173.6 | -176.5 | 0 | 0 | 112.6 | S951 S952 | E949-S951 WeakPolarHBondContact CB-OG 3.45Å; E949-S951 PolarHBondContact O-N 2.9Å; E949-S951 VanDerWaalsContact O-N 3.14Å; E949-S951 PolarHBondContact OE2-OG 3.19Å; E949-S952 WeakPolarHBondContact O-CB 3.2Å; E949-S952 PolarHBondContact O-N 2.98Å | ||
| 950 | P | 84.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -54.5 | -31.5 | 173.1 | -27.4 | 35.7 | 0 | 0 | 0 | 114.2 | S952 L992 N993 | P950-S952 VanDerWaalsContact C-N 3.28Å; P950-S952 PolarHBondContact O-N 3.18Å; P950-L992 WeakPolarHBondContact CB-O 3.46Å; P950-L992 HydrophobicContact CG-CD1 4.12Å; P950-L992 WeakPolarHBondContact CG-O 3.29Å; P950-N993 HydrophobicContact CB-CB 4.31Å; P950-N993 PolarHBondContact O-ND2 2.93Å |
| 951 | S | 81.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 51% | 0.51 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -62.7 | -28.2 | 177.3 | 59 | 0 | 0 | 0 | 0 | 113.8 | E949 | E949-S951 WeakPolarHBondContact CB-OG 3.45Å; E949-S951 PolarHBondContact O-N 2.9Å; E949-S951 VanDerWaalsContact O-N 3.14Å; E949-S951 PolarHBondContact OE2-OG 3.19Å |
| 952 | S | 82.6 | Confident | 88.8 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -86.3 | -16.1 | -170.5 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | E949 P950 V954 | E949-S952 WeakPolarHBondContact O-CB 3.2Å; E949-S952 PolarHBondContact O-N 2.98Å; P950-S952 VanDerWaalsContact C-N 3.28Å; P950-S952 PolarHBondContact O-N 3.18Å; S952-V954 PolarHBondContact O-N 3.36Å |
| 953 | L | 86.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | trans | -77.3 | 109 | 169.3 | -171 | 69.2 | 0 | 0 | 0 | 107.9 | F915 M948 V959 N993 E996 F997 I1000 | F915-L953 HydrophobicContact CE1-CD1 4.11Å; F915-L953 HydrophobicContact CZ-CD1 4Å; M948-L953 HydrophobicContact CE-CB 4.21Å; M948-L953 HydrophobicContact CE-CD1 4.38Å; L953-V959 HydrophobicContact CD1-CG1 4.27Å; L953-N993 HydrophobicContact CB-CB 4.49Å; L953-N993 HydrophobicContact CD2-CB 4.21Å; L953-E996 WeakPolarHBondContact O-CG 3.28Å; L953-F997 HydrophobicContact CD2-CB 4.14Å; L953-I1000 HydrophobicContact CG-CD1 4.26Å | ||
| 954 | V | 86.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | trans | -124.2 | 140.2 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | S952 T956 | S952-V954 PolarHBondContact O-N 3.36Å; V954-T956 VanDerWaalsContact C-N 3.26Å; V954-T956 HydrophobicContact CB-CG2 4.34Å; V954-T956 HydrophobicContact CG1-CG2 4.16Å; V954-T956 PolarHBondContact O-N 3.26Å | ||
| 955 | N | 86.6 | Confident | 88.8 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | trans | -72.2 | 71.8 | 179 | -174.5 | 13.7 | 0 | 0 | 0 | 113.2 | R960 E996 I1000 | N955-R960 VanDerWaalsContact OD1-CD 3.28Å; N955-R960 WeakPolarHBondContact OD1-CD 3.42Å; N955-R960 WeakPolarHBondContact OD1-CG 3.45Å; N955-R960 PolarHBondContact OD1-NE 3.12Å; N955-E996 WeakPolarHBondContact CB-OE1 3.49Å; N955-I1000 HydrophobicContact CB-CD1 4.33Å; N955-I1000 HydrophobicContact CB-CG1 3.71Å | ||
| 956 | T | 90 | Very high | 88.9 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -90.1 | 172.3 | 173 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | V954 V959 R960 | V954-T956 VanDerWaalsContact C-N 3.26Å; V954-T956 HydrophobicContact CB-CG2 4.34Å; V954-T956 HydrophobicContact CG1-CG2 4.16Å; V954-T956 PolarHBondContact O-N 3.26Å; T956-V959 WeakPolarHBondContact OG1-CG2 3.44Å; T956-V959 PolarHBondContact OG1-N 3.44Å; T956-R960 PolarHBondContact O-N 3.41Å; T956-R960 PolarHBondContact O-NE 3.17Å | ||
| 957 | N | 90.4 | Very high | 89.2 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 174 | -164.6 | 36.6 | 0 | 0 | 0 | 111.5 | V959 R960 L961 | N957-V959 VanDerWaalsContact C-N 3.35Å; N957-V959 PolarHBondContact O-N 2.99Å; N957-R960 PolarHBondContact O-N 3.18Å; N957-R960 VanDerWaalsContact O-N 3.15Å; N957-L961 WeakPolarHBondContact O-CG 3.29Å; N957-L961 PolarHBondContact O-N 2.68Å |
| 958 | D | 90.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | -179.3 | -62.1 | -9.7 | 0 | 0 | 0 | 111.7 | A923 L961 A962 | A923-D958 HydrophobicContact CB-CB 4.29Å; D958-L961 PolarHBondContact O-N 2.7Å; D958-A962 VanDerWaalsContact O-CB 3.29Å; D958-A962 WeakPolarHBondContact O-CB 3.44Å; D958-A962 PolarHBondContact O-N 2.71Å |
| 959 | V | 91.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | F915 L953 T956 N957 A962 V963 I1000 | F915-V959 HydrophobicContact CE1-CG2 3.86Å; F915-V959 HydrophobicContact CZ-CG2 4.48Å; L953-V959 HydrophobicContact CD1-CG1 4.27Å; T956-V959 WeakPolarHBondContact OG1-CG2 3.44Å; T956-V959 PolarHBondContact OG1-N 3.44Å; N957-V959 VanDerWaalsContact C-N 3.35Å; N957-V959 PolarHBondContact O-N 2.99Å; V959-A962 PolarHBondContact O-N 3.2Å; V959-V963 HydrophobicContact CG1-CG2 4.45Å; V959-V963 WeakPolarHBondContact O-CB 3.12Å; V959-V963 WeakPolarHBondContact O-CG2 3.28Å; V959-V963 PolarHBondContact O-N 2.89Å; V959-I1000 HydrophobicContact CG1-CD1 3.9Å |
| 960 | R | 92.5 | Very high | 90.1 | Very high | 87 Ų | 87 | 42.5 Ų | 42.5 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 173.9 | -77.3 | -178 | -72.7 | 162.3 | -2.8 | 112.2 | N955 T956 N957 A962 V963 S964 I1000 T1003 F1004 | N955-R960 VanDerWaalsContact OD1-CD 3.28Å; N955-R960 WeakPolarHBondContact OD1-CD 3.42Å; N955-R960 WeakPolarHBondContact OD1-CG 3.45Å; N955-R960 PolarHBondContact OD1-NE 3.12Å; T956-R960 PolarHBondContact O-N 3.41Å; T956-R960 PolarHBondContact O-NE 3.17Å; N957-R960 PolarHBondContact O-N 3.18Å; N957-R960 VanDerWaalsContact O-N 3.15Å; R960-A962 VanDerWaalsContact C-N 3.33Å; R960-A962 PolarHBondContact O-N 3.49Å; R960-V963 PolarHBondContact O-N 3.38Å; R960-S964 WeakPolarHBondContact O-CB 2.94Å; R960-S964 PolarHBondContact O-N 2.85Å; R960-I1000 HydrophobicContact CG-CG2 4.19Å; R960-T1003 WeakPolarHBondContact CD-OG1 3.26Å; R960-F1004 HydrophobicContact CB-CZ 4.1Å; R960-F1004 HydrophobicContact CG-CZ 4.33Å; R960-F1004 VanDerWaalsContact O-CZ 3.23Å; R960-F1004 WeakPolarHBondContact O-CZ 3.19Å |
| 961 | L | 92 | Very high | 90.4 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.2 | -67.8 | 172.2 | 0 | 0 | 0 | 111.4 | A923 N957 D958 S964 R965 | A923-L961 HydrophobicContact CB-CB 3.78Å; A923-L961 HydrophobicContact CB-CD1 3.81Å; A923-L961 HydrophobicContact CB-CG 4.46Å; N957-L961 WeakPolarHBondContact O-CG 3.29Å; N957-L961 PolarHBondContact O-N 2.68Å; D958-L961 PolarHBondContact O-N 2.7Å; L961-S964 WeakPolarHBondContact O-CB 3.44Å; L961-S964 PolarHBondContact O-N 2.73Å; L961-R965 WeakPolarHBondContact O-CB 3.45Å; L961-R965 PolarHBondContact O-N 3.03Å |
| 962 | A | 92.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F922 D958 V959 R960 S964 R965 V966 | F922-A962 HydrophobicContact CB-CB 3.7Å; F922-A962 HydrophobicContact CG-CB 4.3Å; D958-A962 VanDerWaalsContact O-CB 3.29Å; D958-A962 WeakPolarHBondContact O-CB 3.44Å; D958-A962 PolarHBondContact O-N 2.71Å; V959-A962 PolarHBondContact O-N 3.2Å; R960-A962 VanDerWaalsContact C-N 3.33Å; R960-A962 PolarHBondContact O-N 3.49Å; A962-S964 VanDerWaalsContact C-N 3.33Å; A962-S964 PolarHBondContact O-N 3.35Å; A962-R965 WeakPolarHBondContact O-CB 3.35Å; A962-R965 PolarHBondContact O-N 2.95Å; A962-R965 VanDerWaalsContact O-N 3.13Å; A962-V966 WeakPolarHBondContact O-CG2 3.24Å; A962-V966 PolarHBondContact O-N 2.99Å |
| 963 | V | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V959 R960 R965 V966 I967 L986 M989 F997 I1000 F1004 | V959-V963 HydrophobicContact CG1-CG2 4.45Å; V959-V963 WeakPolarHBondContact O-CB 3.12Å; V959-V963 WeakPolarHBondContact O-CG2 3.28Å; V959-V963 PolarHBondContact O-N 2.89Å; R960-V963 PolarHBondContact O-N 3.38Å; V963-R965 VanDerWaalsContact C-N 3.32Å; V963-R965 PolarHBondContact O-N 3.32Å; V963-V966 PolarHBondContact O-N 3.28Å; V963-I967 HydrophobicContact CG1-CD1 3.69Å; V963-I967 HydrophobicContact CG1-CG1 4.31Å; V963-I967 VanDerWaalsContact O-CG1 3.24Å; V963-I967 WeakPolarHBondContact O-CG1 3.48Å; V963-I967 PolarHBondContact O-N 2.92Å; V963-L986 HydrophobicContact CG1-CD2 4.43Å; V963-M989 HydrophobicContact CG2-SD 3.92Å; V963-F997 HydrophobicContact CG1-CE2 4.49Å; V963-F997 HydrophobicContact CG2-CE2 4.32Å; V963-I1000 HydrophobicContact CB-CG2 4.46Å; V963-I1000 HydrophobicContact CG1-CG2 4.46Å; V963-I1000 HydrophobicContact CG2-CG2 4.18Å; V963-F1004 HydrophobicContact CB-CE2 4.35Å; V963-F1004 HydrophobicContact CB-CZ 4.15Å; V963-F1004 HydrophobicContact CG1-CE2 3.81Å; V963-F1004 HydrophobicContact CG1-CZ 3.99Å |
| 964 | S | 92.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.9 | -46.9 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | R960 L961 A962 I967 Q968 | R960-S964 WeakPolarHBondContact O-CB 2.94Å; R960-S964 PolarHBondContact O-N 2.85Å; L961-S964 WeakPolarHBondContact O-CB 3.44Å; L961-S964 PolarHBondContact O-N 2.73Å; A962-S964 VanDerWaalsContact C-N 3.33Å; A962-S964 PolarHBondContact O-N 3.35Å; S964-I967 PolarHBondContact O-N 3.19Å; S964-Q968 VanDerWaalsContact O-CG 3.29Å; S964-Q968 WeakPolarHBondContact O-CG 3.47Å; S964-Q968 PolarHBondContact O-N 3.3Å; S964-Q968 PolarHBondContact OG-NE2 2.98Å |
| 965 | R | 93.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 28% | 0.283 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | -179.2 | -157 | 67.7 | 158.2 | 159.7 | -9 | 112.2 | F922 L961 A962 V963 Q968 W969 | F922-R965 HydrophobicContact CB-CB 4.43Å; F922-R965 HydrophobicContact CD1-CB 3.9Å; F922-R965 HydrophobicContact CD1-CG 3.81Å; L961-R965 WeakPolarHBondContact O-CB 3.45Å; L961-R965 PolarHBondContact O-N 3.03Å; A962-R965 WeakPolarHBondContact O-CB 3.35Å; A962-R965 PolarHBondContact O-N 2.95Å; A962-R965 VanDerWaalsContact O-N 3.13Å; V963-R965 VanDerWaalsContact C-N 3.32Å; V963-R965 PolarHBondContact O-N 3.32Å; R965-Q968 WeakPolarHBondContact O-CB 3.33Å; R965-Q968 PolarHBondContact O-N 2.95Å; R965-W969 HydrophobicContact CG-CZ2 3.97Å; R965-W969 VanDerWaalsContact O-CD1 3.3Å; R965-W969 PolarHBondContact O-N 3.04Å; R965-W969 VanDerWaalsContact O-N 3.09Å |
| 966 | V | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | F922 L938 M941 A962 V963 Q968 W969 T970 A985 L986 | F922-V966 HydrophobicContact CD1-CG2 4.4Å; F922-V966 HydrophobicContact CE1-CG2 3.96Å; F922-V966 HydrophobicContact CZ-CG2 4.35Å; L938-V966 HydrophobicContact CD2-CG1 4.44Å; L938-V966 HydrophobicContact CD2-CG2 4.25Å; M941-V966 HydrophobicContact SD-CG2 4.21Å; A962-V966 WeakPolarHBondContact O-CG2 3.24Å; A962-V966 PolarHBondContact O-N 2.99Å; V963-V966 PolarHBondContact O-N 3.28Å; V966-Q968 PolarHBondContact O-N 3.34Å; V966-W969 PolarHBondContact O-N 3.27Å; V966-W969 VanDerWaalsContact O-N 3.12Å; V966-T970 PolarHBondContact O-N 3.3Å; V966-T970 VanDerWaalsContact O-N 3.17Å; V966-A985 HydrophobicContact CG1-CB 4.12Å; V966-L986 HydrophobicContact CG1-CD1 4.27Å; V966-L986 HydrophobicContact CG1-CD2 4.02Å; V966-L986 HydrophobicContact CG1-CG 3.8Å |
| 967 | I | 93.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.5 | -64.7 | 166.6 | 0 | 0 | 0 | 110.5 | V963 S964 W969 T970 L986 L1001 Y1008 V1012 | V963-I967 HydrophobicContact CG1-CD1 3.69Å; V963-I967 HydrophobicContact CG1-CG1 4.31Å; V963-I967 VanDerWaalsContact O-CG1 3.24Å; V963-I967 WeakPolarHBondContact O-CG1 3.48Å; V963-I967 PolarHBondContact O-N 2.92Å; S964-I967 PolarHBondContact O-N 3.19Å; I967-W969 VanDerWaalsContact C-N 3.26Å; I967-W969 PolarHBondContact O-N 3.14Å; I967-T970 WeakPolarHBondContact O-CB 3.24Å; I967-T970 PolarHBondContact O-N 3.42Å; I967-T970 VanDerWaalsContact O-N 3.15Å; I967-T970 PolarHBondContact O-OG1 2.71Å; I967-L986 HydrophobicContact CG1-CD1 4.05Å; I967-L986 HydrophobicContact CG1-CD2 3.82Å; I967-L1001 HydrophobicContact CD1-CD1 4.48Å; I967-Y1008 HydrophobicContact CB-CD1 4.36Å; I967-Y1008 HydrophobicContact CG2-CD1 3.35Å; I967-Y1008 HydrophobicContact CG2-CE1 3.78Å; I967-Y1008 HydrophobicContact CG2-CG 4.05Å; I967-V1012 HydrophobicContact CD1-CG2 3.67Å; I967-V1012 HydrophobicContact CG1-CG2 3.8Å |
| 968 | Q | 92 | Very high | 92 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56 | -39.6 | 173.7 | -70.9 | 165.2 | 24.5 | 0 | 0 | 112.2 | S964 R965 V966 T970 G971 | S964-Q968 VanDerWaalsContact O-CG 3.29Å; S964-Q968 WeakPolarHBondContact O-CG 3.47Å; S964-Q968 PolarHBondContact O-N 3.3Å; S964-Q968 PolarHBondContact OG-NE2 2.98Å; R965-Q968 WeakPolarHBondContact O-CB 3.33Å; R965-Q968 PolarHBondContact O-N 2.95Å; V966-Q968 PolarHBondContact O-N 3.34Å; Q968-T970 VanDerWaalsContact C-N 3.33Å; Q968-T970 PolarHBondContact O-N 2.85Å; Q968-G971 PolarHBondContact O-N 3.05Å |
| 969 | W | 93.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.5 | -16 | -178.6 | -67 | 5 | 0 | 0 | 0 | 113.9 | F922 P929 K934 L937 L938 R965 V966 I967 G971 E972 I978 S982 | F922-W969 HydrophobicContact CD1-CH2 4.03Å; F922-W969 HydrophobicContact CD1-CZ3 4.25Å; F922-W969 AromaticContact CE1-CE3 3.93Å; F922-W969 HydrophobicContact CE1-CE3 3.93Å; F922-W969 AromaticContact CE1-CH2 3.52Å; F922-W969 HydrophobicContact CE1-CH2 3.52Å; F922-W969 HydrophobicContact CE1-CZ2 4.31Å; F922-W969 AromaticContact CE1-CZ3 3.32Å; F922-W969 HydrophobicContact CE1-CZ3 3.32Å; F922-W969 HydrophobicContact CZ-CH2 4.3Å; F922-W969 AromaticContact CZ-CZ3 3.9Å; F922-W969 HydrophobicContact CZ-CZ3 3.9Å; P929-W969 HydrophobicContact CG-CH2 3.83Å; P929-W969 HydrophobicContact CG-CZ2 3.73Å; K934-W969 HydrophobicContact CB-CE3 4.01Å; K934-W969 HydrophobicContact CB-CH2 4.1Å; K934-W969 HydrophobicContact CB-CZ3 3.75Å; K934-W969 HydrophobicContact CD-CD2 3.93Å; K934-W969 HydrophobicContact CD-CE3 4.26Å; K934-W969 HydrophobicContact CD-CG 4.44Å; K934-W969 HydrophobicContact CD-CH2 4.38Å; K934-W969 HydrophobicContact CD-CZ2 4.06Å; K934-W969 HydrophobicContact CD-CZ3 4.45Å; K934-W969 HydrophobicContact CG-CD2 4.23Å; K934-W969 HydrophobicContact CG-CE3 4.13Å; K934-W969 HydrophobicContact CG-CH2 3.7Å; K934-W969 HydrophobicContact CG-CZ2 3.79Å; K934-W969 HydrophobicContact CG-CZ3 3.85Å; L937-W969 HydrophobicContact CD1-CH2 4.22Å; L938-W969 HydrophobicContact CD1-CE3 3.91Å; L938-W969 HydrophobicContact CD1-CZ3 4.48Å; L938-W969 HydrophobicContact CD2-CE3 4.12Å; L938-W969 HydrophobicContact CD2-CZ3 4.48Å; L938-W969 HydrophobicContact CG-CE3 3.93Å; L938-W969 HydrophobicContact CG-CZ3 4.13Å; R965-W969 HydrophobicContact CG-CZ2 3.97Å; R965-W969 VanDerWaalsContact O-CD1 3.3Å; R965-W969 PolarHBondContact O-N 3.04Å; R965-W969 VanDerWaalsContact O-N 3.09Å; V966-W969 PolarHBondContact O-N 3.27Å; V966-W969 VanDerWaalsContact O-N 3.12Å; I967-W969 VanDerWaalsContact C-N 3.26Å; I967-W969 PolarHBondContact O-N 3.14Å; W969-G971 PolarHBondContact O-N 3.28Å; W969-E972 WeakPolarHBondContact O-CB 2.96Å; W969-E972 PolarHBondContact O-N 3Å; W969-E972 VanDerWaalsContact O-N 3.08Å; W969-I978 HydrophobicContact CB-CG2 4.02Å; W969-S982 VanDerWaalsContact CB-OG 3.31Å; W969-S982 WeakPolarHBondContact CB-OG 3.36Å |
| 970 | T | 92.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.4 | 166.9 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | V966 I967 Q968 R979 Q983 L986 F1015 | V966-T970 PolarHBondContact O-N 3.3Å; V966-T970 VanDerWaalsContact O-N 3.17Å; I967-T970 WeakPolarHBondContact O-CB 3.24Å; I967-T970 PolarHBondContact O-N 3.42Å; I967-T970 VanDerWaalsContact O-N 3.15Å; I967-T970 PolarHBondContact O-OG1 2.71Å; Q968-T970 VanDerWaalsContact C-N 3.33Å; Q968-T970 PolarHBondContact O-N 2.85Å; T970-R979 VanDerWaalsContact O-CD 3.27Å; T970-R979 WeakPolarHBondContact O-CD 3.41Å; T970-R979 VanDerWaalsContact O-CG 3.25Å; T970-R979 WeakPolarHBondContact O-CG 3.24Å; T970-Q983 HydrophobicContact CG2-CG 4.23Å; T970-L986 HydrophobicContact CG2-CD1 3.62Å; T970-F1015 HydrophobicContact CG2-CE2 3.91Å |
| 971 | G | 90.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q968 W969 P973 | Q968-G971 PolarHBondContact O-N 3.05Å; W969-G971 PolarHBondContact O-N 3.28Å; G971-P973 VanDerWaalsContact O-CD 3.23Å; G971-P973 WeakPolarHBondContact O-CD 3.34Å; G971-P973 VanDerWaalsContact O-N 3.1Å |
| 972 | E | 91.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | trans | -58.1 | 112.8 | -175.7 | 172.2 | 59.8 | -108.7 | 0 | 0 | 111.4 | L931 K934 W969 K974 I978 R979 | L931-E972 HydrophobicContact CD2-CG 4.24Å; K934-E972 IonicContact NZ-OE2 3.21Å; K934-E972 PolarHBondContact NZ-OE2 3.32Å; W969-E972 WeakPolarHBondContact O-CB 2.96Å; W969-E972 PolarHBondContact O-N 3Å; W969-E972 VanDerWaalsContact O-N 3.08Å; E972-K974 PolarHBondContact O-N 3.3Å; E972-K974 WeakPolarHBondContact OE1-CB 3.34Å; E972-K974 PolarHBondContact OE1-N 3.19Å; E972-K974 VanDerWaalsContact OE1-N 3.13Å; E972-I978 HydrophobicContact CB-CB 4.44Å; E972-I978 HydrophobicContact CB-CG2 3.9Å; E972-I978 HydrophobicContact CG-CB 4.26Å; E972-I978 HydrophobicContact CG-CD1 4.09Å; E972-I978 HydrophobicContact CG-CG2 4.03Å; E972-R979 HydrophobicContact CB-CG 4.38Å; E972-R979 VanDerWaalsContact O-CD 3.32Å; E972-R979 WeakPolarHBondContact O-CD 3.44Å; E972-R979 WeakPolarHBondContact O-CG 3.42Å; E972-R979 PolarHBondContact O-NH1 3.32Å | ||
| 973 | P | 86.8 | Confident | 92.4 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.7 | -174.2 | 25 | -33.5 | 0 | 0 | 0 | 112.5 | G971 S975 R979 | G971-P973 VanDerWaalsContact O-CD 3.23Å; G971-P973 WeakPolarHBondContact O-CD 3.34Å; G971-P973 VanDerWaalsContact O-N 3.1Å; P973-S975 PolarHBondContact O-N 2.97Å; P973-R979 PolarHBondContact O-NH1 3.32Å; P973-R979 VanDerWaalsContact O-NH1 3.16Å |
| 974 | K | 89.3 | Confident | 92.3 | Very high | 170 Ų | 170 | 53.2 Ų | 53.2 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17.1 | -167.1 | -62.8 | 179.2 | -179.4 | 177.6 | 0 | 115.2 | L931 E972 | L931-K974 HydrophobicContact CD1-CB 3.78Å; L931-K974 HydrophobicContact CD1-CD 4.19Å; L931-K974 HydrophobicContact CD2-CB 4.02Å; E972-K974 PolarHBondContact O-N 3.3Å; E972-K974 WeakPolarHBondContact OE1-CB 3.34Å; E972-K974 PolarHBondContact OE1-N 3.19Å; E972-K974 VanDerWaalsContact OE1-N 3.13Å |
| 975 | S | 91.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | trans | -142 | 123.8 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | P973 E977 I978 R979 | P973-S975 PolarHBondContact O-N 2.97Å; S975-E977 VanDerWaalsContact C-N 3.27Å; S975-E977 PolarHBondContact OG-N 3.22Å; S975-I978 PolarHBondContact OG-N 3.44Å; S975-R979 WeakPolarHBondContact O-CG 3.44Å; S975-R979 PolarHBondContact O-N 3.04Å | ||
| 976 | S | 91.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.9 | -20.6 | 172.3 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | R980 | S976-R980 WeakPolarHBondContact O-CG 3.18Å; S976-R980 PolarHBondContact O-N 3.35Å; S976-R980 VanDerWaalsContact O-N 3.16Å; S976-R980 PolarHBondContact OG-NH2 3.27Å |
| 977 | E | 91.3 | Very high | 92.2 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.4 | -44.4 | 178.8 | -63.7 | 162.5 | 178.2 | 0 | 0 | 110 | L935 S975 R979 R980 A981 | L935-E977 HydrophobicContact CD1-CB 3.93Å; L935-E977 HydrophobicContact CD2-CB 4.28Å; L935-E977 WeakPolarHBondContact CD2-OE2 3.39Å; S975-E977 VanDerWaalsContact C-N 3.27Å; S975-E977 PolarHBondContact OG-N 3.22Å; E977-R979 VanDerWaalsContact C-N 3.34Å; E977-R979 PolarHBondContact O-N 3.4Å; E977-R980 PolarHBondContact O-N 3.26Å; E977-A981 WeakPolarHBondContact O-CB 3.2Å; E977-A981 PolarHBondContact O-N 2.97Å |
| 978 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -48.6 | 173 | -66 | 175.9 | 0 | 0 | 0 | 110 | L931 K934 L935 L938 W969 E972 S975 R980 A981 S982 | L931-I978 HydrophobicContact CB-CD1 4.24Å; L931-I978 HydrophobicContact CD2-CD1 3.7Å; K934-I978 HydrophobicContact CB-CD1 3.73Å; K934-I978 HydrophobicContact CB-CG1 4.32Å; K934-I978 HydrophobicContact CD-CD1 4.06Å; L935-I978 HydrophobicContact CB-CG1 4.2Å; L938-I978 HydrophobicContact CD1-CB 4.42Å; L938-I978 HydrophobicContact CD1-CG2 3.81Å; W969-I978 HydrophobicContact CB-CG2 4.02Å; E972-I978 HydrophobicContact CB-CB 4.44Å; E972-I978 HydrophobicContact CB-CG2 3.9Å; E972-I978 HydrophobicContact CG-CB 4.26Å; E972-I978 HydrophobicContact CG-CD1 4.09Å; E972-I978 HydrophobicContact CG-CG2 4.03Å; S975-I978 PolarHBondContact OG-N 3.44Å; I978-R980 VanDerWaalsContact C-N 3.34Å; I978-R980 PolarHBondContact O-N 3.23Å; I978-A981 PolarHBondContact O-N 2.93Å; I978-S982 WeakPolarHBondContact O-CB 3.42Å; I978-S982 PolarHBondContact O-N 2.91Å; I978-S982 PolarHBondContact O-OG 3.16Å; I978-S982 VanDerWaalsContact O-OG 3.1Å |
| 979 | R | 93.8 | Very high | 92 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 178.5 | -64 | -167 | -62.8 | -95.8 | 10.2 | 112.3 | T970 E972 P973 S975 E977 Q983 | T970-R979 VanDerWaalsContact O-CD 3.27Å; T970-R979 WeakPolarHBondContact O-CD 3.41Å; T970-R979 VanDerWaalsContact O-CG 3.25Å; T970-R979 WeakPolarHBondContact O-CG 3.24Å; E972-R979 HydrophobicContact CB-CG 4.38Å; E972-R979 VanDerWaalsContact O-CD 3.32Å; E972-R979 WeakPolarHBondContact O-CD 3.44Å; E972-R979 WeakPolarHBondContact O-CG 3.42Å; E972-R979 PolarHBondContact O-NH1 3.32Å; P973-R979 PolarHBondContact O-NH1 3.32Å; P973-R979 VanDerWaalsContact O-NH1 3.16Å; S975-R979 WeakPolarHBondContact O-CG 3.44Å; S975-R979 PolarHBondContact O-N 3.04Å; E977-R979 VanDerWaalsContact C-N 3.34Å; E977-R979 PolarHBondContact O-N 3.4Å; R979-Q983 WeakPolarHBondContact O-CB 3.43Å; R979-Q983 WeakPolarHBondContact O-CG 3.33Å; R979-Q983 PolarHBondContact O-N 3.04Å |
| 980 | R | 92.6 | Very high | 91.8 | Very high | 163 Ų | 163 | 47.9 Ų | 47.9 | 62% | 0.615 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.6 | -45.2 | 176.5 | -79.1 | -175.4 | -102.6 | 175.5 | -6.2 | 112.4 | S976 E977 I978 S982 Q983 N984 | S976-R980 WeakPolarHBondContact O-CG 3.18Å; S976-R980 PolarHBondContact O-N 3.35Å; S976-R980 VanDerWaalsContact O-N 3.16Å; S976-R980 PolarHBondContact OG-NH2 3.27Å; E977-R980 PolarHBondContact O-N 3.26Å; I978-R980 VanDerWaalsContact C-N 3.34Å; I978-R980 PolarHBondContact O-N 3.23Å; R980-S982 PolarHBondContact O-N 2.88Å; R980-Q983 PolarHBondContact O-N 3.04Å; R980-N984 WeakPolarHBondContact O-CB 3.48Å; R980-N984 PolarHBondContact O-N 3.43Å |
| 981 | A | 93.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -33.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L935 L938 N942 E977 I978 A985 | L935-A981 HydrophobicContact CD1-CB 4.3Å; L938-A981 HydrophobicContact CB-CB 3.77Å; L938-A981 HydrophobicContact CD1-CB 3.94Å; L938-A981 HydrophobicContact CG-CB 4.47Å; N942-A981 PolarHBondContact ND2-O 3.5Å; E977-A981 WeakPolarHBondContact O-CB 3.2Å; E977-A981 PolarHBondContact O-N 2.97Å; I978-A981 PolarHBondContact O-N 2.93Å; A981-A985 WeakPolarHBondContact O-CB 3.48Å; A981-A985 PolarHBondContact O-N 2.77Å |
| 982 | S | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 170.6 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | L938 W969 I978 R980 N984 A985 L986 | L938-S982 WeakPolarHBondContact CD1-OG 3.27Å; W969-S982 VanDerWaalsContact CB-OG 3.31Å; W969-S982 WeakPolarHBondContact CB-OG 3.36Å; I978-S982 WeakPolarHBondContact O-CB 3.42Å; I978-S982 PolarHBondContact O-N 2.91Å; I978-S982 PolarHBondContact O-OG 3.16Å; I978-S982 VanDerWaalsContact O-OG 3.1Å; R980-S982 PolarHBondContact O-N 2.88Å; S982-N984 VanDerWaalsContact C-N 3.35Å; S982-A985 PolarHBondContact O-N 3Å; S982-L986 WeakPolarHBondContact O-CG 3.36Å; S982-L986 PolarHBondContact O-N 3.2Å; S982-L986 VanDerWaalsContact O-N 3.17Å |
| 983 | Q | 92.6 | Very high | 91.4 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.2 | -74.1 | 164.4 | -9.3 | 0 | 0 | 111.2 | T970 R979 R980 A985 L986 V987 F1015 | T970-Q983 HydrophobicContact CG2-CG 4.23Å; R979-Q983 WeakPolarHBondContact O-CB 3.43Å; R979-Q983 WeakPolarHBondContact O-CG 3.33Å; R979-Q983 PolarHBondContact O-N 3.04Å; R980-Q983 PolarHBondContact O-N 3.04Å; Q983-A985 PolarHBondContact O-N 3.13Å; Q983-L986 PolarHBondContact O-N 3.22Å; Q983-V987 WeakPolarHBondContact O-CG2 3.18Å; Q983-V987 PolarHBondContact O-N 3.36Å; Q983-F1015 HydrophobicContact CG-CD1 4.04Å; Q983-F1015 HydrophobicContact CG-CD2 4.03Å; Q983-F1015 HydrophobicContact CG-CE1 4.09Å; Q983-F1015 HydrophobicContact CG-CE2 4.05Å; Q983-F1015 HydrophobicContact CG-CG 4.03Å; Q983-F1015 HydrophobicContact CG-CZ 4.09Å |
| 984 | N | 91.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.2 | -160.3 | 28.5 | 0 | 0 | 0 | 111.6 | N942 R980 S982 L986 V987 N988 | N942-N984 VanDerWaalsContact OD1-C 3.27Å; N942-N984 PolarHBondContact OD1-ND2 3.44Å; R980-N984 WeakPolarHBondContact O-CB 3.48Å; R980-N984 PolarHBondContact O-N 3.43Å; S982-N984 VanDerWaalsContact C-N 3.35Å; N984-L986 VanDerWaalsContact C-N 3.33Å; N984-L986 PolarHBondContact O-N 2.94Å; N984-V987 PolarHBondContact O-N 2.92Å; N984-V987 VanDerWaalsContact O-N 3.17Å; N984-N988 PolarHBondContact ND2-ND2 3.14Å; N984-N988 WeakPolarHBondContact O-CB 3.43Å; N984-N988 PolarHBondContact O-N 3.25Å; N984-N988 PolarHBondContact O-ND2 2.99Å; N984-N988 PolarHBondContact OD1-ND2 3.08Å |
| 985 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N942 L945 V966 A981 S982 Q983 N988 M989 | N942-A985 VanDerWaalsContact OD1-CA 3.27Å; N942-A985 WeakPolarHBondContact OD1-CA 3.2Å; N942-A985 PolarHBondContact OD1-N 2.98Å; N942-A985 VanDerWaalsContact OD1-N 3.07Å; L945-A985 HydrophobicContact CD1-CB 4.4Å; V966-A985 HydrophobicContact CG1-CB 4.12Å; A981-A985 WeakPolarHBondContact O-CB 3.48Å; A981-A985 PolarHBondContact O-N 2.77Å; S982-A985 PolarHBondContact O-N 3Å; Q983-A985 PolarHBondContact O-N 3.13Å; A985-N988 PolarHBondContact O-N 3.23Å; A985-M989 WeakPolarHBondContact O-CB 3.33Å; A985-M989 VanDerWaalsContact O-CG 3.25Å; A985-M989 WeakPolarHBondContact O-CG 3.43Å; A985-M989 PolarHBondContact O-N 3.01Å |
| 986 | L | 93.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 176.5 | -65.2 | 164.7 | 0 | 0 | 0 | 112.5 | V963 V966 I967 T970 S982 Q983 N984 F990 F997 V1012 | V963-L986 HydrophobicContact CG1-CD2 4.43Å; V966-L986 HydrophobicContact CG1-CD1 4.27Å; V966-L986 HydrophobicContact CG1-CD2 4.02Å; V966-L986 HydrophobicContact CG1-CG 3.8Å; I967-L986 HydrophobicContact CG1-CD1 4.05Å; I967-L986 HydrophobicContact CG1-CD2 3.82Å; T970-L986 HydrophobicContact CG2-CD1 3.62Å; S982-L986 WeakPolarHBondContact O-CG 3.36Å; S982-L986 PolarHBondContact O-N 3.2Å; S982-L986 VanDerWaalsContact O-N 3.17Å; Q983-L986 PolarHBondContact O-N 3.22Å; N984-L986 VanDerWaalsContact C-N 3.33Å; N984-L986 PolarHBondContact O-N 2.94Å; L986-F990 PolarHBondContact O-N 3.37Å; L986-F990 VanDerWaalsContact O-N 3.11Å; L986-F997 HydrophobicContact CD2-CE2 4.39Å; L986-F997 HydrophobicContact CD2-CZ 3.99Å; L986-V1012 HydrophobicContact CD1-CG2 4.3Å; L986-V1012 HydrophobicContact CD2-CG2 4.47Å |
| 987 | V | 90.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | Q983 N984 F990 N991 L1016 Q1019 | Q983-V987 WeakPolarHBondContact O-CG2 3.18Å; Q983-V987 PolarHBondContact O-N 3.36Å; N984-V987 PolarHBondContact O-N 2.92Å; N984-V987 VanDerWaalsContact O-N 3.17Å; V987-F990 PolarHBondContact O-N 3.37Å; V987-N991 WeakPolarHBondContact O-CB 3.35Å; V987-N991 VanDerWaalsContact O-CG 3.22Å; V987-N991 PolarHBondContact O-N 3.3Å; V987-L1016 HydrophobicContact CG2-CD2 4.16Å; V987-Q1019 HydrophobicContact CG2-CG 4.07Å |
| 988 | N | 90.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 39.6 Ų | 39.6 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 179.4 | -67 | -32.1 | 0 | 0 | 0 | 111.9 | N942 L945 H946 N984 A985 F990 N991 L992 | N942-N988 PolarHBondContact OD1-ND2 2.89Å; L945-N988 HydrophobicContact CB-CB 4.12Å; L945-N988 HydrophobicContact CD1-CB 4.13Å; H946-N988 PolarHBondContact CE1-ND2 2.84Å; N984-N988 PolarHBondContact ND2-ND2 3.14Å; N984-N988 WeakPolarHBondContact O-CB 3.43Å; N984-N988 PolarHBondContact O-N 3.25Å; N984-N988 PolarHBondContact O-ND2 2.99Å; N984-N988 PolarHBondContact OD1-ND2 3.08Å; A985-N988 PolarHBondContact O-N 3.23Å; N988-F990 VanDerWaalsContact C-N 3.34Å; N988-F990 PolarHBondContact O-N 2.99Å; N988-N991 PolarHBondContact O-N 2.94Å; N988-L992 WeakPolarHBondContact O-CB 3.16Å; N988-L992 PolarHBondContact O-N 3.39Å |
| 989 | M | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 171.4 | -71.1 | 171.3 | 178.4 | 0 | 0 | 112.5 | F915 M941 L945 V963 A985 N993 F997 | F915-M989 HydrophobicContact CE2-CE 4.14Å; F915-M989 HydrophobicContact CZ-CE 4.26Å; M941-M989 HydrophobicContact CE-CE 4.29Å; M941-M989 HydrophobicContact SD-CE 3.74Å; L945-M989 HydrophobicContact CD1-CE 4.17Å; L945-M989 HydrophobicContact CD1-CG 3.87Å; L945-M989 HydrophobicContact CD2-CG 3.9Å; V963-M989 HydrophobicContact CG2-SD 3.92Å; A985-M989 WeakPolarHBondContact O-CB 3.33Å; A985-M989 VanDerWaalsContact O-CG 3.25Å; A985-M989 WeakPolarHBondContact O-CG 3.43Å; A985-M989 PolarHBondContact O-N 3.01Å; M989-N993 PolarHBondContact O-N 3.02Å; M989-F997 HydrophobicContact CB-CD2 3.53Å; M989-F997 HydrophobicContact CB-CE2 3.58Å; M989-F997 HydrophobicContact CB-CG 4.31Å; M989-F997 HydrophobicContact CB-CZ 4.39Å; M989-F997 HydrophobicContact CG-CE2 4.38Å; M989-F997 HydrophobicContact SD-CD2 4.48Å; M989-F997 HydrophobicContact SD-CE2 3.95Å |
| 990 | F | 90 | Very high | 90.9 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 175.8 | 177.7 | -93.5 | 0 | 0 | 0 | 112.6 | L986 V987 N988 L992 A994 F997 L1016 | L986-F990 PolarHBondContact O-N 3.37Å; L986-F990 VanDerWaalsContact O-N 3.11Å; V987-F990 PolarHBondContact O-N 3.37Å; N988-F990 VanDerWaalsContact C-N 3.34Å; N988-F990 PolarHBondContact O-N 2.99Å; F990-L992 VanDerWaalsContact C-N 3.28Å; F990-L992 PolarHBondContact O-N 3.18Å; F990-A994 HydrophobicContact CD2-CB 4.14Å; F990-A994 HydrophobicContact CE1-CB 4.38Å; F990-A994 HydrophobicContact CE2-CB 3.81Å; F990-A994 HydrophobicContact CZ-CB 3.94Å; F990-A994 WeakPolarHBondContact O-CA 3.29Å; F990-A994 WeakPolarHBondContact O-CB 3.45Å; F990-A994 PolarHBondContact O-N 3.28Å; F990-F997 HydrophobicContact CB-CD1 3.87Å; F990-F997 HydrophobicContact CB-CE1 4.13Å; F990-F997 HydrophobicContact CB-CG 4.49Å; F990-F997 AromaticContact CD2-CD1 3.99Å; F990-F997 HydrophobicContact CD2-CD1 3.99Å; F990-F997 HydrophobicContact CG-CD1 4.45Å; F990-L1016 HydrophobicContact CB-CD1 4.28Å; F990-L1016 HydrophobicContact CB-CD2 3.63Å; F990-L1016 HydrophobicContact CD1-CD1 4.36Å; F990-L1016 HydrophobicContact CD1-CD2 3.84Å; F990-L1016 HydrophobicContact CD2-CD1 3.63Å; F990-L1016 HydrophobicContact CD2-CD2 4.36Å; F990-L1016 HydrophobicContact CE2-CD1 4.02Å; F990-L1016 HydrophobicContact CG-CD1 3.82Å; F990-L1016 HydrophobicContact CG-CD2 3.67Å; F990-L1016 HydrophobicContact CG-CG 4.39Å |
| 991 | N | 88.2 | Confident | 90.8 | Very high | 113 Ų | 113 | 34.1 Ų | 34.1 | 60% | 0.604 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -66.8 | -31.7 | 178.6 | -71.1 | -13.4 | 0 | 0 | 0 | 112.2 | V987 N988 | V987-N991 WeakPolarHBondContact O-CB 3.35Å; V987-N991 VanDerWaalsContact O-CG 3.22Å; V987-N991 PolarHBondContact O-N 3.3Å; N988-N991 PolarHBondContact O-N 2.94Å |
| 992 | L | 88 | Confident | 90.7 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.7 | -51.1 | 179.2 | 179.5 | 62.3 | 0 | 0 | 0 | 112.3 | L945 M948 P950 N988 F990 | L945-L992 HydrophobicContact CD2-CD2 4.21Å; M948-L992 HydrophobicContact CB-CD2 4.18Å; M948-L992 HydrophobicContact CE-CD2 3.38Å; M948-L992 HydrophobicContact CG-CD2 4.26Å; M948-L992 WeakPolarHBondContact O-CD1 3.18Å; P950-L992 WeakPolarHBondContact CB-O 3.46Å; P950-L992 HydrophobicContact CG-CD1 4.12Å; P950-L992 WeakPolarHBondContact CG-O 3.29Å; N988-L992 WeakPolarHBondContact O-CB 3.16Å; N988-L992 PolarHBondContact O-N 3.39Å; F990-L992 VanDerWaalsContact C-N 3.28Å; F990-L992 PolarHBondContact O-N 3.18Å |
| 993 | N | 88.5 | Confident | 90.5 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | trans | -150.7 | 81.8 | 177.7 | -172.3 | -19.7 | 0 | 0 | 0 | 110.9 | P950 L953 M989 P995 E996 F997 | P950-N993 HydrophobicContact CB-CB 4.31Å; P950-N993 PolarHBondContact O-ND2 2.93Å; L953-N993 HydrophobicContact CB-CB 4.49Å; L953-N993 HydrophobicContact CD2-CB 4.21Å; M989-N993 PolarHBondContact O-N 3.02Å; N993-P995 VanDerWaalsContact OD1-CD 3.24Å; N993-P995 WeakPolarHBondContact OD1-CD 3.16Å; N993-P995 VanDerWaalsContact OD1-CG 3.31Å; N993-P995 WeakPolarHBondContact OD1-CG 3.39Å; N993-E996 HydrophobicContact CB-CB 4.23Å; N993-E996 VanDerWaalsContact CG-CB 3.47Å; N993-E996 PolarHBondContact O-N 3.46Å; N993-E996 WeakPolarHBondContact OD1-CB 3.37Å; N993-E996 PolarHBondContact OD1-N 2.74Å; N993-E996 VanDerWaalsContact OD1-N 3.16Å; N993-F997 WeakPolarHBondContact O-CB 3.32Å; N993-F997 PolarHBondContact O-N 2.7Å | ||
| 994 | A | 87.5 | Confident | 90.4 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.9 | -45.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F990 S998 | F990-A994 HydrophobicContact CD2-CB 4.14Å; F990-A994 HydrophobicContact CE1-CB 4.38Å; F990-A994 HydrophobicContact CE2-CB 3.81Å; F990-A994 HydrophobicContact CZ-CB 3.94Å; F990-A994 WeakPolarHBondContact O-CA 3.29Å; F990-A994 WeakPolarHBondContact O-CB 3.45Å; F990-A994 PolarHBondContact O-N 3.28Å; A994-S998 VanDerWaalsContact O-CB 3.26Å; A994-S998 WeakPolarHBondContact O-CB 3.33Å; A994-S998 PolarHBondContact O-N 3.2Å; A994-S998 PolarHBondContact O-OG 3.3Å |
| 995 | P | 87.7 | Confident | 90.4 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 57% | 0.571 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -68.9 | -39.7 | -179.9 | 24.6 | -32.2 | 0 | 0 | 0 | 112.8 | N993 S998 R999 | N993-P995 VanDerWaalsContact OD1-CD 3.24Å; N993-P995 WeakPolarHBondContact OD1-CD 3.16Å; N993-P995 VanDerWaalsContact OD1-CG 3.31Å; N993-P995 WeakPolarHBondContact OD1-CG 3.39Å; P995-S998 PolarHBondContact O-N 3.47Å; P995-R999 PolarHBondContact O-N 2.83Å; P995-R999 VanDerWaalsContact O-N 3.09Å |
| 996 | E | 90.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67 | -47 | 176 | -167.5 | 67.9 | -130.5 | 0 | 0 | 111.5 | L953 N955 N993 S998 R999 I1000 | L953-E996 WeakPolarHBondContact O-CG 3.28Å; N955-E996 WeakPolarHBondContact CB-OE1 3.49Å; N993-E996 HydrophobicContact CB-CB 4.23Å; N993-E996 VanDerWaalsContact CG-CB 3.47Å; N993-E996 PolarHBondContact O-N 3.46Å; N993-E996 WeakPolarHBondContact OD1-CB 3.37Å; N993-E996 PolarHBondContact OD1-N 2.74Å; N993-E996 VanDerWaalsContact OD1-N 3.16Å; E996-S998 PolarHBondContact O-N 3.48Å; E996-R999 WeakPolarHBondContact O-CA 3.12Å; E996-R999 WeakPolarHBondContact O-CB 3.31Å; E996-R999 PolarHBondContact O-N 3.13Å; E996-R999 IonicContact OE1-CZ 3.83Å; E996-R999 IonicContact OE1-NH1 3.71Å; E996-R999 PolarHBondContact OE1-NH1 3.49Å; E996-R999 IonicContact OE2-CZ 2.72Å; E996-R999 IonicContact OE2-NH1 3.66Å; E996-R999 PolarHBondContact OE2-NH1 3.01Å; E996-I1000 HydrophobicContact CG-CD1 4.18Å; E996-I1000 WeakPolarHBondContact O-CG1 3.37Å; E996-I1000 PolarHBondContact O-N 3.2Å |
| 997 | F | 91.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 177.4 | -175.7 | -99.8 | 0 | 0 | 0 | 111.9 | L953 V963 L986 M989 F990 N993 I1000 L1001 V1012 | L953-F997 HydrophobicContact CD2-CB 4.14Å; V963-F997 HydrophobicContact CG1-CE2 4.49Å; V963-F997 HydrophobicContact CG2-CE2 4.32Å; L986-F997 HydrophobicContact CD2-CE2 4.39Å; L986-F997 HydrophobicContact CD2-CZ 3.99Å; M989-F997 HydrophobicContact CB-CD2 3.53Å; M989-F997 HydrophobicContact CB-CE2 3.58Å; M989-F997 HydrophobicContact CB-CG 4.31Å; M989-F997 HydrophobicContact CB-CZ 4.39Å; M989-F997 HydrophobicContact CG-CE2 4.38Å; M989-F997 HydrophobicContact SD-CD2 4.48Å; M989-F997 HydrophobicContact SD-CE2 3.95Å; F990-F997 HydrophobicContact CB-CD1 3.87Å; F990-F997 HydrophobicContact CB-CE1 4.13Å; F990-F997 HydrophobicContact CB-CG 4.49Å; F990-F997 AromaticContact CD2-CD1 3.99Å; F990-F997 HydrophobicContact CD2-CD1 3.99Å; F990-F997 HydrophobicContact CG-CD1 4.45Å; N993-F997 WeakPolarHBondContact O-CB 3.32Å; N993-F997 PolarHBondContact O-N 2.7Å; F997-I1000 PolarHBondContact O-N 2.72Å; F997-L1001 HydrophobicContact CE1-CD2 4.46Å; F997-L1001 VanDerWaalsContact O-CB 3.24Å; F997-L1001 WeakPolarHBondContact O-CB 3.21Å; F997-L1001 PolarHBondContact O-N 3.16Å; F997-V1012 HydrophobicContact CE1-CG1 3.86Å; F997-V1012 HydrophobicContact CZ-CG1 4.13Å |
| 998 | S | 90.1 | Very high | 89.8 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | A994 P995 E996 L1001 S1002 | A994-S998 VanDerWaalsContact O-CB 3.26Å; A994-S998 WeakPolarHBondContact O-CB 3.33Å; A994-S998 PolarHBondContact O-N 3.2Å; A994-S998 PolarHBondContact O-OG 3.3Å; P995-S998 PolarHBondContact O-N 3.47Å; E996-S998 PolarHBondContact O-N 3.48Å; S998-L1001 PolarHBondContact O-N 2.88Å; S998-S1002 PolarHBondContact O-N 3.48Å |
| 999 | R | 90.9 | Very high | 89.8 | Confident | 129 Ų | 129 | 52.4 Ų | 52.4 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 173.9 | -164.2 | -173.9 | -56 | 118.1 | 2.3 | 112.3 | P995 E996 S1002 | P995-R999 PolarHBondContact O-N 2.83Å; P995-R999 VanDerWaalsContact O-N 3.09Å; E996-R999 WeakPolarHBondContact O-CA 3.12Å; E996-R999 WeakPolarHBondContact O-CB 3.31Å; E996-R999 PolarHBondContact O-N 3.13Å; E996-R999 IonicContact OE1-CZ 3.83Å; E996-R999 IonicContact OE1-NH1 3.71Å; E996-R999 PolarHBondContact OE1-NH1 3.49Å; E996-R999 IonicContact OE2-CZ 2.72Å; E996-R999 IonicContact OE2-NH1 3.66Å; E996-R999 PolarHBondContact OE2-NH1 3.01Å; R999-S1002 PolarHBondContact O-OG 3.04Å |
| 1000 | I | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 170.4 | -70.4 | 162.6 | 0 | 0 | 0 | 109.1 | L953 N955 V959 R960 V963 E996 F997 S1002 T1003 F1004 | L953-I1000 HydrophobicContact CG-CD1 4.26Å; N955-I1000 HydrophobicContact CB-CD1 4.33Å; N955-I1000 HydrophobicContact CB-CG1 3.71Å; V959-I1000 HydrophobicContact CG1-CD1 3.9Å; R960-I1000 HydrophobicContact CG-CG2 4.19Å; V963-I1000 HydrophobicContact CB-CG2 4.46Å; V963-I1000 HydrophobicContact CG1-CG2 4.46Å; V963-I1000 HydrophobicContact CG2-CG2 4.18Å; E996-I1000 HydrophobicContact CG-CD1 4.18Å; E996-I1000 WeakPolarHBondContact O-CG1 3.37Å; E996-I1000 PolarHBondContact O-N 3.2Å; F997-I1000 PolarHBondContact O-N 2.72Å; I1000-S1002 VanDerWaalsContact C-N 3.31Å; I1000-S1002 PolarHBondContact O-N 3.18Å; I1000-T1003 PolarHBondContact O-N 3.08Å; I1000-T1003 VanDerWaalsContact O-N 3.13Å; I1000-T1003 PolarHBondContact O-OG1 3.22Å; I1000-F1004 HydrophobicContact CG2-CE2 3.94Å; I1000-F1004 WeakPolarHBondContact O-CD2 3.39Å; I1000-F1004 VanDerWaalsContact O-CE2 3.28Å; I1000-F1004 WeakPolarHBondContact O-CE2 3.45Å |
| 1001 | L | 91.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | -177.9 | -169 | 59.6 | 0 | 0 | 0 | 112.9 | I967 F997 S998 T1003 F1004 Q1009 V1012 Y1013 | I967-L1001 HydrophobicContact CD1-CD1 4.48Å; F997-L1001 HydrophobicContact CE1-CD2 4.46Å; F997-L1001 VanDerWaalsContact O-CB 3.24Å; F997-L1001 WeakPolarHBondContact O-CB 3.21Å; F997-L1001 PolarHBondContact O-N 3.16Å; S998-L1001 PolarHBondContact O-N 2.88Å; L1001-T1003 PolarHBondContact O-N 3.44Å; L1001-F1004 HydrophobicContact CD1-CD2 4.37Å; L1001-F1004 PolarHBondContact O-N 3.41Å; L1001-Q1009 HydrophobicContact CD1-CG 4.46Å; L1001-Q1009 HydrophobicContact CG-CB 4.45Å; L1001-Q1009 HydrophobicContact CG-CG 4.21Å; L1001-Q1009 WeakPolarHBondContact O-CG 3.46Å; L1001-V1012 HydrophobicContact CD1-CB 4.09Å; L1001-V1012 HydrophobicContact CD1-CG1 4.43Å; L1001-V1012 HydrophobicContact CD1-CG2 3.87Å; L1001-V1012 HydrophobicContact CD2-CB 4.04Å; L1001-V1012 HydrophobicContact CD2-CG1 3.92Å; L1001-Y1013 HydrophobicContact CD2-CD2 4.38Å; L1001-Y1013 HydrophobicContact CD2-CE1 4.3Å; L1001-Y1013 HydrophobicContact CD2-CE2 3.86Å |
| 1002 | S | 91 | Very high | 89.6 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 54% | 0.538 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.1 | 177.7 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | S998 R999 I1000 F1004 | S998-S1002 PolarHBondContact O-N 3.48Å; R999-S1002 PolarHBondContact O-OG 3.04Å; I1000-S1002 VanDerWaalsContact C-N 3.31Å; I1000-S1002 PolarHBondContact O-N 3.18Å; S1002-F1004 VanDerWaalsContact C-N 3.3Å |
| 1003 | T | 91.1 | Very high | 89.6 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10 | 176.1 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | R960 I1000 L1001 | R960-T1003 WeakPolarHBondContact CD-OG1 3.26Å; I1000-T1003 PolarHBondContact O-N 3.08Å; I1000-T1003 VanDerWaalsContact O-N 3.13Å; I1000-T1003 PolarHBondContact O-OG1 3.22Å; L1001-T1003 PolarHBondContact O-N 3.44Å |
| 1004 | F | 91.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -96.2 | 160.7 | -179.7 | -62.6 | -78.4 | 0 | 0 | 0 | 112.8 | R960 V963 I1000 L1001 S1002 Y1008 Q1009 | R960-F1004 HydrophobicContact CB-CZ 4.1Å; R960-F1004 HydrophobicContact CG-CZ 4.33Å; R960-F1004 VanDerWaalsContact O-CZ 3.23Å; R960-F1004 WeakPolarHBondContact O-CZ 3.19Å; V963-F1004 HydrophobicContact CB-CE2 4.35Å; V963-F1004 HydrophobicContact CB-CZ 4.15Å; V963-F1004 HydrophobicContact CG1-CE2 3.81Å; V963-F1004 HydrophobicContact CG1-CZ 3.99Å; I1000-F1004 HydrophobicContact CG2-CE2 3.94Å; I1000-F1004 WeakPolarHBondContact O-CD2 3.39Å; I1000-F1004 VanDerWaalsContact O-CE2 3.28Å; I1000-F1004 WeakPolarHBondContact O-CE2 3.45Å; L1001-F1004 HydrophobicContact CD1-CD2 4.37Å; L1001-F1004 PolarHBondContact O-N 3.41Å; S1002-F1004 VanDerWaalsContact C-N 3.3Å; F1004-Y1008 HydrophobicContact CB-CD2 4.11Å; F1004-Y1008 HydrophobicContact CD1-CD2 4.07Å; F1004-Y1008 HydrophobicContact CG-CD2 4.4Å; F1004-Q1009 PolarHBondContact O-NE2 3.05Å |
| 1005 | S | 90.1 | Very high | 89.2 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | trans | -57.3 | 151 | 172.8 | 69.9 | 0 | 0 | 0 | 0 | 112 | A1007 Y1008 Q1009 | S1005-A1007 PolarHBondContact O-N 3.41Å; S1005-A1007 VanDerWaalsContact O-N 3.12Å; S1005-Y1008 PolarHBondContact O-N 3.18Å; S1005-Q1009 PolarHBondContact O-N 3.45Å | ||
| 1006 | R | 87.6 | Confident | 89 | Confident | 157 Ų | 157 | 55.7 Ų | 55.7 | 59% | 0.592 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56.2 | -34.6 | -175.7 | -170.8 | 65 | -164 | -157.7 | -5.1 | 113.4 | Y1008 Q1009 D1010 | R1006-Y1008 VanDerWaalsContact C-N 3.34Å; R1006-Y1008 PolarHBondContact O-N 2.95Å; R1006-Q1009 WeakPolarHBondContact O-CB 3.46Å; R1006-Q1009 PolarHBondContact O-N 3.14Å; R1006-D1010 IonicContact CZ-OD1 3.92Å; R1006-D1010 IonicContact NE-OD1 3.09Å; R1006-D1010 PolarHBondContact NE-OD1 2.77Å; R1006-D1010 IonicContact NE-OD2 2.82Å; R1006-D1010 IonicContact NH2-OD1 3.32Å; R1006-D1010 PolarHBondContact NH2-OD1 2.83Å; R1006-D1010 VanDerWaalsContact O-CG 3.29Å; R1006-D1010 PolarHBondContact O-N 3.29Å |
| 1007 | A | 87.3 | Confident | 88.2 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1005 T1011 | S1005-A1007 PolarHBondContact O-N 3.41Å; S1005-A1007 VanDerWaalsContact O-N 3.12Å; A1007-T1011 WeakPolarHBondContact O-CB 3.21Å; A1007-T1011 PolarHBondContact O-N 2.69Å; A1007-T1011 PolarHBondContact O-OG1 3.4Å |
| 1008 | Y | 90.7 | Very high | 87 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 173.6 | -76.3 | -32.7 | 0 | 0 | 0 | 111.2 | I967 F1004 S1005 R1006 D1010 T1011 V1012 | I967-Y1008 HydrophobicContact CB-CD1 4.36Å; I967-Y1008 HydrophobicContact CG2-CD1 3.35Å; I967-Y1008 HydrophobicContact CG2-CE1 3.78Å; I967-Y1008 HydrophobicContact CG2-CG 4.05Å; F1004-Y1008 HydrophobicContact CB-CD2 4.11Å; F1004-Y1008 HydrophobicContact CD1-CD2 4.07Å; F1004-Y1008 HydrophobicContact CG-CD2 4.4Å; S1005-Y1008 PolarHBondContact O-N 3.18Å; R1006-Y1008 VanDerWaalsContact C-N 3.34Å; R1006-Y1008 PolarHBondContact O-N 2.95Å; Y1008-D1010 PolarHBondContact O-N 3Å; Y1008-T1011 WeakPolarHBondContact O-CB 3.37Å; Y1008-T1011 PolarHBondContact O-N 2.95Å; Y1008-V1012 WeakPolarHBondContact O-CG2 3.38Å; Y1008-V1012 PolarHBondContact O-N 3.22Å |
| 1009 | Q | 90.5 | Very high | 85.4 | Confident | 28 Ų | 28 | 65 Ų | 65 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.9 | -53.3 | 175.4 | -56.1 | -178.4 | 11 | 0 | 0 | 111.3 | L1001 F1004 S1005 R1006 T1011 V1012 Y1013 | L1001-Q1009 HydrophobicContact CD1-CG 4.46Å; L1001-Q1009 HydrophobicContact CG-CB 4.45Å; L1001-Q1009 HydrophobicContact CG-CG 4.21Å; L1001-Q1009 WeakPolarHBondContact O-CG 3.46Å; F1004-Q1009 PolarHBondContact O-NE2 3.05Å; S1005-Q1009 PolarHBondContact O-N 3.45Å; R1006-Q1009 WeakPolarHBondContact O-CB 3.46Å; R1006-Q1009 PolarHBondContact O-N 3.14Å; Q1009-T1011 PolarHBondContact O-N 3.25Å; Q1009-V1012 PolarHBondContact O-N 2.92Å; Q1009-V1012 VanDerWaalsContact O-N 3.16Å; Q1009-Y1013 HydrophobicContact CB-CD2 4.29Å; Q1009-Y1013 HydrophobicContact CB-CE2 4.18Å; Q1009-Y1013 WeakPolarHBondContact O-CD2 3.39Å; Q1009-Y1013 PolarHBondContact O-N 2.95Å |
| 1010 | D | 87.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -25.1 | -179.4 | -65 | -24.5 | 0 | 0 | 0 | 112.8 | R1006 Y1008 R1014 | R1006-D1010 IonicContact CZ-OD1 3.92Å; R1006-D1010 IonicContact NE-OD1 3.09Å; R1006-D1010 PolarHBondContact NE-OD1 2.77Å; R1006-D1010 IonicContact NE-OD2 2.82Å; R1006-D1010 IonicContact NH2-OD1 3.32Å; R1006-D1010 PolarHBondContact NH2-OD1 2.83Å; R1006-D1010 VanDerWaalsContact O-CG 3.29Å; R1006-D1010 PolarHBondContact O-N 3.29Å; Y1008-D1010 PolarHBondContact O-N 3Å; D1010-R1014 WeakPolarHBondContact O-CB 3.41Å; D1010-R1014 WeakPolarHBondContact O-CG 3.49Å; D1010-R1014 PolarHBondContact O-N 3.37Å; D1010-R1014 PolarHBondContact O-NE 3.3Å |
| 1011 | T | 88 | Confident | 81 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.3 | -45.8 | 174.7 | -62 | 0 | 0 | 0 | 0 | 110.8 | A1007 Y1008 Q1009 R1014 F1015 | A1007-T1011 WeakPolarHBondContact O-CB 3.21Å; A1007-T1011 PolarHBondContact O-N 2.69Å; A1007-T1011 PolarHBondContact O-OG1 3.4Å; Y1008-T1011 WeakPolarHBondContact O-CB 3.37Å; Y1008-T1011 PolarHBondContact O-N 2.95Å; Q1009-T1011 PolarHBondContact O-N 3.25Å; T1011-R1014 PolarHBondContact O-N 2.88Å; T1011-F1015 HydrophobicContact CG2-CD2 4.48Å; T1011-F1015 HydrophobicContact CG2-CE2 3.68Å; T1011-F1015 HydrophobicContact CG2-CZ 4.2Å; T1011-F1015 VanDerWaalsContact O-CD2 3.25Å; T1011-F1015 WeakPolarHBondContact O-CD2 3.37Å; T1011-F1015 PolarHBondContact O-N 2.95Å |
| 1012 | V | 89.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | I967 L986 F997 L1001 Y1008 Q1009 R1014 F1015 L1016 | I967-V1012 HydrophobicContact CD1-CG2 3.67Å; I967-V1012 HydrophobicContact CG1-CG2 3.8Å; L986-V1012 HydrophobicContact CD1-CG2 4.3Å; L986-V1012 HydrophobicContact CD2-CG2 4.47Å; F997-V1012 HydrophobicContact CE1-CG1 3.86Å; F997-V1012 HydrophobicContact CZ-CG1 4.13Å; L1001-V1012 HydrophobicContact CD1-CB 4.09Å; L1001-V1012 HydrophobicContact CD1-CG1 4.43Å; L1001-V1012 HydrophobicContact CD1-CG2 3.87Å; L1001-V1012 HydrophobicContact CD2-CB 4.04Å; L1001-V1012 HydrophobicContact CD2-CG1 3.92Å; Y1008-V1012 WeakPolarHBondContact O-CG2 3.38Å; Y1008-V1012 PolarHBondContact O-N 3.22Å; Q1009-V1012 PolarHBondContact O-N 2.92Å; Q1009-V1012 VanDerWaalsContact O-N 3.16Å; V1012-R1014 VanDerWaalsContact C-N 3.25Å; V1012-R1014 PolarHBondContact O-N 3.44Å; V1012-F1015 PolarHBondContact O-N 2.89Å; V1012-L1016 HydrophobicContact CG1-CD1 3.98Å; V1012-L1016 HydrophobicContact CG1-CG 4.23Å; V1012-L1016 WeakPolarHBondContact O-CG 3.38Å; V1012-L1016 PolarHBondContact O-N 2.81Å |
| 1013 | Y | 88.1 | Confident | 75.6 | Confident | 83 Ų | 83 | 86 Ų | 86 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -31.2 | 178.6 | -73.7 | -58.5 | 0 | 0 | 0 | 113.3 | L1001 Q1009 L1016 N1017 | L1001-Y1013 HydrophobicContact CD2-CD2 4.38Å; L1001-Y1013 HydrophobicContact CD2-CE1 4.3Å; L1001-Y1013 HydrophobicContact CD2-CE2 3.86Å; Q1009-Y1013 HydrophobicContact CB-CD2 4.29Å; Q1009-Y1013 HydrophobicContact CB-CE2 4.18Å; Q1009-Y1013 WeakPolarHBondContact O-CD2 3.39Å; Q1009-Y1013 PolarHBondContact O-N 2.95Å; Y1013-L1016 HydrophobicContact CD1-CD1 4.21Å; Y1013-N1017 VanDerWaalsContact O-CB 3.31Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.47Å; Y1013-N1017 VanDerWaalsContact O-CG 3.27Å; Y1013-N1017 PolarHBondContact O-N 2.81Å; Y1013-N1017 PolarHBondContact O-ND2 3.17Å |
| 1014 | R | 84.8 | Confident | 72.7 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 171.7 | -88.2 | 177.8 | -88 | -179.3 | -10 | 112.4 | D1010 T1011 V1012 S1018 | D1010-R1014 WeakPolarHBondContact O-CB 3.41Å; D1010-R1014 WeakPolarHBondContact O-CG 3.49Å; D1010-R1014 PolarHBondContact O-N 3.37Å; D1010-R1014 PolarHBondContact O-NE 3.3Å; T1011-R1014 PolarHBondContact O-N 2.88Å; V1012-R1014 VanDerWaalsContact C-N 3.25Å; V1012-R1014 PolarHBondContact O-N 3.44Å; R1014-S1018 PolarHBondContact O-N 3.34Å |
| 1015 | F | 83 | Confident | 69.6 | Low | 52 Ų | 52 | 93.9 Ų | 93.9 | 23% | 0.228 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -72.3 | -42.5 | 178.3 | -58.6 | -46.3 | 0 | 0 | 0 | 112.4 | T970 Q983 T1011 V1012 N1017 S1018 Q1019 | T970-F1015 HydrophobicContact CG2-CE2 3.91Å; Q983-F1015 HydrophobicContact CG-CD1 4.04Å; Q983-F1015 HydrophobicContact CG-CD2 4.03Å; Q983-F1015 HydrophobicContact CG-CE1 4.09Å; Q983-F1015 HydrophobicContact CG-CE2 4.05Å; Q983-F1015 HydrophobicContact CG-CG 4.03Å; Q983-F1015 HydrophobicContact CG-CZ 4.09Å; T1011-F1015 HydrophobicContact CG2-CD2 4.48Å; T1011-F1015 HydrophobicContact CG2-CE2 3.68Å; T1011-F1015 HydrophobicContact CG2-CZ 4.2Å; T1011-F1015 VanDerWaalsContact O-CD2 3.25Å; T1011-F1015 WeakPolarHBondContact O-CD2 3.37Å; T1011-F1015 PolarHBondContact O-N 2.95Å; V1012-F1015 PolarHBondContact O-N 2.89Å; F1015-N1017 PolarHBondContact O-N 3.24Å; F1015-S1018 WeakPolarHBondContact O-CB 3.36Å; F1015-S1018 PolarHBondContact O-N 3.31Å; F1015-Q1019 PolarHBondContact O-N 3.27Å |
| 1016 | L | 82 | Confident | 66.9 | Low | 11 Ų | 11 | 95.2 Ų | 95.2 | 6% | 0.058 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.8 | -63.4 | 177 | 0 | 0 | 0 | 111.9 | V987 F990 V1012 Y1013 S1018 Q1019 K1020 | V987-L1016 HydrophobicContact CG2-CD2 4.16Å; F990-L1016 HydrophobicContact CB-CD1 4.28Å; F990-L1016 HydrophobicContact CB-CD2 3.63Å; F990-L1016 HydrophobicContact CD1-CD1 4.36Å; F990-L1016 HydrophobicContact CD1-CD2 3.84Å; F990-L1016 HydrophobicContact CD2-CD1 3.63Å; F990-L1016 HydrophobicContact CD2-CD2 4.36Å; F990-L1016 HydrophobicContact CE2-CD1 4.02Å; F990-L1016 HydrophobicContact CG-CD1 3.82Å; F990-L1016 HydrophobicContact CG-CD2 3.67Å; F990-L1016 HydrophobicContact CG-CG 4.39Å; V1012-L1016 HydrophobicContact CG1-CD1 3.98Å; V1012-L1016 HydrophobicContact CG1-CG 4.23Å; V1012-L1016 WeakPolarHBondContact O-CG 3.38Å; V1012-L1016 PolarHBondContact O-N 2.81Å; Y1013-L1016 HydrophobicContact CD1-CD1 4.21Å; L1016-S1018 VanDerWaalsContact C-N 3.3Å; L1016-S1018 PolarHBondContact O-N 2.99Å; L1016-Q1019 PolarHBondContact O-N 3.04Å; L1016-K1020 PolarHBondContact O-N 3.38Å |
| 1017 | N | 73.6 | Confident | 64.3 | Low | 91 Ų | 91 | 91 Ų | 91 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.9 | -24.8 | 177.8 | -71.7 | -21.6 | 0 | 0 | 0 | 113.3 | Y1013 F1015 | Y1013-N1017 VanDerWaalsContact O-CB 3.31Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.47Å; Y1013-N1017 VanDerWaalsContact O-CG 3.27Å; Y1013-N1017 PolarHBondContact O-N 2.81Å; Y1013-N1017 PolarHBondContact O-ND2 3.17Å; F1015-N1017 PolarHBondContact O-N 3.24Å |
| 1018 | S | 66.2 | Low | 61.7 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 174.7 | -167.6 | 0 | 0 | 0 | 0 | 112.6 | R1014 F1015 L1016 | R1014-S1018 PolarHBondContact O-N 3.34Å; F1015-S1018 WeakPolarHBondContact O-CB 3.36Å; F1015-S1018 PolarHBondContact O-N 3.31Å; L1016-S1018 VanDerWaalsContact C-N 3.3Å; L1016-S1018 PolarHBondContact O-N 2.99Å |
| 1019 | Q | 57.6 | Low | 58.7 | Low | 105 Ų | 105 | 96.1 Ų | 96.1 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.5 | -36.1 | 179.6 | -70.9 | -66.1 | -16.4 | 0 | 0 | 112.4 | V987 F1015 L1016 R1021 H1022 | V987-Q1019 HydrophobicContact CG2-CG 4.07Å; F1015-Q1019 PolarHBondContact O-N 3.27Å; L1016-Q1019 PolarHBondContact O-N 3.04Å; Q1019-R1021 PolarHBondContact O-N 3.37Å; Q1019-H1022 PolarHBondContact O-N 3.24Å |
| 1020 | K | 50.4 | Low | 55.7 | Low | 146 Ų | 146 | 106.4 Ų | 106.4 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -15.8 | 176.9 | -75.1 | -171.3 | 175 | -173.6 | 0 | 115 | L1016 | L1016-K1020 PolarHBondContact O-N 3.38Š|
| 1021 | R | 39.3 | Very low | 52.9 | Low | 219 Ų | 219 | 110.5 Ų | 110.5 | 83% | 0.826 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -3.2 | 176.8 | -66 | -177 | -177.2 | 166.6 | 0.7 | 114.3 | Q1019 | Q1019-R1021 PolarHBondContact O-N 3.37Š|
| 1022 | H | 38.1 | Very low | 50 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -121.3 | 6.8 | -174.2 | -100.4 | -63.6 | 0 | 0 | 0 | 114.9 | Q1019 | Q1019-H1022 PolarHBondContact O-N 3.24Š|
| 1023 | L | 30.9 | Very low | 47 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | trans | -98.5 | 121.3 | 174.8 | -119 | 71.5 | 0 | 0 | 0 | 111.1 | I1026 | L1023-I1026 HydrophobicContact CG-CD1 4.31Š| ||
| 1024 | P | 30.2 | Very low | 44.2 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -64.1 | 172.4 | 154.1 | -12.8 | 29.2 | 0 | 0 | 0 | 110.3 | I1026 | P1024-I1026 PolarHBondContact O-N 3.05Š| ||
| 1025 | D | 26.4 | Very low | 41.5 | Very low | 163 Ų | 163 | 119.2 Ų | 119.2 | 87% | 0.872 | 63% | 0.63 | S | S | * | * | trans | -69.5 | 89.8 | -178.6 | -163 | -2.1 | 0 | 0 | 0 | 112.2 | ||||
| 1026 | I | 33.2 | Very low | 38.8 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 52% | 0.523 | 64% | 0.641 | S | S | . | * | trans | -102 | 50.8 | 179.9 | -55.1 | 170 | 0 | 0 | 0 | 109.3 | L1023 P1024 L1029 | L1023-I1026 HydrophobicContact CG-CD1 4.31Å; P1024-I1026 PolarHBondContact O-N 3.05Å; I1026-L1029 HydrophobicContact CG2-CB 4.17Å | ||
| 1027 | G | 33.6 | Very low | 36.3 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -75.8 | -22.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1028 | S | 31.5 | Very low | 34.1 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -118.5 | 10.4 | -165.9 | -164.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1029 | L | 29.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | trans | -123.8 | 54.8 | 178.8 | -81.2 | 164.5 | 0 | 0 | 0 | 111.9 | I1026 I1031 | I1026-L1029 HydrophobicContact CG2-CB 4.17Å; L1029-I1031 PolarHBondContact O-N 2.99Å; L1029-I1031 VanDerWaalsContact O-N 3.09Å | ||
| 1030 | R | 25.9 | Very low | 30.7 | Very low | 243 Ų | 243 | 138.6 Ų | 138.6 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | -76.6 | 77.3 | 157.6 | -74.3 | -170.8 | 177.9 | -168 | 0.5 | 109.5 | G1032 | R1030-G1032 VanDerWaalsContact C-N 3.35Å; R1030-G1032 PolarHBondContact O-N 3.4Å; R1030-G1032 VanDerWaalsContact O-N 3.14Å | ||
| 1031 | I | 29 | Very low | 29.6 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | -73.3 | 99.9 | 156 | -60.6 | 179.7 | 0 | 0 | 0 | 105.5 | L1029 | L1029-I1031 PolarHBondContact O-N 2.99Å; L1029-I1031 VanDerWaalsContact O-N 3.09Å | ||
| 1032 | G | 27.4 | Very low | 28.9 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 139.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1030 A1034 | R1030-G1032 VanDerWaalsContact C-N 3.35Å; R1030-G1032 PolarHBondContact O-N 3.4Å; R1030-G1032 VanDerWaalsContact O-N 3.14Å; G1032-A1034 PolarHBondContact O-N 3.22Å; G1032-A1034 VanDerWaalsContact O-N 3.08Å | ||
| 1033 | N | 27.6 | Very low | 28.4 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 108.2 | 175.3 | -75 | -27.2 | 0 | 0 | 0 | 110 | H946 Y1035 | H946-N1033 PolarHBondContact O-ND2 2.99Å; N1033-Y1035 PolarHBondContact O-N 3.05Å | ||
| 1034 | A | 28.2 | Very low | 28.3 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 48.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1032 | G1032-A1034 PolarHBondContact O-N 3.22Å; G1032-A1034 VanDerWaalsContact O-N 3.08Å |
| 1035 | Y | 29 | Very low | 28.4 | Very low | 204 Ų | 204 | 133 Ų | 133 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 15.6 | -176.7 | -73.6 | -71 | 0 | 0 | 0 | 114.4 | N1033 | N1033-Y1035 PolarHBondContact O-N 3.05Š|
| 1036 | N | 26 | Very low | 29 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 46% | 0.46 | 73% | 0.727 | S | S | . | * | trans | -144.7 | 55.2 | 178.1 | -129.6 | 2.3 | 0 | 0 | 0 | 113.6 | V947 | V947-N1036 PolarHBondContact O-ND2 3.01Š| ||
| 1037 | E | 29.3 | Very low | 29.2 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | trans | -121.8 | 67 | 160 | -82.5 | -166.9 | 157.3 | 0 | 0 | 110.2 | ||||
| 1038 | K | 27.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -138.8 | 117.2 | 160.6 | -72.3 | -169.8 | 177.9 | 178.6 | 0 | 108.9 | ||
| 1039 | S | 25.5 | Very low | 29.9 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 81.6 | 133.6 | -176.3 | 75.3 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1040 | N | 26.3 | Very low | 30.8 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | 69.3 | 69.2 | 172.4 | -71.9 | 3.1 | 0 | 0 | 0 | 120.3 | ||||
| 1041 | F | 28 | Very low | 32 | Very low | 207 Ų | 207 | 125.5 Ų | 125.5 | 91% | 0.908 | 68% | 0.678 | S | S | * | * | -133.7 | 151.4 | 128 | -91.3 | -81.5 | 0 | 0 | 0 | 109.3 | |||||
| 1042 | P | 25 | Very low | 32.6 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 59% | 0.591 | 67% | 0.669 | S | S | * | * | trans | -85.4 | 144.5 | -162.4 | 33.8 | -34.3 | 0 | 0 | 0 | 113.5 | D1044 | P1042-D1044 VanDerWaalsContact C-N 3.27Å; P1042-D1044 PolarHBondContact O-N 2.84Å | ||
| 1043 | S | 26.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 41 | 10.6 | 138.5 | -47.5 | 0 | 0 | 0 | 0 | 123.5 | ||
| 1044 | D | 29.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 27.3 | -178.2 | -73 | -33.5 | 0 | 0 | 0 | 114.3 | P1042 E1046 H1047 | P1042-D1044 VanDerWaalsContact C-N 3.27Å; P1042-D1044 PolarHBondContact O-N 2.84Å; D1044-E1046 PolarHBondContact O-N 3.35Å; D1044-H1047 HydrophobicContact CB-CB 4.21Å; D1044-H1047 PolarHBondContact O-N 3.43Å |
| 1045 | S | 32 | Very low | 36.6 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.9 | -22.2 | 170.8 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1046 | E | 37.7 | Very low | 37.3 | Very low | 155 Ų | 155 | 118.9 Ų | 118.9 | 72% | 0.724 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.8 | -32.2 | 169.2 | -72.6 | -171.4 | 146.4 | 0 | 0 | 111.6 | D1044 H1049 D1050 | D1044-E1046 PolarHBondContact O-N 3.35Å; E1046-H1049 CarbonylContact O-C 3.57Å; E1046-H1049 PolarHBondContact O-N 3.16Å; E1046-D1050 WeakPolarHBondContact O-CA 3.34Å; E1046-D1050 WeakPolarHBondContact O-CB 3.37Å; E1046-D1050 PolarHBondContact O-N 3.5Å |
| 1047 | H | 37.3 | Very low | 39 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.4 | -35.1 | -174.5 | -150 | 73.9 | 0 | 0 | 0 | 113.5 | D1044 D1050 I1051 | D1044-H1047 HydrophobicContact CB-CB 4.21Å; D1044-H1047 PolarHBondContact O-N 3.43Å; H1047-D1050 PolarHBondContact O-N 2.83Å; H1047-I1051 WeakPolarHBondContact O-CB 3.43Å; H1047-I1051 WeakPolarHBondContact O-CG1 3.34Å; H1047-I1051 PolarHBondContact O-N 2.7Å |
| 1048 | V | 37.3 | Very low | 39.9 | Very low | 94 Ų | 94 | 114.4 Ų | 114.4 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.2 | -37.5 | 172 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | D1050 I1051 L1052 | V1048-D1050 VanDerWaalsContact C-N 3.35Å; V1048-I1051 PolarHBondContact O-N 3.5Å; V1048-L1052 HydrophobicContact CG1-CD1 4.08Å; V1048-L1052 WeakPolarHBondContact O-CB 3.44Å; V1048-L1052 WeakPolarHBondContact O-CG 3.17Å; V1048-L1052 PolarHBondContact O-N 3.12Å |
| 1049 | H | 42.7 | Very low | 40.7 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -34.9 | 173.3 | -119.7 | -49.3 | 0 | 0 | 0 | 112.1 | E1046 K1053 | E1046-H1049 CarbonylContact O-C 3.57Å; E1046-H1049 PolarHBondContact O-N 3.16Å; H1049-K1053 WeakPolarHBondContact O-CA 3.15Å; H1049-K1053 WeakPolarHBondContact O-CB 3.49Å; H1049-K1053 PolarHBondContact O-N 2.88Å |
| 1050 | D | 48.4 | Very low | 41.6 | Very low | 76 Ų | 76 | 111.9 Ų | 111.9 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -77.5 | -25.5 | 175.4 | -87 | -10.3 | 0 | 0 | 0 | 112.8 | E1046 H1047 V1048 K1054 | E1046-D1050 WeakPolarHBondContact O-CA 3.34Å; E1046-D1050 WeakPolarHBondContact O-CB 3.37Å; E1046-D1050 PolarHBondContact O-N 3.5Å; H1047-D1050 PolarHBondContact O-N 2.83Å; V1048-D1050 VanDerWaalsContact C-N 3.35Å; D1050-K1054 WeakPolarHBondContact O-CA 3.49Å; D1050-K1054 WeakPolarHBondContact O-CB 3.45Å; D1050-K1054 VanDerWaalsContact O-CG 3.23Å; D1050-K1054 WeakPolarHBondContact O-CG 3.07Å; D1050-K1054 PolarHBondContact O-N 2.74Å |
| 1051 | I | 51.6 | Low | 42.6 | Very low | 88 Ų | 88 | 112.2 Ų | 112.2 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.9 | -44 | 168.7 | -74.3 | 165.7 | 0 | 0 | 0 | 109.9 | H1047 V1048 K1053 K1054 T1055 | H1047-I1051 WeakPolarHBondContact O-CB 3.43Å; H1047-I1051 WeakPolarHBondContact O-CG1 3.34Å; H1047-I1051 PolarHBondContact O-N 2.7Å; V1048-I1051 PolarHBondContact O-N 3.5Å; I1051-K1053 VanDerWaalsContact C-N 3.34Å; I1051-K1054 PolarHBondContact O-N 3.46Å; I1051-T1055 PolarHBondContact O-N 3.28Å; I1051-T1055 PolarHBondContact O-OG1 3.18Å |
| 1052 | L | 42.2 | Very low | 42.7 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 55% | 0.55 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -34.5 | 174.4 | -72.5 | 170.5 | 0 | 0 | 0 | 112.1 | V1048 T1055 S1056 | V1048-L1052 HydrophobicContact CG1-CD1 4.08Å; V1048-L1052 WeakPolarHBondContact O-CB 3.44Å; V1048-L1052 WeakPolarHBondContact O-CG 3.17Å; V1048-L1052 PolarHBondContact O-N 3.12Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.23Å; L1052-T1055 PolarHBondContact O-OG1 2.91Å; L1052-S1056 WeakPolarHBondContact O-CB 3.45Å; L1052-S1056 PolarHBondContact O-N 3.45Å |
| 1053 | K | 61.3 | Low | 43.2 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 47% | 0.474 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.9 | -35.9 | 175.1 | -174 | -178 | 175.1 | -161.7 | 0 | 111.3 | H1049 I1051 S1056 E1057 | H1049-K1053 WeakPolarHBondContact O-CA 3.15Å; H1049-K1053 WeakPolarHBondContact O-CB 3.49Å; H1049-K1053 PolarHBondContact O-N 2.88Å; I1051-K1053 VanDerWaalsContact C-N 3.34Å; K1053-S1056 CarbonylContact O-C 3.6Å; K1053-S1056 PolarHBondContact O-N 3.36Å; K1053-E1057 WeakPolarHBondContact CE-OE1 3.31Å; K1053-E1057 HydrophobicContact CG-CG 4.29Å; K1053-E1057 WeakPolarHBondContact CG-OE1 3.5Å; K1053-E1057 WeakPolarHBondContact O-CA 2.93Å; K1053-E1057 WeakPolarHBondContact O-CB 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.14Å; K1053-E1057 PolarHBondContact O-N 2.84Å |
| 1054 | K | 60.8 | Low | 43.4 | Very low | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | 168 | -87.6 | 180 | 172.8 | 175.8 | 0 | 112.2 | D1050 I1051 E1057 E1058 | D1050-K1054 WeakPolarHBondContact O-CA 3.49Å; D1050-K1054 WeakPolarHBondContact O-CB 3.45Å; D1050-K1054 VanDerWaalsContact O-CG 3.23Å; D1050-K1054 WeakPolarHBondContact O-CG 3.07Å; D1050-K1054 PolarHBondContact O-N 2.74Å; I1051-K1054 PolarHBondContact O-N 3.46Å; K1054-E1057 CarbonylContact O-C 3.45Å; K1054-E1057 PolarHBondContact O-N 3.45Å; K1054-E1058 VanDerWaalsContact O-CB 3.27Å; K1054-E1058 WeakPolarHBondContact O-CB 3.37Å; K1054-E1058 WeakPolarHBondContact O-CG 3.41Å; K1054-E1058 PolarHBondContact O-N 3.38Å |
| 1055 | T | 44.3 | Very low | 43.6 | Very low | 64 Ų | 64 | 112 Ų | 112 | 39% | 0.393 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -38.7 | 174.4 | 38.8 | 0 | 0 | 0 | 0 | 111 | I1051 L1052 E1058 I1059 | I1051-T1055 PolarHBondContact O-N 3.28Å; I1051-T1055 PolarHBondContact O-OG1 3.18Å; L1052-T1055 WeakPolarHBondContact CA-OG1 3.23Å; L1052-T1055 PolarHBondContact O-OG1 2.91Å; T1055-E1058 PolarHBondContact O-N 2.98Å; T1055-I1059 VanDerWaalsContact O-CB 3.29Å; T1055-I1059 WeakPolarHBondContact O-CB 3.29Å; T1055-I1059 WeakPolarHBondContact O-CD1 3.31Å; T1055-I1059 WeakPolarHBondContact O-CG1 3.31Å; T1055-I1059 PolarHBondContact O-N 3.44Å |
| 1056 | S | 43.9 | Very low | 43.6 | Very low | 53 Ų | 53 | 114.8 Ų | 114.8 | 37% | 0.371 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -38.9 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | L1052 K1053 Q1060 | L1052-S1056 WeakPolarHBondContact O-CB 3.45Å; L1052-S1056 PolarHBondContact O-N 3.45Å; K1053-S1056 CarbonylContact O-C 3.6Å; K1053-S1056 PolarHBondContact O-N 3.36Å; S1056-Q1060 WeakPolarHBondContact O-CB 3.4Å; S1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; S1056-Q1060 PolarHBondContact O-N 2.86Å |
| 1057 | E | 60.7 | Low | 43.3 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.6 | -28.2 | 179.2 | -76.1 | 175.2 | -173.4 | 0 | 0 | 112.1 | K1053 K1054 Q1060 K1061 | K1053-E1057 WeakPolarHBondContact CE-OE1 3.31Å; K1053-E1057 HydrophobicContact CG-CG 4.29Å; K1053-E1057 WeakPolarHBondContact CG-OE1 3.5Å; K1053-E1057 WeakPolarHBondContact O-CA 2.93Å; K1053-E1057 WeakPolarHBondContact O-CB 3.41Å; K1053-E1057 WeakPolarHBondContact O-CG 3.14Å; K1053-E1057 PolarHBondContact O-N 2.84Å; K1054-E1057 CarbonylContact O-C 3.45Å; K1054-E1057 PolarHBondContact O-N 3.45Å; E1057-Q1060 CarbonylContact O-C 3.57Å; E1057-K1061 WeakPolarHBondContact O-CB 3.41Å; E1057-K1061 WeakPolarHBondContact O-CD 3.5Å; E1057-K1061 WeakPolarHBondContact O-CG 3.37Å; E1057-K1061 PolarHBondContact O-N 3.27Å |
| 1058 | E | 49 | Very low | 43.1 | Very low | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.1 | -43.3 | 169.1 | -80.3 | -172.4 | 161.8 | 0 | 0 | 110.6 | K1054 T1055 Q1060 K1061 Y1062 | K1054-E1058 VanDerWaalsContact O-CB 3.27Å; K1054-E1058 WeakPolarHBondContact O-CB 3.37Å; K1054-E1058 WeakPolarHBondContact O-CG 3.41Å; K1054-E1058 PolarHBondContact O-N 3.38Å; T1055-E1058 PolarHBondContact O-N 2.98Å; E1058-Q1060 PolarHBondContact O-N 3.36Å; E1058-K1061 PolarHBondContact O-N 3Å; E1058-Y1062 VanDerWaalsContact O-CD2 3.25Å; E1058-Y1062 WeakPolarHBondContact O-CD2 3.39Å |
| 1059 | I | 43.4 | Very low | 43 | Very low | 111 Ų | 111 | 112 Ų | 112 | 57% | 0.569 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.1 | -34.1 | 171.8 | -70.4 | 165.2 | 0 | 0 | 0 | 111 | T1055 | T1055-I1059 VanDerWaalsContact O-CB 3.29Å; T1055-I1059 WeakPolarHBondContact O-CB 3.29Å; T1055-I1059 WeakPolarHBondContact O-CD1 3.31Å; T1055-I1059 WeakPolarHBondContact O-CG1 3.31Å; T1055-I1059 PolarHBondContact O-N 3.44Å |
| 1060 | Q | 46.3 | Very low | 42.4 | Very low | 146 Ų | 146 | 111.2 Ų | 111.2 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -12.4 | 173.9 | -72.7 | 171.7 | 3.1 | 0 | 0 | 114.7 | S1056 E1057 E1058 | S1056-Q1060 WeakPolarHBondContact O-CB 3.4Å; S1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; S1056-Q1060 PolarHBondContact O-N 2.86Å; E1057-Q1060 CarbonylContact O-C 3.57Å; E1058-Q1060 PolarHBondContact O-N 3.36Å |
| 1061 | K | 45.5 | Very low | 41.4 | Very low | 153 Ų | 153 | 111.5 Ų | 111.5 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.7 | 176.8 | -90 | 165.9 | -177.6 | 163.1 | 0 | 113.8 | E1057 E1058 P1063 | E1057-K1061 WeakPolarHBondContact O-CB 3.41Å; E1057-K1061 WeakPolarHBondContact O-CD 3.5Å; E1057-K1061 WeakPolarHBondContact O-CG 3.37Å; E1057-K1061 PolarHBondContact O-N 3.27Å; E1058-K1061 PolarHBondContact O-N 3Å; K1061-P1063 VanDerWaalsContact O-CD 3.3Å; K1061-P1063 WeakPolarHBondContact O-CD 3.4Å |
| 1062 | Y | 31.4 | Very low | 40.6 | Very low | 176 Ų | 176 | 112.6 Ų | 112.6 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -84.3 | 111.2 | 167.3 | -70.9 | -78.2 | 0 | 0 | 0 | 109 | E1058 F1064 | E1058-Y1062 VanDerWaalsContact O-CD2 3.25Å; E1058-Y1062 WeakPolarHBondContact O-CD2 3.39Å; Y1062-F1064 WeakPolarHBondContact O-CD2 3.49Å; Y1062-F1064 PolarHBondContact O-N 3.23Å; Y1062-F1064 VanDerWaalsContact O-N 3.09Å |
| 1063 | P | 34.8 | Very low | 40 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | trans | -68.9 | 111.2 | 177.2 | 28.3 | -32.7 | 0 | 0 | 0 | 108.9 | K1061 S1065 | K1061-P1063 VanDerWaalsContact O-CD 3.3Å; K1061-P1063 WeakPolarHBondContact O-CD 3.4Å; P1063-S1065 PolarHBondContact O-N 3.1Å | ||
| 1064 | F | 31.9 | Very low | 38.6 | Very low | 153 Ų | 153 | 118.6 Ų | 118.6 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 40.2 | 174.8 | -81.7 | -89.9 | 0 | 0 | 0 | 112.7 | Y1062 | Y1062-F1064 WeakPolarHBondContact O-CD2 3.49Å; Y1062-F1064 PolarHBondContact O-N 3.23Å; Y1062-F1064 VanDerWaalsContact O-N 3.09Å |
| 1065 | S | 33 | Very low | 37.4 | Very low | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -13.6 | -176.3 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | P1063 | P1063-S1065 PolarHBondContact O-N 3.1Š|
| 1066 | D | 32.6 | Very low | 36.7 | Very low | 156 Ų | 156 | 114 Ų | 114 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -109.2 | 7.2 | -179 | -76.5 | -36.7 | 0 | 0 | 0 | 114.5 | ||
| 1067 | L | 31.2 | Very low | 36.2 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 53% | 0.534 | 67% | 0.673 | S | S | . | * | trans | -99.5 | 13.9 | 176.2 | -98.3 | 89.5 | 0 | 0 | 0 | 115 | A1069 L1070 | L1067-A1069 PolarHBondContact O-N 2.85Å; L1067-L1070 HydrophobicContact CD2-CD1 4.28Å; L1067-L1070 HydrophobicContact CG-CD1 4.45Å; L1067-L1070 PolarHBondContact O-N 2.9Å | ||
| 1068 | A | 33 | Very low | 35.1 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 87% | 0.868 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -4.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1069 | A | 34.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 4.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1067 | L1067-A1069 PolarHBondContact O-N 2.85Š|
| 1070 | L | 30.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | trans | -127.5 | 36.4 | -175.6 | -78.1 | 168.9 | 0 | 0 | 0 | 114 | L1067 S1072 | L1067-L1070 HydrophobicContact CD2-CD1 4.28Å; L1067-L1070 HydrophobicContact CG-CD1 4.45Å; L1067-L1070 PolarHBondContact O-N 2.9Å; L1070-S1072 VanDerWaalsContact C-N 3.29Å; L1070-S1072 PolarHBondContact O-N 3.49Å | ||
| 1071 | G | 28.2 | Very low | 33.5 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 84% | 0.835 | 67% | 0.674 | S | S | * | * | trans | -74.7 | 66.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1072 | S | 33.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | trans | -158.9 | 29.1 | -178.8 | -149.1 | 0 | 0 | 0 | 0 | 116.6 | L1070 | L1070-S1072 VanDerWaalsContact C-N 3.29Å; L1070-S1072 PolarHBondContact O-N 3.49Å | ||
| 1073 | M | 31 | Very low | 33.3 | Very low | 170 Ų | 170 | 105.4 Ų | 105.4 | 84% | 0.837 | 64% | 0.642 | S | S | * | * | trans | -135.4 | 22 | -173 | -63 | -163.4 | 89.7 | 0 | 0 | 117.4 | ||||
| 1074 | D | 30.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 109 Ų | 109 | 91% | 0.914 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -121.9 | 7.2 | 179.4 | -131 | -0.1 | 0 | 0 | 0 | 115.7 | ||
| 1075 | S | 34.9 | Very low | 33.6 | Very low | 72 Ų | 72 | 105 Ų | 105 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -97.1 | -16.1 | 166.8 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | I1077 V1078 D1079 | S1075-I1077 VanDerWaalsContact C-N 3.33Å; S1075-I1077 PolarHBondContact O-N 3.32Å; S1075-I1077 VanDerWaalsContact O-N 3.12Å; S1075-V1078 PolarHBondContact O-N 3.45Å; S1075-V1078 VanDerWaalsContact O-N 3.16Å; S1075-D1079 WeakPolarHBondContact CB-OD2 3.36Å; S1075-D1079 PolarHBondContact O-N 3.05Å; S1075-D1079 VanDerWaalsContact O-N 3.07Å; S1075-D1079 PolarHBondContact OG-OD2 2.99Å |
| 1076 | G | 30.1 | Very low | 33.8 | Very low | 32 Ų | 32 | 107.1 Ų | 107.1 | 33% | 0.33 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.1 | -28.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | V1080 | G1076-V1080 WeakPolarHBondContact O-CB 3.4Å; G1076-V1080 WeakPolarHBondContact O-CG2 3.34Å; G1076-V1080 PolarHBondContact O-N 2.96Å |
| 1077 | I | 33.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 106.6 Ų | 106.6 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.1 | -27.9 | -177.9 | -66.5 | 176.2 | 0 | 0 | 0 | 112.1 | S1075 | S1075-I1077 VanDerWaalsContact C-N 3.33Å; S1075-I1077 PolarHBondContact O-N 3.32Å; S1075-I1077 VanDerWaalsContact O-N 3.12Å |
| 1078 | V | 37.4 | Very low | 33.7 | Very low | 111 Ų | 111 | 102.8 Ų | 102.8 | 67% | 0.673 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -83.9 | -41.5 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | S1075 V1080 V1081 D1082 | S1075-V1078 PolarHBondContact O-N 3.45Å; S1075-V1078 VanDerWaalsContact O-N 3.16Å; V1078-V1080 PolarHBondContact O-N 3.16Å; V1078-V1081 PolarHBondContact O-N 3.09Å; V1078-D1082 PolarHBondContact O-N 3.33Å |
| 1079 | D | 36.6 | Very low | 33.7 | Very low | 72 Ų | 72 | 101.3 Ų | 101.3 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.1 | -30.6 | 177.6 | -69 | -32.2 | 0 | 0 | 0 | 113.3 | S1075 V1081 N1083 | S1075-D1079 WeakPolarHBondContact CB-OD2 3.36Å; S1075-D1079 PolarHBondContact O-N 3.05Å; S1075-D1079 VanDerWaalsContact O-N 3.07Å; S1075-D1079 PolarHBondContact OG-OD2 2.99Å; D1079-V1081 VanDerWaalsContact C-N 3.33Å; D1079-N1083 WeakPolarHBondContact O-CB 3.21Å; D1079-N1083 VanDerWaalsContact O-CG 3.29Å; D1079-N1083 PolarHBondContact O-N 3.49Å; D1079-N1083 PolarHBondContact O-ND2 3.42Å |
| 1080 | V | 33.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -36.2 | 174.4 | 161.3 | 0 | 0 | 0 | 0 | 111.2 | G1076 V1078 F1084 | G1076-V1080 WeakPolarHBondContact O-CB 3.4Å; G1076-V1080 WeakPolarHBondContact O-CG2 3.34Å; G1076-V1080 PolarHBondContact O-N 2.96Å; V1078-V1080 PolarHBondContact O-N 3.16Å; V1080-F1084 WeakPolarHBondContact O-CB 3.18Å; V1080-F1084 PolarHBondContact O-N 3.37Å |
| 1081 | V | 35.7 | Very low | 33.3 | Very low | 90 Ų | 90 | 103.2 Ų | 103.2 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.1 | -43.3 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | V1078 D1079 F1084 L1085 | V1078-V1081 PolarHBondContact O-N 3.09Å; D1079-V1081 VanDerWaalsContact C-N 3.33Å; V1081-F1084 PolarHBondContact O-N 2.85Å; V1081-L1085 WeakPolarHBondContact O-CG 3.46Å; V1081-L1085 PolarHBondContact O-N 3Å |
| 1082 | D | 37.3 | Very low | 33.3 | Very low | 58 Ų | 58 | 105 Ų | 105 | 31% | 0.31 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.6 | -33 | 176.7 | -114 | 2.1 | 0 | 0 | 0 | 112.1 | V1078 L1085 R1086 R1182 | V1078-D1082 PolarHBondContact O-N 3.33Å; D1082-L1085 PolarHBondContact O-N 3.07Å; D1082-R1086 WeakPolarHBondContact O-CB 3.49Å; D1082-R1086 PolarHBondContact O-N 3.34Å; D1082-R1086 VanDerWaalsContact O-N 3.11Å; D1082-R1182 IonicContact OD2-CZ 2.71Å; D1082-R1182 IonicContact OD2-NH1 2.73Å; D1082-R1182 PolarHBondContact OD2-NH1 3.44Å; D1082-R1182 IonicContact OD2-NH2 3.14Å |
| 1083 | N | 33.9 | Very low | 33.1 | Very low | 72 Ų | 72 | 106 Ų | 106 | 39% | 0.385 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.5 | -32.4 | 173.7 | -76.8 | -52.7 | 0 | 0 | 0 | 113.6 | D1079 L1085 R1086 N1087 | D1079-N1083 WeakPolarHBondContact O-CB 3.21Å; D1079-N1083 VanDerWaalsContact O-CG 3.29Å; D1079-N1083 PolarHBondContact O-N 3.49Å; D1079-N1083 PolarHBondContact O-ND2 3.42Å; N1083-L1085 PolarHBondContact O-N 3.05Å; N1083-R1086 PolarHBondContact O-N 3.17Å; N1083-N1087 PolarHBondContact O-N 2.98Å; N1083-N1087 VanDerWaalsContact O-N 3.13Å |
| 1084 | F | 32.4 | Very low | 32.9 | Very low | 179 Ų | 179 | 101.8 Ų | 101.8 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.5 | -29.7 | 170.9 | -131.6 | -96.1 | 0 | 0 | 0 | 111.8 | V1080 V1081 | V1080-F1084 WeakPolarHBondContact O-CB 3.18Å; V1080-F1084 PolarHBondContact O-N 3.37Å; V1081-F1084 PolarHBondContact O-N 2.85Å |
| 1085 | L | 40.6 | Very low | 32.6 | Very low | 67 Ų | 67 | 97.5 Ų | 97.5 | 35% | 0.351 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -81.3 | -17.2 | 173.8 | -64.7 | 171 | 0 | 0 | 0 | 112.7 | S283 S284 V1081 D1082 N1083 | S283-L1085 WeakPolarHBondContact CB-O 3.43Å; S284-L1085 WeakPolarHBondContact CB-O 3.44Å; S284-L1085 WeakPolarHBondContact OG-CA 3.19Å; S284-L1085 PolarHBondContact OG-O 3.13Å; V1081-L1085 WeakPolarHBondContact O-CG 3.46Å; V1081-L1085 PolarHBondContact O-N 3Å; D1082-L1085 PolarHBondContact O-N 3.07Å; N1083-L1085 PolarHBondContact O-N 3.05Å |
| 1086 | R | 37 | Very low | 32.4 | Very low | 140 Ų | 140 | 99.1 Ų | 99.1 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -94.7 | -31 | -175.6 | -128.7 | 170.1 | 163.5 | -177.5 | -6.3 | 114.5 | D1082 N1083 G1088 | D1082-R1086 WeakPolarHBondContact O-CB 3.49Å; D1082-R1086 PolarHBondContact O-N 3.34Å; D1082-R1086 VanDerWaalsContact O-N 3.11Å; N1083-R1086 PolarHBondContact O-N 3.17Å; R1086-G1088 VanDerWaalsContact C-N 3.34Å; R1086-G1088 PolarHBondContact O-N 2.9Å; R1086-G1088 VanDerWaalsContact O-N 3.15Å |
| 1087 | N | 32.2 | Very low | 32.6 | Very low | 145 Ų | 145 | 102.3 Ų | 102.3 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.3 | 45.7 | -170 | -76.7 | -18 | 0 | 0 | 0 | 115.3 | N1083 | N1083-N1087 PolarHBondContact O-N 2.98Å; N1083-N1087 VanDerWaalsContact O-N 3.13Å |
| 1088 | G | 30.4 | Very low | 32.4 | Very low | 22 Ų | 22 | 100.5 Ų | 100.5 | 23% | 0.227 | 65% | 0.647 | C | S | . | * | trans | -143.9 | 86.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A282 S283 R1086 | A282-G1088 CarbonylContact C-O 3.6Å; A282-G1088 WeakPolarHBondContact CA-O 3.36Å; A282-G1088 WeakPolarHBondContact CB-O 3.41Å; S283-G1088 WeakPolarHBondContact CB-O 3.42Å; S283-G1088 PolarHBondContact N-O 2.8Å; R1086-G1088 VanDerWaalsContact C-N 3.34Å; R1086-G1088 PolarHBondContact O-N 2.9Å; R1086-G1088 VanDerWaalsContact O-N 3.15Å | ||
| 1089 | S | 32.5 | Very low | 33 | Very low | 75 Ų | 75 | 97.2 Ų | 97.2 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | trans | 162 | 87.8 | 151.5 | 40.3 | 0 | 0 | 0 | 0 | 110.4 | A282 G1091 | A282-S1089 WeakPolarHBondContact O-CB 3.27Å; A282-S1089 PolarHBondContact O-OG 3.22Å; S1089-G1091 PolarHBondContact O-N 2.92Å | ||
| 1090 | N | 28.1 | Very low | 33.5 | Very low | 187 Ų | 187 | 95.9 Ų | 95.9 | 100% | 1 | 62% | 0.623 | S | S | * | * | trans | -73.7 | 104.5 | 166 | -82.1 | -23.2 | 0 | 0 | 0 | 109 | ||||
| 1091 | G | 29.6 | Very low | 34.4 | Very low | 68 Ų | 68 | 98.5 Ų | 98.5 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | trans | -169.5 | 64.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1089 | S1089-G1091 PolarHBondContact O-N 2.92Š| ||
| 1092 | S | 27.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 98.9 Ų | 98.9 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | trans | 41.2 | 95.7 | 162.8 | -66.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1093 | P | 30.4 | Very low | 38.1 | Very low | 131 Ų | 131 | 101.6 Ų | 101.6 | 85% | 0.851 | 64% | 0.644 | S | S | * | * | trans | -82.4 | 116 | 158.4 | 32.4 | -28.9 | 0 | 0 | 0 | 110.7 | G1095 | P1093-G1095 PolarHBondContact O-N 3.49Š| ||
| 1094 | G | 26 | Very low | 40.4 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | trans | -81.8 | 108.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1095 | G | 25.1 | Very low | 42.7 | Very low | 81 Ų | 81 | 101.2 Ų | 101.2 | 84% | 0.835 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 65.3 | 78.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | P1093 | P1093-G1095 PolarHBondContact O-N 3.49Š|
| 1096 | A | 30.5 | Very low | 44.8 | Very low | 105 Ų | 105 | 98.1 Ų | 98.1 | 87% | 0.868 | 63% | 0.626 | S | S | * | * | trans | -150.1 | 137.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1097 | A | 32.8 | Very low | 47.3 | Very low | 100 Ų | 100 | 94.6 Ų | 94.6 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -71 | 134.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1098 | C | 30.8 | Very low | 49.9 | Very low | 116 Ų | 116 | 93.1 Ų | 93.1 | 78% | 0.784 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125 | 159.4 | 47 | 0 | 0 | 0 | 0 | 109.4 | S1100 | C1098-S1100 PolarHBondContact O-N 3.4Š|
| 1099 | V | 48.8 | Very low | 52.6 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 26% | 0.255 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 124.3 | 166.6 | -174.8 | 0 | 0 | 0 | 0 | 107.1 | Q1106 | V1099-Q1106 HydrophobicContact CG1-CG 4.01Š|
| 1100 | S | 47.1 | Very low | 55.3 | Low | 43 Ų | 43 | 89.8 Ų | 89.8 | 30% | 0.301 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -70 | 166.5 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | C1098 D1102 Q1106 | C1098-S1100 PolarHBondContact O-N 3.4Å; S1100-D1102 WeakPolarHBondContact CB-OD2 3.32Å; S1100-D1102 PolarHBondContact O-N 3.04Å; S1100-D1102 VanDerWaalsContact O-N 3.08Å; S1100-D1102 PolarHBondContact OG-OD2 3.11Å; S1100-Q1106 PolarHBondContact O-NE2 2.88Å |
| 1101 | N | 53.8 | Low | 58.3 | Low | 147 Ų | 147 | 84.1 Ų | 84.1 | 79% | 0.786 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -74.2 | 15 | 173.5 | -70.6 | -9.8 | 0 | 0 | 0 | 112.7 | E1103 | N1101-E1103 PolarHBondContact O-N 3.32Š|
| 1102 | D | 72.5 | Confident | 61.2 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | trans | -85.1 | 111.6 | -178.7 | -54.2 | -53.3 | 0 | 0 | 0 | 109.2 | S1100 E1104 H1105 Q1106 | S1100-D1102 WeakPolarHBondContact CB-OD2 3.32Å; S1100-D1102 PolarHBondContact O-N 3.04Å; S1100-D1102 VanDerWaalsContact O-N 3.08Å; S1100-D1102 PolarHBondContact OG-OD2 3.11Å; D1102-E1104 PolarHBondContact O-N 2.84Å; D1102-H1105 HydrophobicContact CB-CB 4.21Å; D1102-H1105 PolarHBondContact O-N 3.09Å; D1102-Q1106 PolarHBondContact O-N 2.92Å | ||
| 1103 | E | 79.1 | Confident | 64.2 | Low | 115 Ų | 115 | 79.9 Ų | 79.9 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -35.2 | -178.6 | -63.9 | -173 | 142.2 | 0 | 0 | 112 | N1101 H1105 Q1106 E1107 T1144 L1145 | N1101-E1103 PolarHBondContact O-N 3.32Å; E1103-H1105 VanDerWaalsContact C-N 3.31Å; E1103-H1105 PolarHBondContact O-N 3.24Å; E1103-Q1106 PolarHBondContact O-N 3.4Å; E1103-Q1106 VanDerWaalsContact O-N 3.17Å; E1103-E1107 WeakPolarHBondContact O-CB 3.49Å; E1103-E1107 PolarHBondContact O-N 2.94Å; E1103-T1144 PolarHBondContact OE1-OG1 2.9Å; E1103-L1145 HydrophobicContact CB-CD2 4.38Å; E1103-L1145 HydrophobicContact CG-CD2 4.45Å |
| 1104 | E | 81.3 | Confident | 67 | Low | 176 Ų | 176 | 74.8 Ų | 74.8 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.1 | -39.3 | 173.5 | -64.4 | -174.3 | 166.8 | 0 | 0 | 112.8 | D1102 E1107 E1108 | D1102-E1104 PolarHBondContact O-N 2.84Å; E1104-E1107 PolarHBondContact O-N 2.88Å; E1104-E1108 PolarHBondContact O-N 2.88Å |
| 1105 | H | 81.1 | Confident | 70 | Confident | 66 Ų | 66 | 73 Ų | 73 | 31% | 0.306 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.1 | -32 | 177.6 | -174.4 | 51.7 | 0 | 0 | 0 | 111.8 | D1102 E1103 E1107 E1108 V1109 | D1102-H1105 HydrophobicContact CB-CB 4.21Å; D1102-H1105 PolarHBondContact O-N 3.09Å; E1103-H1105 VanDerWaalsContact C-N 3.31Å; E1103-H1105 PolarHBondContact O-N 3.24Å; H1105-E1107 VanDerWaalsContact C-N 3.33Å; H1105-E1108 IonicContact CE1-OE2 2.72Å; H1105-E1108 IonicContact ND1-OE2 2.72Å; H1105-E1108 PolarHBondContact ND1-OE2 3.36Å; H1105-V1109 WeakPolarHBondContact O-CB 3.38Å; H1105-V1109 VanDerWaalsContact O-CG2 3.31Å; H1105-V1109 WeakPolarHBondContact O-CG2 3.48Å; H1105-V1109 PolarHBondContact O-N 2.93Å |
| 1106 | Q | 84 | Confident | 73 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 1% | 0.014 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 171.4 | -61.2 | -163 | 8.4 | 0 | 0 | 111.6 | V1099 S1100 D1102 E1103 V1109 I1110 S1142 F1143 T1144 L1145 | V1099-Q1106 HydrophobicContact CG1-CG 4.01Å; S1100-Q1106 PolarHBondContact O-NE2 2.88Å; D1102-Q1106 PolarHBondContact O-N 2.92Å; E1103-Q1106 PolarHBondContact O-N 3.4Å; E1103-Q1106 VanDerWaalsContact O-N 3.17Å; Q1106-V1109 PolarHBondContact O-N 3.05Å; Q1106-I1110 WeakPolarHBondContact O-CB 3.25Å; Q1106-I1110 WeakPolarHBondContact O-CG2 3.47Å; Q1106-I1110 PolarHBondContact O-N 3.28Å; Q1106-S1142 PolarHBondContact NE2-O 2.8Å; Q1106-F1143 HydrophobicContact CB-CD2 4.13Å; Q1106-F1143 HydrophobicContact CB-CE2 3.98Å; Q1106-F1143 HydrophobicContact CG-CD2 4.48Å; Q1106-F1143 VanDerWaalsContact OE1-CA 3.3Å; Q1106-T1144 PolarHBondContact OE1-OG1 2.82Å; Q1106-L1145 HydrophobicContact CB-CD1 3.85Å; Q1106-L1145 HydrophobicContact CB-CG 4.42Å |
| 1107 | E | 88.8 | Confident | 75.7 | Confident | 66 Ų | 66 | 66 Ų | 66 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 175.4 | -172.1 | 61.6 | -161.2 | 0 | 0 | 112 | E1103 E1104 H1105 I1110 T1111 L1145 H1149 | E1103-E1107 WeakPolarHBondContact O-CB 3.49Å; E1103-E1107 PolarHBondContact O-N 2.94Å; E1104-E1107 PolarHBondContact O-N 2.88Å; H1105-E1107 VanDerWaalsContact C-N 3.33Å; E1107-I1110 WeakPolarHBondContact O-CG2 3.4Å; E1107-T1111 WeakPolarHBondContact O-CB 3.04Å; E1107-T1111 PolarHBondContact O-N 3.17Å; E1107-T1111 PolarHBondContact O-OG1 3.11Å; E1107-L1145 HydrophobicContact CB-CD1 4.02Å; E1107-L1145 WeakPolarHBondContact OE2-CD1 3.28Å; E1107-H1149 VanDerWaalsContact CD-NE2 3.33Å; E1107-H1149 IonicContact OE1-CE1 2.77Å; E1107-H1149 PolarHBondContact OE1-CE1 3.15Å; E1107-H1149 IonicContact OE1-NE2 2.8Å; E1107-H1149 PolarHBondContact OE1-NE2 3.17Å; E1107-H1149 IonicContact OE2-CD2 2.97Å; E1107-H1149 IonicContact OE2-CE1 3.8Å; E1107-H1149 IonicContact OE2-NE2 3.83Å; E1107-H1149 PolarHBondContact OE2-NE2 3.29Å |
| 1108 | E | 87.9 | Confident | 78.2 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -52.9 | 172.3 | -177.2 | -174.9 | -146.8 | 0 | 0 | 110.9 | E1104 H1105 I1110 T1111 D1112 | E1104-E1108 PolarHBondContact O-N 2.88Å; H1105-E1108 IonicContact CE1-OE2 2.72Å; H1105-E1108 IonicContact ND1-OE2 2.72Å; H1105-E1108 PolarHBondContact ND1-OE2 3.36Å; E1108-I1110 PolarHBondContact O-N 2.96Å; E1108-T1111 PolarHBondContact O-N 3.33Å; E1108-D1112 WeakPolarHBondContact O-CB 3.45Å; E1108-D1112 PolarHBondContact O-N 3.29Å |
| 1109 | V | 87.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | -177.6 | 170.5 | 0 | 0 | 0 | 0 | 112.4 | H1105 Q1106 I1113 I1137 | H1105-V1109 WeakPolarHBondContact O-CB 3.38Å; H1105-V1109 VanDerWaalsContact O-CG2 3.31Å; H1105-V1109 WeakPolarHBondContact O-CG2 3.48Å; H1105-V1109 PolarHBondContact O-N 2.93Å; Q1106-V1109 PolarHBondContact O-N 3.05Å; V1109-I1113 HydrophobicContact CG1-CD1 3.96Å; V1109-I1113 WeakPolarHBondContact O-CD1 3.45Å; V1109-I1113 VanDerWaalsContact O-CG1 3.22Å; V1109-I1113 WeakPolarHBondContact O-CG1 3.47Å; V1109-I1113 PolarHBondContact O-N 3.49Å; V1109-I1113 VanDerWaalsContact O-N 3.14Å; V1109-I1137 HydrophobicContact CG1-CD1 3.92Å |
| 1110 | I | 89.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.1 | -38 | 178 | -163.2 | 63.2 | 0 | 0 | 0 | 111.6 | Q1106 E1107 E1108 D1112 I1113 L1114 L1134 F1143 H1149 V1153 | Q1106-I1110 WeakPolarHBondContact O-CB 3.25Å; Q1106-I1110 WeakPolarHBondContact O-CG2 3.47Å; Q1106-I1110 PolarHBondContact O-N 3.28Å; E1107-I1110 WeakPolarHBondContact O-CG2 3.4Å; E1108-I1110 PolarHBondContact O-N 2.96Å; I1110-D1112 PolarHBondContact O-N 3.45Å; I1110-I1113 PolarHBondContact O-N 2.95Å; I1110-L1114 HydrophobicContact CG1-CD1 4.07Å; I1110-L1114 HydrophobicContact CG1-CG 4.33Å; I1110-L1114 WeakPolarHBondContact O-CB 3.37Å; I1110-L1114 VanDerWaalsContact O-CG 3.23Å; I1110-L1114 WeakPolarHBondContact O-CG 3.41Å; I1110-L1114 PolarHBondContact O-N 3.27Å; I1110-L1134 HydrophobicContact CD1-CD1 4.09Å; I1110-F1143 HydrophobicContact CB-CE2 3.96Å; I1110-F1143 HydrophobicContact CB-CZ 3.78Å; I1110-F1143 HydrophobicContact CD1-CZ 4.11Å; I1110-F1143 HydrophobicContact CG1-CE2 4.4Å; I1110-F1143 HydrophobicContact CG1-CZ 3.8Å; I1110-F1143 HydrophobicContact CG2-CE2 4.39Å; I1110-F1143 HydrophobicContact CG2-CZ 4.08Å; I1110-H1149 HydrophobicContact CG1-CB 4Å; I1110-V1153 HydrophobicContact CD1-CG2 3.9Å; I1110-V1153 HydrophobicContact CG1-CG2 4.45Å |
| 1111 | T | 90.8 | Very high | 81.9 | Confident | 68 Ų | 68 | 68 Ų | 68 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | E1107 E1108 I1113 L1114 A1115 | E1107-T1111 WeakPolarHBondContact O-CB 3.04Å; E1107-T1111 PolarHBondContact O-N 3.17Å; E1107-T1111 PolarHBondContact O-OG1 3.11Å; E1108-T1111 PolarHBondContact O-N 3.33Å; T1111-I1113 PolarHBondContact O-N 3.02Å; T1111-L1114 PolarHBondContact O-N 2.97Å; T1111-A1115 VanDerWaalsContact O-CB 3.28Å; T1111-A1115 WeakPolarHBondContact O-CB 3.21Å; T1111-A1115 PolarHBondContact O-N 3.3Å |
| 1112 | D | 90 | Very high | 82.4 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.2 | -93.8 | 4.2 | 0 | 0 | 0 | 112.4 | E1108 I1110 E1116 | E1108-D1112 WeakPolarHBondContact O-CB 3.45Å; E1108-D1112 PolarHBondContact O-N 3.29Å; I1110-D1112 PolarHBondContact O-N 3.45Å; D1112-E1116 WeakPolarHBondContact O-CB 3.47Å; D1112-E1116 PolarHBondContact O-N 3.27Å |
| 1113 | I | 90 | Very high | 82.7 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.5 | -73.2 | 167 | 0 | 0 | 0 | 110.5 | V1109 I1110 T1111 E1116 L1117 A1130 K1133 L1134 I1137 | V1109-I1113 HydrophobicContact CG1-CD1 3.96Å; V1109-I1113 WeakPolarHBondContact O-CD1 3.45Å; V1109-I1113 VanDerWaalsContact O-CG1 3.22Å; V1109-I1113 WeakPolarHBondContact O-CG1 3.47Å; V1109-I1113 PolarHBondContact O-N 3.49Å; V1109-I1113 VanDerWaalsContact O-N 3.14Å; I1110-I1113 PolarHBondContact O-N 2.95Å; T1111-I1113 PolarHBondContact O-N 3.02Å; I1113-E1116 PolarHBondContact O-N 3.45Å; I1113-L1117 HydrophobicContact CG2-CD1 3.8Å; I1113-L1117 HydrophobicContact CG2-CG 4.39Å; I1113-L1117 WeakPolarHBondContact O-CB 3.38Å; I1113-L1117 WeakPolarHBondContact O-CG 3.49Å; I1113-L1117 PolarHBondContact O-N 3.27Å; I1113-A1130 HydrophobicContact CG2-CB 4.42Å; I1113-K1133 HydrophobicContact CD1-CB 3.74Å; I1113-K1133 HydrophobicContact CD1-CD 4.39Å; I1113-K1133 HydrophobicContact CG1-CB 4.26Å; I1113-K1133 HydrophobicContact CG1-CD 4.29Å; I1113-L1134 HydrophobicContact CG2-CB 4.17Å; I1113-I1137 HydrophobicContact CD1-CD1 3.54Å |
| 1114 | L | 90.4 | Very high | 82.7 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | -179.2 | -65.7 | 168.5 | 0 | 0 | 0 | 111.2 | I1110 T1111 L1117 S1118 V1153 I1156 | I1110-L1114 HydrophobicContact CG1-CD1 4.07Å; I1110-L1114 HydrophobicContact CG1-CG 4.33Å; I1110-L1114 WeakPolarHBondContact O-CB 3.37Å; I1110-L1114 VanDerWaalsContact O-CG 3.23Å; I1110-L1114 WeakPolarHBondContact O-CG 3.41Å; I1110-L1114 PolarHBondContact O-N 3.27Å; T1111-L1114 PolarHBondContact O-N 2.97Å; L1114-L1117 PolarHBondContact O-N 3.45Å; L1114-S1118 WeakPolarHBondContact O-CB 3.34Å; L1114-S1118 PolarHBondContact O-N 3.2Å; L1114-S1118 PolarHBondContact O-OG 3.23Å; L1114-V1153 HydrophobicContact CD2-CG2 3.91Å; L1114-I1156 HydrophobicContact CB-CD1 4.25Å; L1114-I1156 HydrophobicContact CD2-CD1 3.81Å |
| 1115 | A | 89.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1111 S1118 N1119 | T1111-A1115 VanDerWaalsContact O-CB 3.28Å; T1111-A1115 WeakPolarHBondContact O-CB 3.21Å; T1111-A1115 PolarHBondContact O-N 3.3Å; A1115-S1118 PolarHBondContact O-OG 3.41Å; A1115-N1119 PolarHBondContact O-ND2 2.6Å |
| 1116 | E | 88.1 | Confident | 83.1 | Confident | 34 Ų | 34 | 62.8 Ų | 62.8 | 16% | 0.159 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 175.2 | -171.5 | 60.2 | -123.8 | 0 | 0 | 111.1 | D1112 I1113 S1118 N1119 R1123 E1126 R1127 A1130 | D1112-E1116 WeakPolarHBondContact O-CB 3.47Å; D1112-E1116 PolarHBondContact O-N 3.27Å; I1113-E1116 PolarHBondContact O-N 3.45Å; E1116-S1118 PolarHBondContact O-N 2.91Å; E1116-N1119 WeakPolarHBondContact O-CB 3.24Å; E1116-N1119 PolarHBondContact O-N 2.85Å; E1116-R1123 VanDerWaalsContact CD-CZ 3.48Å; E1116-R1123 IonicContact OE1-CZ 2.72Å; E1116-R1123 IonicContact OE1-NE 2.62Å; E1116-R1123 IonicContact OE1-NH1 2.67Å; E1116-R1123 PolarHBondContact OE1-NH1 3.38Å; E1116-R1123 IonicContact OE1-NH2 2.64Å; E1116-R1123 PolarHBondContact OE1-NH2 3.49Å; E1116-R1123 IonicContact OE2-CZ 3.54Å; E1116-R1123 IonicContact OE2-NH1 3.78Å; E1116-R1123 PolarHBondContact OE2-NH1 3Å; E1116-R1123 IonicContact OE2-NH2 3.53Å; E1116-R1123 PolarHBondContact OE2-NH2 3.13Å; E1116-E1126 HydrophobicContact CG-CB 4.06Å; E1116-E1126 WeakPolarHBondContact OE1-CB 3.25Å; E1116-R1127 HydrophobicContact CG-CG 4.34Å; E1116-R1127 VanDerWaalsContact O-CG 3.29Å; E1116-R1127 WeakPolarHBondContact O-CG 3.46Å; E1116-A1130 HydrophobicContact CB-CB 4.12Å; E1116-A1130 HydrophobicContact CG-CB 4.09Å |
| 1117 | L | 86.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -31.8 | 179.2 | -67.8 | 177.5 | 0 | 0 | 0 | 113.5 | I1113 L1114 N1119 R1127 A1130 M1131 L1134 I1156 | I1113-L1117 HydrophobicContact CG2-CD1 3.8Å; I1113-L1117 HydrophobicContact CG2-CG 4.39Å; I1113-L1117 WeakPolarHBondContact O-CB 3.38Å; I1113-L1117 WeakPolarHBondContact O-CG 3.49Å; I1113-L1117 PolarHBondContact O-N 3.27Å; L1114-L1117 PolarHBondContact O-N 3.45Å; L1117-N1119 PolarHBondContact O-N 3.3Å; L1117-R1127 HydrophobicContact CD2-CB 4.17Å; L1117-R1127 HydrophobicContact CD2-CG 4.44Å; L1117-R1127 WeakPolarHBondContact CD2-O 3.38Å; L1117-R1127 PolarHBondContact O-NE 3.07Å; L1117-R1127 PolarHBondContact O-NH2 3.01Å; L1117-A1130 HydrophobicContact CD2-CB 3.94Å; L1117-A1130 HydrophobicContact CG-CB 4.02Å; L1117-M1131 HydrophobicContact CD2-CG 3.66Å; L1117-L1134 HydrophobicContact CD1-CD2 4.35Å; L1117-I1156 HydrophobicContact CB-CG2 3.45Å; L1117-I1156 VanDerWaalsContact CB-CG2 3.45Å; L1117-I1156 HydrophobicContact CD1-CG2 4.13Å; L1117-I1156 HydrophobicContact CG-CG2 4.42Å |
| 1118 | S | 85.4 | Confident | 83.3 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.5 | 174.9 | 67.1 | 0 | 0 | 0 | 0 | 114 | L1114 A1115 E1116 H1120 | L1114-S1118 WeakPolarHBondContact O-CB 3.34Å; L1114-S1118 PolarHBondContact O-N 3.2Å; L1114-S1118 PolarHBondContact O-OG 3.23Å; A1115-S1118 PolarHBondContact O-OG 3.41Å; E1116-S1118 PolarHBondContact O-N 2.91Å; S1118-H1120 PolarHBondContact O-CD2 3.47Å; S1118-H1120 PolarHBondContact O-N 3.48Å; S1118-H1120 VanDerWaalsContact O-N 3.08Å |
| 1119 | N | 78.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | trans | -77.6 | 91 | 176.6 | -89.1 | -69.1 | 0 | 0 | 0 | 111.4 | A1115 E1116 L1117 N1121 R1127 | A1115-N1119 PolarHBondContact O-ND2 2.6Å; E1116-N1119 WeakPolarHBondContact O-CB 3.24Å; E1116-N1119 PolarHBondContact O-N 2.85Å; L1117-N1119 PolarHBondContact O-N 3.3Å; N1119-N1121 PolarHBondContact O-N 3.06Å; N1119-R1127 WeakPolarHBondContact O-CD 3.27Å | ||
| 1120 | H | 67.8 | Low | 83.5 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | trans | -67.6 | 12.2 | 175 | -57.1 | -64.7 | 0 | 0 | 0 | 115.4 | S1118 | S1118-H1120 PolarHBondContact O-CD2 3.47Å; S1118-H1120 PolarHBondContact O-N 3.48Å; S1118-H1120 VanDerWaalsContact O-N 3.08Å | ||
| 1121 | N | 58.3 | Low | 83.6 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -81.3 | 173.8 | 175.1 | -70.6 | -40.6 | 0 | 0 | 0 | 111.3 | N1119 R1123 | N1119-N1121 PolarHBondContact O-N 3.06Å; N1121-R1123 PolarHBondContact O-N 3.12Å |
| 1122 | Q | 63.4 | Low | 83.5 | Confident | 202 Ų | 202 | 59.8 Ų | 59.8 | 94% | 0.944 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.9 | 28.8 | -168.8 | -63.8 | 173.1 | -12.5 | 0 | 0 | 115.9 | S1124 | Q1122-S1124 PolarHBondContact O-N 3.46Š|
| 1123 | R | 78.8 | Confident | 83.5 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | trans | -95.2 | 50 | -175.8 | -60.7 | -174.9 | 70.7 | -143.5 | -13 | 111.9 | E1116 N1121 L1125 E1126 R1127 | E1116-R1123 VanDerWaalsContact CD-CZ 3.48Å; E1116-R1123 IonicContact OE1-CZ 2.72Å; E1116-R1123 IonicContact OE1-NE 2.62Å; E1116-R1123 IonicContact OE1-NH1 2.67Å; E1116-R1123 PolarHBondContact OE1-NH1 3.38Å; E1116-R1123 IonicContact OE1-NH2 2.64Å; E1116-R1123 PolarHBondContact OE1-NH2 3.49Å; E1116-R1123 IonicContact OE2-CZ 3.54Å; E1116-R1123 IonicContact OE2-NH1 3.78Å; E1116-R1123 PolarHBondContact OE2-NH1 3Å; E1116-R1123 IonicContact OE2-NH2 3.53Å; E1116-R1123 PolarHBondContact OE2-NH2 3.13Å; N1121-R1123 PolarHBondContact O-N 3.12Å; R1123-L1125 VanDerWaalsContact C-N 3.26Å; R1123-L1125 PolarHBondContact O-N 3Å; R1123-E1126 WeakPolarHBondContact CA-OE2 3.33Å; R1123-E1126 HydrophobicContact CB-CB 4.45Å; R1123-E1126 IonicContact CZ-OE1 3.08Å; R1123-E1126 IonicContact NE-OE1 4Å; R1123-E1126 PolarHBondContact NE-OE1 3.27Å; R1123-E1126 IonicContact NH2-OE1 3.06Å; R1123-E1126 PolarHBondContact NH2-OE1 3.21Å; R1123-E1126 VanDerWaalsContact NH2-OE1 3.13Å; R1123-E1126 PolarHBondContact O-N 2.97Å; R1123-R1127 WeakPolarHBondContact O-CG 3.49Å; R1123-R1127 PolarHBondContact O-N 3.13Å | ||
| 1124 | S | 79.3 | Confident | 83.5 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.1 | -21.9 | -172.6 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | Q1122 K1128 D1165 | Q1122-S1124 PolarHBondContact O-N 3.46Å; S1124-K1128 WeakPolarHBondContact O-CB 3.45Å; S1124-K1128 WeakPolarHBondContact O-CD 3.45Å; S1124-K1128 WeakPolarHBondContact O-CG 3.46Å; S1124-K1128 PolarHBondContact O-N 3.03Å; S1124-D1165 WeakPolarHBondContact CB-OD2 3.42Å; S1124-D1165 PolarHBondContact OG-OD2 3.31Å |
| 1125 | L | 84.2 | Confident | 83.5 | Confident | 109 Ų | 109 | 62.6 Ų | 62.6 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.9 | -48.7 | 172.4 | -179.1 | 63.7 | 0 | 0 | 0 | 111.1 | R1123 K1128 Q1129 | R1123-L1125 VanDerWaalsContact C-N 3.26Å; R1123-L1125 PolarHBondContact O-N 3Å; L1125-K1128 WeakPolarHBondContact O-CB 3.35Å; L1125-K1128 PolarHBondContact O-N 3.47Å; L1125-Q1129 WeakPolarHBondContact O-CG 3.49Å; L1125-Q1129 PolarHBondContact O-N 3.08Å |
| 1126 | E | 86.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | -178.6 | -56.2 | 100.7 | 113.9 | 0 | 0 | 111.4 | E1116 R1123 K1128 Q1129 A1130 | E1116-E1126 HydrophobicContact CG-CB 4.06Å; E1116-E1126 WeakPolarHBondContact OE1-CB 3.25Å; R1123-E1126 WeakPolarHBondContact CA-OE2 3.33Å; R1123-E1126 HydrophobicContact CB-CB 4.45Å; R1123-E1126 IonicContact CZ-OE1 3.08Å; R1123-E1126 IonicContact NE-OE1 4Å; R1123-E1126 PolarHBondContact NE-OE1 3.27Å; R1123-E1126 IonicContact NH2-OE1 3.06Å; R1123-E1126 PolarHBondContact NH2-OE1 3.21Å; R1123-E1126 VanDerWaalsContact NH2-OE1 3.13Å; R1123-E1126 PolarHBondContact O-N 2.97Å; E1126-K1128 PolarHBondContact O-N 2.9Å; E1126-Q1129 CarbonylContact O-C 3.58Å; E1126-Q1129 WeakPolarHBondContact O-CA 3.43Å; E1126-Q1129 WeakPolarHBondContact O-CB 3.49Å; E1126-Q1129 PolarHBondContact O-N 2.69Å; E1126-Q1129 VanDerWaalsContact O-N 3.1Å; E1126-A1130 PolarHBondContact O-N 3.33Å |
| 1127 | R | 88.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 173.1 | -70.5 | 174 | 70.8 | -146.6 | -2.6 | 112.8 | E1116 L1117 N1119 R1123 M1131 D1163 | E1116-R1127 HydrophobicContact CG-CG 4.34Å; E1116-R1127 VanDerWaalsContact O-CG 3.29Å; E1116-R1127 WeakPolarHBondContact O-CG 3.46Å; L1117-R1127 HydrophobicContact CD2-CB 4.17Å; L1117-R1127 HydrophobicContact CD2-CG 4.44Å; L1117-R1127 WeakPolarHBondContact CD2-O 3.38Å; L1117-R1127 PolarHBondContact O-NE 3.07Å; L1117-R1127 PolarHBondContact O-NH2 3.01Å; N1119-R1127 WeakPolarHBondContact O-CD 3.27Å; R1123-R1127 WeakPolarHBondContact O-CG 3.49Å; R1123-R1127 PolarHBondContact O-N 3.13Å; R1127-M1131 WeakPolarHBondContact O-CB 3.49Å; R1127-M1131 WeakPolarHBondContact O-CG 3.25Å; R1127-M1131 PolarHBondContact O-N 3.42Å; R1127-D1163 IonicContact CZ-OD2 3.8Å; R1127-D1163 IonicContact NH1-OD1 3.14Å; R1127-D1163 IonicContact NH1-OD2 3.49Å; R1127-D1163 PolarHBondContact NH1-OD2 3.27Å; R1127-D1163 IonicContact NH2-OD2 2.72Å; R1127-D1163 PolarHBondContact NH2-OD2 3.49Å |
| 1128 | K | 87.9 | Confident | 83.4 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 19% | 0.191 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 168.9 | -74.4 | 166.9 | -173 | 167.9 | 0 | 112.2 | S1124 L1125 E1126 M1131 S1132 E1167 Y1171 | S1124-K1128 WeakPolarHBondContact O-CB 3.45Å; S1124-K1128 WeakPolarHBondContact O-CD 3.45Å; S1124-K1128 WeakPolarHBondContact O-CG 3.46Å; S1124-K1128 PolarHBondContact O-N 3.03Å; L1125-K1128 WeakPolarHBondContact O-CB 3.35Å; L1125-K1128 PolarHBondContact O-N 3.47Å; E1126-K1128 PolarHBondContact O-N 2.9Å; K1128-M1131 HydrophobicContact CG-CE 4.24Å; K1128-S1132 VanDerWaalsContact O-CB 3.31Å; K1128-S1132 WeakPolarHBondContact O-CB 3.49Å; K1128-S1132 PolarHBondContact O-N 3.17Å; K1128-E1167 IonicContact NZ-OE2 2.97Å; K1128-E1167 PolarHBondContact NZ-OE2 3.39Å; K1128-Y1171 HydrophobicContact CG-CG 4.44Å |
| 1129 | Q | 88.7 | Confident | 83.3 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.6 | -69.5 | 173.7 | -0.5 | 0 | 0 | 111.5 | L1125 E1126 S1132 K1133 | L1125-Q1129 WeakPolarHBondContact O-CG 3.49Å; L1125-Q1129 PolarHBondContact O-N 3.08Å; E1126-Q1129 CarbonylContact O-C 3.58Å; E1126-Q1129 WeakPolarHBondContact O-CA 3.43Å; E1126-Q1129 WeakPolarHBondContact O-CB 3.49Å; E1126-Q1129 PolarHBondContact O-N 2.69Å; E1126-Q1129 VanDerWaalsContact O-N 3.1Å; Q1129-S1132 WeakPolarHBondContact O-CB 3.41Å; Q1129-S1132 PolarHBondContact O-N 3.39Å; Q1129-S1132 VanDerWaalsContact O-N 3.09Å; Q1129-K1133 PolarHBondContact O-N 3.31Å |
| 1130 | A | 90.7 | Very high | 83.4 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 5% | 0.05 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1113 E1116 L1117 E1126 S1132 K1133 L1134 | I1113-A1130 HydrophobicContact CG2-CB 4.42Å; E1116-A1130 HydrophobicContact CB-CB 4.12Å; E1116-A1130 HydrophobicContact CG-CB 4.09Å; L1117-A1130 HydrophobicContact CD2-CB 3.94Å; L1117-A1130 HydrophobicContact CG-CB 4.02Å; E1126-A1130 PolarHBondContact O-N 3.33Å; A1130-S1132 VanDerWaalsContact C-N 3.28Å; A1130-S1132 PolarHBondContact O-N 2.87Å; A1130-K1133 PolarHBondContact O-N 2.93Å; A1130-L1134 WeakPolarHBondContact O-CB 3.13Å; A1130-L1134 PolarHBondContact O-N 3.03Å |
| 1131 | M | 91.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 171.3 | -81.5 | -168.7 | -75.2 | 0 | 0 | 113.1 | L1117 R1127 K1128 K1135 L1157 T1160 V1168 Y1171 A1172 V1175 | L1117-M1131 HydrophobicContact CD2-CG 3.66Å; R1127-M1131 WeakPolarHBondContact O-CB 3.49Å; R1127-M1131 WeakPolarHBondContact O-CG 3.25Å; R1127-M1131 PolarHBondContact O-N 3.42Å; K1128-M1131 HydrophobicContact CG-CE 4.24Å; M1131-K1135 WeakPolarHBondContact O-CB 3.37Å; M1131-K1135 PolarHBondContact O-N 3.44Å; M1131-L1157 HydrophobicContact CG-CD2 4.47Å; M1131-T1160 HydrophobicContact SD-CG2 4.37Å; M1131-V1168 HydrophobicContact CE-CG1 3.9Å; M1131-Y1171 HydrophobicContact CB-CD1 3.66Å; M1131-Y1171 HydrophobicContact CB-CE1 3.81Å; M1131-Y1171 HydrophobicContact CE-CD1 3.95Å; M1131-Y1171 HydrophobicContact CE-CG 4.41Å; M1131-Y1171 HydrophobicContact CG-CD1 4.45Å; M1131-Y1171 HydrophobicContact SD-CD1 4.03Å; M1131-A1172 VanDerWaalsContact SD-CA 3.52Å; M1131-A1172 HydrophobicContact SD-CB 3.75Å; M1131-V1175 HydrophobicContact CB-CG2 4Å; M1131-V1175 HydrophobicContact CG-CG2 4.42Å |
| 1132 | S | 89.5 | Confident | 84.4 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 177.7 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | K1128 Q1129 A1130 K1135 L1136 Y1171 | K1128-S1132 VanDerWaalsContact O-CB 3.31Å; K1128-S1132 WeakPolarHBondContact O-CB 3.49Å; K1128-S1132 PolarHBondContact O-N 3.17Å; Q1129-S1132 WeakPolarHBondContact O-CB 3.41Å; Q1129-S1132 PolarHBondContact O-N 3.39Å; Q1129-S1132 VanDerWaalsContact O-N 3.09Å; A1130-S1132 VanDerWaalsContact C-N 3.28Å; A1130-S1132 PolarHBondContact O-N 2.87Å; S1132-K1135 PolarHBondContact O-N 3.07Å; S1132-L1136 PolarHBondContact O-N 2.8Å; S1132-L1136 VanDerWaalsContact O-N 3.07Å; S1132-Y1171 PolarHBondContact OG-OH 3.21Å |
| 1133 | K | 89.7 | Confident | 85.3 | Confident | 111 Ų | 111 | 53 Ų | 53 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -51 | 169.7 | -70.1 | -179.5 | 177.6 | -175.5 | 0 | 110 | I1113 Q1129 A1130 K1135 L1136 I1137 | I1113-K1133 HydrophobicContact CD1-CB 3.74Å; I1113-K1133 HydrophobicContact CD1-CD 4.39Å; I1113-K1133 HydrophobicContact CG1-CB 4.26Å; I1113-K1133 HydrophobicContact CG1-CD 4.29Å; Q1129-K1133 PolarHBondContact O-N 3.31Å; A1130-K1133 PolarHBondContact O-N 2.93Å; K1133-K1135 VanDerWaalsContact C-N 3.31Å; K1133-K1135 PolarHBondContact O-N 3.26Å; K1133-L1136 WeakPolarHBondContact O-CA 3.48Å; K1133-L1136 WeakPolarHBondContact O-CB 3.38Å; K1133-L1136 PolarHBondContact O-N 3.19Å; K1133-I1137 VanDerWaalsContact O-CG1 3.29Å; K1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; K1133-I1137 PolarHBondContact O-N 3.29Å |
| 1134 | L | 90.9 | Very high | 85.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 179 | -176.9 | 63 | 0 | 0 | 0 | 113 | I1110 I1113 L1117 A1130 S1138 V1153 L1157 V1175 I1179 | I1110-L1134 HydrophobicContact CD1-CD1 4.09Å; I1113-L1134 HydrophobicContact CG2-CB 4.17Å; L1117-L1134 HydrophobicContact CD1-CD2 4.35Å; A1130-L1134 WeakPolarHBondContact O-CB 3.13Å; A1130-L1134 PolarHBondContact O-N 3.03Å; L1134-S1138 PolarHBondContact O-N 2.92Å; L1134-V1153 HydrophobicContact CD1-CG1 3.99Å; L1134-V1153 HydrophobicContact CD1-CG2 4.29Å; L1134-V1153 HydrophobicContact CD2-CG1 3.81Å; L1134-V1153 HydrophobicContact CG-CG1 4.43Å; L1134-L1157 HydrophobicContact CD2-CD1 4.05Å; L1134-L1157 HydrophobicContact CD2-CD2 4.29Å; L1134-L1157 HydrophobicContact CD2-CG 4.32Å; L1134-V1175 HydrophobicContact CD2-CG1 3.96Å; L1134-V1175 HydrophobicContact CG-CG1 4.18Å; L1134-I1179 HydrophobicContact CD2-CD1 4.13Å; L1134-I1179 HydrophobicContact CG-CD1 4.13Å |
| 1135 | K | 90.3 | Very high | 85.9 | Confident | 69 Ų | 69 | 51.7 Ų | 51.7 | 30% | 0.3 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 174.2 | -167 | 179.6 | -178.9 | -175.7 | 0 | 112.6 | M1131 S1132 K1133 R1139 V1175 E1178 | M1131-K1135 WeakPolarHBondContact O-CB 3.37Å; M1131-K1135 PolarHBondContact O-N 3.44Å; S1132-K1135 PolarHBondContact O-N 3.07Å; K1133-K1135 VanDerWaalsContact C-N 3.31Å; K1133-K1135 PolarHBondContact O-N 3.26Å; K1135-R1139 WeakPolarHBondContact O-CB 3.22Å; K1135-R1139 PolarHBondContact O-N 3.19Å; K1135-R1139 VanDerWaalsContact O-N 3.14Å; K1135-V1175 HydrophobicContact CB-CG1 4.45Å; K1135-V1175 HydrophobicContact CB-CG2 4.26Å; K1135-E1178 HydrophobicContact CG-CB 4.19Å; K1135-E1178 HydrophobicContact CG-CG 4.23Å |
| 1136 | L | 87.6 | Confident | 86.1 | Confident | 77 Ų | 77 | 47 Ų | 47 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -48.5 | 176.6 | -173.5 | 65 | 0 | 0 | 0 | 111 | S1132 K1133 S1138 R1139 E1140 | S1132-L1136 PolarHBondContact O-N 2.8Å; S1132-L1136 VanDerWaalsContact O-N 3.07Å; K1133-L1136 WeakPolarHBondContact O-CA 3.48Å; K1133-L1136 WeakPolarHBondContact O-CB 3.38Å; K1133-L1136 PolarHBondContact O-N 3.19Å; L1136-S1138 VanDerWaalsContact C-N 3.26Å; L1136-S1138 PolarHBondContact O-N 3.14Å; L1136-R1139 WeakPolarHBondContact O-CA 3.21Å; L1136-R1139 PolarHBondContact O-N 3.21Å; L1136-E1140 HydrophobicContact CD1-CG 4.07Å; L1136-E1140 WeakPolarHBondContact CD1-OE1 3.39Å; L1136-E1140 HydrophobicContact CG-CG 4.23Å; L1136-E1140 WeakPolarHBondContact CG-OE1 3.38Å; L1136-E1140 WeakPolarHBondContact O-CG 3.19Å; L1136-E1140 PolarHBondContact O-N 2.91Å |
| 1137 | I | 86.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -50.8 | -46.6 | 173.2 | -69.5 | 170.8 | 0 | 0 | 0 | 110.6 | V1109 I1113 K1133 R1139 F1143 W1146 | V1109-I1137 HydrophobicContact CG1-CD1 3.92Å; I1113-I1137 HydrophobicContact CD1-CD1 3.54Å; K1133-I1137 VanDerWaalsContact O-CG1 3.29Å; K1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; K1133-I1137 PolarHBondContact O-N 3.29Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 2.84Å; I1137-F1143 HydrophobicContact CG2-CB 3.52Å; I1137-F1143 HydrophobicContact CG2-CD1 4.28Å; I1137-F1143 HydrophobicContact CG2-CD2 3.79Å; I1137-F1143 HydrophobicContact CG2-CG 3.61Å; I1137-W1146 HydrophobicContact CG2-CZ2 4.49Å |
| 1138 | S | 85.4 | Confident | 86 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -23.9 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 114.8 | L1134 L1136 I1179 R1182 | L1134-S1138 PolarHBondContact O-N 2.92Å; L1136-S1138 VanDerWaalsContact C-N 3.26Å; L1136-S1138 PolarHBondContact O-N 3.14Å; S1138-I1179 WeakPolarHBondContact OG-CA 3.36Å; S1138-R1182 WeakPolarHBondContact O-CG 3.39Å |
| 1139 | R | 84.2 | Confident | 86.1 | Confident | 151 Ų | 151 | 55.3 Ų | 55.3 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -91.6 | -29.9 | -178.3 | -163.9 | -174.2 | 77.1 | 157.8 | 2.9 | 112.6 | K1135 L1136 I1137 | K1135-R1139 WeakPolarHBondContact O-CB 3.22Å; K1135-R1139 PolarHBondContact O-N 3.19Å; K1135-R1139 VanDerWaalsContact O-N 3.14Å; L1136-R1139 WeakPolarHBondContact O-CA 3.21Å; L1136-R1139 PolarHBondContact O-N 3.21Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 2.84Å |
| 1140 | E | 79.4 | Confident | 86.2 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -79.1 | -29 | -176.8 | -72.1 | -177 | 168.6 | 0 | 0 | 113.1 | L1136 S1142 | L1136-E1140 HydrophobicContact CD1-CG 4.07Å; L1136-E1140 WeakPolarHBondContact CD1-OE1 3.39Å; L1136-E1140 HydrophobicContact CG-CG 4.23Å; L1136-E1140 WeakPolarHBondContact CG-OE1 3.38Å; L1136-E1140 WeakPolarHBondContact O-CG 3.19Å; L1136-E1140 PolarHBondContact O-N 2.91Å; E1140-S1142 VanDerWaalsContact C-N 3.28Å |
| 1141 | G | 73.3 | Confident | 86.1 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | trans | 80.6 | 3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1142 | S | 73.9 | Confident | 86.1 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | trans | -80.3 | -10.3 | -175.3 | 43.4 | 0 | 0 | 0 | 0 | 115.2 | Q1106 E1140 | Q1106-S1142 PolarHBondContact NE2-O 2.8Å; E1140-S1142 VanDerWaalsContact C-N 3.28Å | ||
| 1143 | F | 82.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | trans | -84.3 | 117.5 | -175.3 | -168.8 | -105.3 | 0 | 0 | 0 | 112 | Q1106 I1110 I1137 L1145 W1146 | Q1106-F1143 HydrophobicContact CB-CD2 4.13Å; Q1106-F1143 HydrophobicContact CB-CE2 3.98Å; Q1106-F1143 HydrophobicContact CG-CD2 4.48Å; Q1106-F1143 VanDerWaalsContact OE1-CA 3.3Å; I1110-F1143 HydrophobicContact CB-CE2 3.96Å; I1110-F1143 HydrophobicContact CB-CZ 3.78Å; I1110-F1143 HydrophobicContact CD1-CZ 4.11Å; I1110-F1143 HydrophobicContact CG1-CE2 4.4Å; I1110-F1143 HydrophobicContact CG1-CZ 3.8Å; I1110-F1143 HydrophobicContact CG2-CE2 4.39Å; I1110-F1143 HydrophobicContact CG2-CZ 4.08Å; I1137-F1143 HydrophobicContact CG2-CB 3.52Å; I1137-F1143 HydrophobicContact CG2-CD1 4.28Å; I1137-F1143 HydrophobicContact CG2-CD2 3.79Å; I1137-F1143 HydrophobicContact CG2-CG 3.61Å; F1143-L1145 VanDerWaalsContact CE1-C 3.42Å; F1143-L1145 HydrophobicContact CE1-CB 3.94Å; F1143-L1145 HydrophobicContact CE2-CB 4.32Å; F1143-L1145 HydrophobicContact CZ-CB 3.75Å; F1143-W1146 AromaticContact CD1-CD1 3.7Å; F1143-W1146 AromaticContact CD1-CD2 3.82Å; F1143-W1146 HydrophobicContact CD1-CD2 3.82Å; F1143-W1146 AromaticContact CD1-CE2 3.74Å; F1143-W1146 AromaticContact CD1-CG 3.8Å; F1143-W1146 HydrophobicContact CD1-CG 3.8Å; F1143-W1146 HydrophobicContact CD1-CZ2 4.37Å; F1143-W1146 AromaticContact CD1-NE1 3.65Å; F1143-W1146 HydrophobicContact CE1-CD2 4.25Å; F1143-W1146 HydrophobicContact CE1-CG 4.34Å | ||
| 1144 | T | 83.3 | Confident | 86.4 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | trans | -87.1 | -33.6 | -177.9 | 57 | 0 | 0 | 0 | 0 | 112.4 | E1103 Q1106 W1146 | E1103-T1144 PolarHBondContact OE1-OG1 2.9Å; Q1106-T1144 PolarHBondContact OE1-OG1 2.82Å; T1144-W1146 PolarHBondContact O-N 3.44Å | ||
| 1145 | L | 88 | Confident | 86.4 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 26.9 | -170 | -51 | 175.5 | 0 | 0 | 0 | 115 | E1103 Q1106 E1107 F1143 D1147 E1148 H1149 | E1103-L1145 HydrophobicContact CB-CD2 4.38Å; E1103-L1145 HydrophobicContact CG-CD2 4.45Å; Q1106-L1145 HydrophobicContact CB-CD1 3.85Å; Q1106-L1145 HydrophobicContact CB-CG 4.42Å; E1107-L1145 HydrophobicContact CB-CD1 4.02Å; E1107-L1145 WeakPolarHBondContact OE2-CD1 3.28Å; F1143-L1145 VanDerWaalsContact CE1-C 3.42Å; F1143-L1145 HydrophobicContact CE1-CB 3.94Å; F1143-L1145 HydrophobicContact CE2-CB 4.32Å; F1143-L1145 HydrophobicContact CZ-CB 3.75Å; L1145-D1147 VanDerWaalsContact C-N 3.32Å; L1145-D1147 PolarHBondContact O-N 2.78Å; L1145-E1148 PolarHBondContact O-N 3.18Å; L1145-H1149 PolarHBondContact O-N 3.21Å |
| 1146 | W | 87.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 177.9 | -80.7 | 113.1 | 0 | 0 | 0 | 113 | I1137 F1143 T1144 E1148 F1150 V1153 I1179 Q1183 | I1137-W1146 HydrophobicContact CG2-CZ2 4.49Å; F1143-W1146 AromaticContact CD1-CD1 3.7Å; F1143-W1146 AromaticContact CD1-CD2 3.82Å; F1143-W1146 HydrophobicContact CD1-CD2 3.82Å; F1143-W1146 AromaticContact CD1-CE2 3.74Å; F1143-W1146 AromaticContact CD1-CG 3.8Å; F1143-W1146 HydrophobicContact CD1-CG 3.8Å; F1143-W1146 HydrophobicContact CD1-CZ2 4.37Å; F1143-W1146 AromaticContact CD1-NE1 3.65Å; F1143-W1146 HydrophobicContact CE1-CD2 4.25Å; F1143-W1146 HydrophobicContact CE1-CG 4.34Å; T1144-W1146 PolarHBondContact O-N 3.44Å; W1146-E1148 VanDerWaalsContact C-N 3.28Å; W1146-E1148 PolarHBondContact O-N 3.21Å; W1146-F1150 HydrophobicContact CE3-CB 4.12Å; W1146-F1150 AromaticContact CE3-CD2 3.82Å; W1146-F1150 HydrophobicContact CE3-CD2 3.82Å; W1146-F1150 HydrophobicContact CE3-CG 4.48Å; W1146-F1150 HydrophobicContact CZ3-CD2 4.09Å; W1146-F1150 WeakPolarHBondContact O-CB 3.21Å; W1146-F1150 PolarHBondContact O-N 3.18Å; W1146-V1153 HydrophobicContact CZ3-CG1 4.37Å; W1146-I1179 HydrophobicContact CH2-CD1 4.36Å; W1146-I1179 HydrophobicContact CH2-CG1 4.09Å; W1146-I1179 HydrophobicContact CH2-CG2 4.27Å; W1146-I1179 HydrophobicContact CZ3-CG2 4.24Å; W1146-Q1183 HydrophobicContact CD2-CG 4.38Å |
| 1147 | D | 84.2 | Confident | 86.6 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.7 | -36.6 | 179.1 | -79 | -72 | 0 | 0 | 0 | 112.7 | L1145 R1186 | L1145-D1147 VanDerWaalsContact C-N 3.32Å; L1145-D1147 PolarHBondContact O-N 2.78Å; D1147-R1186 IonicContact OD1-CZ 3.41Å; D1147-R1186 IonicContact OD1-NH1 3.87Å; D1147-R1186 PolarHBondContact OD1-NH1 3.03Å; D1147-R1186 IonicContact OD1-NH2 2.76Å; D1147-R1186 IonicContact OD2-CZ 3.48Å; D1147-R1186 IonicContact OD2-NH1 2.84Å; D1147-R1186 PolarHBondContact OD2-NH1 3.14Å; D1147-R1186 IonicContact OD2-NH2 3.64Å; D1147-R1186 PolarHBondContact OD2-NH2 2.77Å |
| 1148 | E | 89.2 | Confident | 86.8 | Confident | 136 Ų | 136 | 48.3 Ų | 48.3 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -82.3 | -45.8 | -177.4 | -54.2 | -169.8 | 173.9 | 0 | 0 | 111.2 | L1145 W1146 | L1145-E1148 PolarHBondContact O-N 3.18Å; W1146-E1148 VanDerWaalsContact C-N 3.28Å; W1146-E1148 PolarHBondContact O-N 3.21Å |
| 1149 | H | 90.4 | Very high | 87.1 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -98.9 | -14.6 | -169.8 | -67.7 | -74 | 0 | 0 | 0 | 116.2 | E1107 I1110 L1145 K1151 S1152 V1153 | E1107-H1149 VanDerWaalsContact CD-NE2 3.33Å; E1107-H1149 IonicContact OE1-CE1 2.77Å; E1107-H1149 PolarHBondContact OE1-CE1 3.15Å; E1107-H1149 IonicContact OE1-NE2 2.8Å; E1107-H1149 PolarHBondContact OE1-NE2 3.17Å; E1107-H1149 IonicContact OE2-CD2 2.97Å; E1107-H1149 IonicContact OE2-CE1 3.8Å; E1107-H1149 IonicContact OE2-NE2 3.83Å; E1107-H1149 PolarHBondContact OE2-NE2 3.29Å; I1110-H1149 HydrophobicContact CG1-CB 4Å; L1145-H1149 PolarHBondContact O-N 3.21Å; H1149-K1151 VanDerWaalsContact C-N 3.25Å; H1149-K1151 PolarHBondContact O-N 2.66Å; H1149-K1151 VanDerWaalsContact O-N 3.14Å; H1149-S1152 PolarHBondContact O-N 3.46Å; H1149-V1153 HydrophobicContact CB-CG2 4.37Å; H1149-V1153 WeakPolarHBondContact O-CB 3.15Å; H1149-V1153 WeakPolarHBondContact O-CG2 3.47Å; H1149-V1153 PolarHBondContact O-N 3.09Å |
| 1150 | F | 90.6 | Very high | 87.3 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.6 | -39 | -174.5 | 178.4 | -88.5 | 0 | 0 | 0 | 113 | W1146 L1154 I1179 Q1183 R1186 I1187 Y1190 | W1146-F1150 HydrophobicContact CE3-CB 4.12Å; W1146-F1150 AromaticContact CE3-CD2 3.82Å; W1146-F1150 HydrophobicContact CE3-CD2 3.82Å; W1146-F1150 HydrophobicContact CE3-CG 4.48Å; W1146-F1150 HydrophobicContact CZ3-CD2 4.09Å; W1146-F1150 WeakPolarHBondContact O-CB 3.21Å; W1146-F1150 PolarHBondContact O-N 3.18Å; F1150-L1154 HydrophobicContact CE1-CB 4.48Å; F1150-L1154 HydrophobicContact CE1-CD2 3.89Å; F1150-L1154 HydrophobicContact CZ-CD2 4.32Å; F1150-L1154 WeakPolarHBondContact O-CB 3.35Å; F1150-L1154 PolarHBondContact O-N 3.47Å; F1150-I1179 HydrophobicContact CD2-CG2 4.33Å; F1150-I1179 HydrophobicContact CE2-CG2 3.74Å; F1150-Q1183 HydrophobicContact CE2-CB 4.11Å; F1150-R1186 HydrophobicContact CD1-CB 3.84Å; F1150-R1186 HydrophobicContact CD2-CB 3.8Å; F1150-R1186 HydrophobicContact CD2-CG 4.43Å; F1150-R1186 HydrophobicContact CE1-CB 3.67Å; F1150-R1186 WeakPolarHBondContact CE1-O 3.44Å; F1150-R1186 HydrophobicContact CE2-CB 3.63Å; F1150-R1186 HydrophobicContact CG-CB 3.91Å; F1150-R1186 HydrophobicContact CZ-CB 3.57Å; F1150-I1187 HydrophobicContact CZ-CB 4.06Å; F1150-I1187 HydrophobicContact CZ-CD1 4.12Å; F1150-Y1190 HydrophobicContact CD1-CD2 4.45Å; F1150-Y1190 HydrophobicContact CD1-CE2 4.22Å; F1150-Y1190 AromaticContact CE1-CD2 3.91Å; F1150-Y1190 HydrophobicContact CE1-CD2 3.91Å; F1150-Y1190 HydrophobicContact CE1-CE2 4.13Å |
| 1151 | K | 90.2 | Very high | 87.9 | Confident | 126 Ų | 126 | 43.3 Ų | 43.3 | 55% | 0.548 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 176.9 | -177.9 | -176.1 | 174.6 | -170.1 | 0 | 111.4 | H1149 L1154 V1155 Y1190 | H1149-K1151 VanDerWaalsContact C-N 3.25Å; H1149-K1151 PolarHBondContact O-N 2.66Å; H1149-K1151 VanDerWaalsContact O-N 3.14Å; K1151-L1154 PolarHBondContact O-N 3.06Å; K1151-V1155 WeakPolarHBondContact O-CB 3.42Å; K1151-V1155 VanDerWaalsContact O-CG2 3.28Å; K1151-V1155 WeakPolarHBondContact O-CG2 3.23Å; K1151-V1155 PolarHBondContact O-N 2.98Å; K1151-Y1190 HydrophobicContact CG-CE1 4.16Å; K1151-Y1190 WeakPolarHBondContact CG-OH 3.37Å |
| 1152 | S | 92 | Very high | 88.5 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -47.7 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | H1149 L1154 V1155 I1156 | H1149-S1152 PolarHBondContact O-N 3.46Å; S1152-L1154 PolarHBondContact O-N 2.91Å; S1152-V1155 PolarHBondContact O-N 3.12Å; S1152-I1156 WeakPolarHBondContact O-CB 3.43Å; S1152-I1156 WeakPolarHBondContact O-CG1 3.25Å; S1152-I1156 PolarHBondContact O-N 3.3Å |
| 1153 | V | 92.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.8 | -49.7 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | I1110 L1114 L1134 W1146 H1149 L1157 I1179 | I1110-V1153 HydrophobicContact CD1-CG2 3.9Å; I1110-V1153 HydrophobicContact CG1-CG2 4.45Å; L1114-V1153 HydrophobicContact CD2-CG2 3.91Å; L1134-V1153 HydrophobicContact CD1-CG1 3.99Å; L1134-V1153 HydrophobicContact CD1-CG2 4.29Å; L1134-V1153 HydrophobicContact CD2-CG1 3.81Å; L1134-V1153 HydrophobicContact CG-CG1 4.43Å; W1146-V1153 HydrophobicContact CZ3-CG1 4.37Å; H1149-V1153 HydrophobicContact CB-CG2 4.37Å; H1149-V1153 WeakPolarHBondContact O-CB 3.15Å; H1149-V1153 WeakPolarHBondContact O-CG2 3.47Å; H1149-V1153 PolarHBondContact O-N 3.09Å; V1153-L1157 HydrophobicContact CG1-CD1 4.02Å; V1153-L1157 WeakPolarHBondContact O-CB 3.33Å; V1153-L1157 WeakPolarHBondContact O-CG 3.16Å; V1153-L1157 PolarHBondContact O-N 3.37Å; V1153-I1179 HydrophobicContact CG1-CD1 3.94Å |
| 1154 | L | 91.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | -177.7 | 179.9 | 62.7 | 0 | 0 | 0 | 111.8 | F1150 K1151 S1152 L1157 L1158 L1176 I1187 Y1190 | F1150-L1154 HydrophobicContact CE1-CB 4.48Å; F1150-L1154 HydrophobicContact CE1-CD2 3.89Å; F1150-L1154 HydrophobicContact CZ-CD2 4.32Å; F1150-L1154 WeakPolarHBondContact O-CB 3.35Å; F1150-L1154 PolarHBondContact O-N 3.47Å; K1151-L1154 PolarHBondContact O-N 3.06Å; S1152-L1154 PolarHBondContact O-N 2.91Å; L1154-L1157 PolarHBondContact O-N 2.99Å; L1154-L1158 HydrophobicContact CD1-CD1 4.01Å; L1154-L1158 HydrophobicContact CD1-CG 4.08Å; L1154-L1158 HydrophobicContact CG-CD1 3.98Å; L1154-L1158 HydrophobicContact CG-CG 4.4Å; L1154-L1158 WeakPolarHBondContact O-CB 3.47Å; L1154-L1158 VanDerWaalsContact O-CG 3.24Å; L1154-L1158 WeakPolarHBondContact O-CG 3.47Å; L1154-L1158 PolarHBondContact O-N 2.86Å; L1154-L1176 HydrophobicContact CD1-CD1 3.53Å; L1154-I1187 HydrophobicContact CD1-CD1 3.86Å; L1154-I1187 HydrophobicContact CD2-CD1 3.6Å; L1154-I1187 HydrophobicContact CG-CD1 4.41Å; L1154-Y1190 HydrophobicContact CD2-CD1 4.16Å; L1154-Y1190 HydrophobicContact CD2-CD2 3.9Å; L1154-Y1190 HydrophobicContact CD2-CG 3.55Å |
| 1155 | V | 91 | Very high | 89.5 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | K1151 S1152 L1157 L1158 E1159 | K1151-V1155 WeakPolarHBondContact O-CB 3.42Å; K1151-V1155 VanDerWaalsContact O-CG2 3.28Å; K1151-V1155 WeakPolarHBondContact O-CG2 3.23Å; K1151-V1155 PolarHBondContact O-N 2.98Å; S1152-V1155 PolarHBondContact O-N 3.12Å; V1155-L1157 VanDerWaalsContact C-N 3.33Å; V1155-L1157 PolarHBondContact O-N 3.21Å; V1155-L1158 CarbonylContact O-C 3.58Å; V1155-L1158 PolarHBondContact O-N 3.38Å; V1155-L1158 VanDerWaalsContact O-N 3.1Å; V1155-E1159 HydrophobicContact CG1-CG 4.35Å; V1155-E1159 WeakPolarHBondContact CG1-OE1 3.3Å; V1155-E1159 WeakPolarHBondContact O-CB 3.36Å; V1155-E1159 WeakPolarHBondContact O-CG 3.3Å; V1155-E1159 PolarHBondContact O-N 3.18Å |
| 1156 | I | 91.1 | Very high | 89.6 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 179.6 | -74 | 178.1 | 0 | 0 | 0 | 111.9 | L1114 L1117 S1152 E1159 T1160 | L1114-I1156 HydrophobicContact CB-CD1 4.25Å; L1114-I1156 HydrophobicContact CD2-CD1 3.81Å; L1117-I1156 HydrophobicContact CB-CG2 3.45Å; L1117-I1156 VanDerWaalsContact CB-CG2 3.45Å; L1117-I1156 HydrophobicContact CD1-CG2 4.13Å; L1117-I1156 HydrophobicContact CG-CG2 4.42Å; S1152-I1156 WeakPolarHBondContact O-CB 3.43Å; S1152-I1156 WeakPolarHBondContact O-CG1 3.25Å; S1152-I1156 PolarHBondContact O-N 3.3Å; I1156-E1159 PolarHBondContact O-N 3.21Å; I1156-T1160 VanDerWaalsContact O-CB 3.28Å; I1156-T1160 WeakPolarHBondContact O-CB 3.46Å; I1156-T1160 PolarHBondContact O-N 3.03Å; I1156-T1160 PolarHBondContact O-OG1 3.02Å |
| 1157 | L | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 173.1 | -75.9 | 173.4 | 0 | 0 | 0 | 112.5 | M1131 L1134 V1153 L1154 V1155 T1160 L1161 A1172 V1175 I1179 | M1131-L1157 HydrophobicContact CG-CD2 4.47Å; L1134-L1157 HydrophobicContact CD2-CD1 4.05Å; L1134-L1157 HydrophobicContact CD2-CD2 4.29Å; L1134-L1157 HydrophobicContact CD2-CG 4.32Å; V1153-L1157 HydrophobicContact CG1-CD1 4.02Å; V1153-L1157 WeakPolarHBondContact O-CB 3.33Å; V1153-L1157 WeakPolarHBondContact O-CG 3.16Å; V1153-L1157 PolarHBondContact O-N 3.37Å; L1154-L1157 PolarHBondContact O-N 2.99Å; V1155-L1157 VanDerWaalsContact C-N 3.33Å; V1155-L1157 PolarHBondContact O-N 3.21Å; L1157-T1160 WeakPolarHBondContact O-CB 3.49Å; L1157-T1160 PolarHBondContact O-N 3.06Å; L1157-L1161 PolarHBondContact O-N 3.19Å; L1157-A1172 HydrophobicContact CD2-CB 4.42Å; L1157-V1175 HydrophobicContact CD1-CG1 4.07Å; L1157-V1175 HydrophobicContact CD2-CB 4.33Å; L1157-V1175 HydrophobicContact CD2-CG1 4.06Å; L1157-I1179 HydrophobicContact CD1-CD1 3.52Å |
| 1158 | L | 91.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.8 | -25.5 | 177.9 | -67.4 | 178 | 0 | 0 | 0 | 113.3 | L1154 V1155 L1161 L1176 V1193 T1194 K1197 | L1154-L1158 HydrophobicContact CD1-CD1 4.01Å; L1154-L1158 HydrophobicContact CD1-CG 4.08Å; L1154-L1158 HydrophobicContact CG-CD1 3.98Å; L1154-L1158 HydrophobicContact CG-CG 4.4Å; L1154-L1158 WeakPolarHBondContact O-CB 3.47Å; L1154-L1158 VanDerWaalsContact O-CG 3.24Å; L1154-L1158 WeakPolarHBondContact O-CG 3.47Å; L1154-L1158 PolarHBondContact O-N 2.86Å; V1155-L1158 CarbonylContact O-C 3.58Å; V1155-L1158 PolarHBondContact O-N 3.38Å; V1155-L1158 VanDerWaalsContact O-N 3.1Å; L1158-L1161 HydrophobicContact CD2-CD1 3.98Å; L1158-L1176 HydrophobicContact CD2-CD2 3.94Å; L1158-V1193 HydrophobicContact CD1-CG1 4.22Å; L1158-T1194 HydrophobicContact CD2-CG2 4.44Å; L1158-K1197 HydrophobicContact CB-CG 4.43Å; L1158-K1197 HydrophobicContact CD2-CB 3.89Å; L1158-K1197 HydrophobicContact CD2-CG 4.29Å |
| 1159 | E | 90.3 | Very high | 90 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75.4 | -37.2 | 168.2 | -72.9 | 172.2 | 167.7 | 0 | 0 | 111.3 | V1155 I1156 L1161 G1162 | V1155-E1159 HydrophobicContact CG1-CG 4.35Å; V1155-E1159 WeakPolarHBondContact CG1-OE1 3.3Å; V1155-E1159 WeakPolarHBondContact O-CB 3.36Å; V1155-E1159 WeakPolarHBondContact O-CG 3.3Å; V1155-E1159 PolarHBondContact O-N 3.18Å; I1156-E1159 PolarHBondContact O-N 3.21Å; E1159-L1161 PolarHBondContact O-N 3.22Å; E1159-G1162 WeakPolarHBondContact O-CA 3.26Å; E1159-G1162 PolarHBondContact O-N 3.22Å |
| 1160 | T | 90.1 | Very high | 90 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -22 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | M1131 I1156 L1157 G1162 D1163 V1168 A1172 | M1131-T1160 HydrophobicContact SD-CG2 4.37Å; I1156-T1160 VanDerWaalsContact O-CB 3.28Å; I1156-T1160 WeakPolarHBondContact O-CB 3.46Å; I1156-T1160 PolarHBondContact O-N 3.03Å; I1156-T1160 PolarHBondContact O-OG1 3.02Å; L1157-T1160 WeakPolarHBondContact O-CB 3.49Å; L1157-T1160 PolarHBondContact O-N 3.06Å; T1160-G1162 PolarHBondContact O-N 3.16Å; T1160-D1163 VanDerWaalsContact O-CB 3.3Å; T1160-D1163 WeakPolarHBondContact O-CB 3.31Å; T1160-D1163 PolarHBondContact O-N 2.72Å; T1160-V1168 HydrophobicContact CG2-CG1 3.48Å; T1160-V1168 VanDerWaalsContact CG2-CG1 3.48Å; T1160-A1172 HydrophobicContact CG2-CB 3.91Å |
| 1161 | L | 90.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.8 | 167.1 | -60.2 | -175.9 | 0 | 0 | 0 | 113.8 | L1157 L1158 E1159 R1169 A1172 L1173 L1176 K1197 | L1157-L1161 PolarHBondContact O-N 3.19Å; L1158-L1161 HydrophobicContact CD2-CD1 3.98Å; E1159-L1161 PolarHBondContact O-N 3.22Å; L1161-R1169 WeakPolarHBondContact O-CD 3.28Å; L1161-A1172 HydrophobicContact CD2-CB 3.99Å; L1161-L1173 HydrophobicContact CD1-CD2 4.15Å; L1161-L1173 HydrophobicContact CD2-CD1 4.37Å; L1161-L1173 HydrophobicContact CD2-CD2 3.53Å; L1161-L1173 HydrophobicContact CD2-CG 3.59Å; L1161-L1176 HydrophobicContact CD1-CD2 4.38Å; L1161-K1197 HydrophobicContact CD1-CB 4.3Å |
| 1162 | G | 86.7 | Confident | 90.2 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 62% | 0.619 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 10.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1159 T1160 | E1159-G1162 WeakPolarHBondContact O-CA 3.26Å; E1159-G1162 PolarHBondContact O-N 3.22Å; T1160-G1162 PolarHBondContact O-N 3.16Å |
| 1163 | D | 88.2 | Confident | 90.3 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | trans | -66.4 | 155.6 | -175.7 | -156.6 | -87.2 | 0 | 0 | 0 | 113.3 | R1127 T1160 D1165 V1168 R1169 | R1127-D1163 IonicContact CZ-OD2 3.8Å; R1127-D1163 IonicContact NH1-OD1 3.14Å; R1127-D1163 IonicContact NH1-OD2 3.49Å; R1127-D1163 PolarHBondContact NH1-OD2 3.27Å; R1127-D1163 IonicContact NH2-OD2 2.72Å; R1127-D1163 PolarHBondContact NH2-OD2 3.49Å; T1160-D1163 VanDerWaalsContact O-CB 3.3Å; T1160-D1163 WeakPolarHBondContact O-CB 3.31Å; T1160-D1163 PolarHBondContact O-N 2.72Å; D1163-D1165 PolarHBondContact OD1-N 3.41Å; D1163-V1168 HydrophobicContact CB-CG1 4.16Å; D1163-R1169 HydrophobicContact CB-CG 4.01Å; D1163-R1169 VanDerWaalsContact O-CD 3.23Å; D1163-R1169 WeakPolarHBondContact O-CD 3.21Å; D1163-R1169 PolarHBondContact O-NH1 3.41Å | ||
| 1164 | N | 85.8 | Confident | 90.3 | Very high | 152 Ų | 152 | 38.3 Ų | 38.3 | 81% | 0.813 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -68.9 | -35 | 175.5 | -65.7 | -64.2 | 0 | 0 | 0 | 112.1 | R1169 | N1164-R1169 PolarHBondContact O-NH1 2.9Å; N1164-R1169 VanDerWaalsContact O-NH1 3.08Å |
| 1165 | D | 87.2 | Confident | 90.4 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | trans | -82.6 | 117.8 | -179.1 | -173.1 | -26.7 | 0 | 0 | 0 | 111.5 | S1124 D1163 E1167 V1168 R1169 | S1124-D1165 WeakPolarHBondContact CB-OD2 3.42Å; S1124-D1165 PolarHBondContact OG-OD2 3.31Å; D1163-D1165 PolarHBondContact OD1-N 3.41Å; D1165-E1167 VanDerWaalsContact C-N 3.31Å; D1165-E1167 PolarHBondContact O-N 2.88Å; D1165-E1167 WeakPolarHBondContact OD1-CB 3.4Å; D1165-E1167 PolarHBondContact OD1-N 2.89Å; D1165-V1168 HydrophobicContact CB-CB 4.03Å; D1165-V1168 HydrophobicContact CB-CG2 3.79Å; D1165-V1168 WeakPolarHBondContact O-CB 3.29Å; D1165-V1168 PolarHBondContact O-N 3.04Å; D1165-V1168 PolarHBondContact OD1-N 3.28Å; D1165-R1169 WeakPolarHBondContact O-CG 3.34Å; D1165-R1169 PolarHBondContact O-N 3.46Å | ||
| 1166 | A | 88.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 22% | 0.223 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -29.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1168 R1169 A1170 E1206 V1209 | A1166-V1168 VanDerWaalsContact C-N 3.33Å; A1166-R1169 PolarHBondContact O-N 3.03Å; A1166-A1170 VanDerWaalsContact O-CB 3.25Å; A1166-A1170 WeakPolarHBondContact O-CB 3.44Å; A1166-A1170 PolarHBondContact O-N 2.82Å; A1166-E1206 HydrophobicContact CB-CB 4.18Å; A1166-E1206 HydrophobicContact CB-CG 3.76Å; A1166-V1209 HydrophobicContact CB-CG2 4.46Å; A1166-V1209 WeakPolarHBondContact O-CG2 3.44Å |
| 1167 | E | 87.7 | Confident | 90.5 | Very high | 117 Ų | 117 | 37.5 Ų | 37.5 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.9 | -31.1 | 176.9 | -58.2 | -174.9 | 173.8 | 0 | 0 | 111 | K1128 D1165 Y1171 | K1128-E1167 IonicContact NZ-OE2 2.97Å; K1128-E1167 PolarHBondContact NZ-OE2 3.39Å; D1165-E1167 VanDerWaalsContact C-N 3.31Å; D1165-E1167 PolarHBondContact O-N 2.88Å; D1165-E1167 WeakPolarHBondContact OD1-CB 3.4Å; D1165-E1167 PolarHBondContact OD1-N 2.89Å; E1167-Y1171 WeakPolarHBondContact O-CB 3.33Å; E1167-Y1171 PolarHBondContact O-N 3.06Å; E1167-Y1171 VanDerWaalsContact O-N 3.07Å |
| 1168 | V | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -48.6 | 171.9 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | M1131 T1160 D1163 D1165 A1166 A1170 Y1171 A1172 | M1131-V1168 HydrophobicContact CE-CG1 3.9Å; T1160-V1168 HydrophobicContact CG2-CG1 3.48Å; T1160-V1168 VanDerWaalsContact CG2-CG1 3.48Å; D1163-V1168 HydrophobicContact CB-CG1 4.16Å; D1165-V1168 HydrophobicContact CB-CB 4.03Å; D1165-V1168 HydrophobicContact CB-CG2 3.79Å; D1165-V1168 WeakPolarHBondContact O-CB 3.29Å; D1165-V1168 PolarHBondContact O-N 3.04Å; D1165-V1168 PolarHBondContact OD1-N 3.28Å; A1166-V1168 VanDerWaalsContact C-N 3.33Å; V1168-A1170 VanDerWaalsContact C-N 3.34Å; V1168-A1170 PolarHBondContact O-N 3.03Å; V1168-Y1171 PolarHBondContact O-N 3.12Å; V1168-A1172 PolarHBondContact O-N 2.82Å |
| 1169 | R | 92 | Very high | 90.3 | Very high | 24 Ų | 24 | 38.7 Ų | 38.7 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 174.5 | -63.4 | -162.8 | -58.1 | -77.2 | 1.3 | 112.3 | L1161 D1163 N1164 D1165 A1166 Y1171 A1172 D1204 V1209 | L1161-R1169 WeakPolarHBondContact O-CD 3.28Å; D1163-R1169 HydrophobicContact CB-CG 4.01Å; D1163-R1169 VanDerWaalsContact O-CD 3.23Å; D1163-R1169 WeakPolarHBondContact O-CD 3.21Å; D1163-R1169 PolarHBondContact O-NH1 3.41Å; N1164-R1169 PolarHBondContact O-NH1 2.9Å; N1164-R1169 VanDerWaalsContact O-NH1 3.08Å; D1165-R1169 WeakPolarHBondContact O-CG 3.34Å; D1165-R1169 PolarHBondContact O-N 3.46Å; A1166-R1169 PolarHBondContact O-N 3.03Å; R1169-Y1171 VanDerWaalsContact C-N 3.34Å; R1169-Y1171 PolarHBondContact O-N 3.32Å; R1169-A1172 PolarHBondContact O-N 2.73Å; R1169-D1204 IonicContact CZ-OD2 3.79Å; R1169-D1204 VanDerWaalsContact CZ-OD2 3.23Å; R1169-D1204 IonicContact NE-OD2 3.21Å; R1169-D1204 PolarHBondContact NE-OD2 3.34Å; R1169-D1204 IonicContact NH2-OD1 2.97Å; R1169-D1204 PolarHBondContact NH2-OD1 3.47Å; R1169-D1204 IonicContact NH2-OD2 2.6Å; R1169-D1204 PolarHBondContact NH2-OD2 3.04Å; R1169-V1209 HydrophobicContact CB-CG1 4.16Å; R1169-V1209 HydrophobicContact CB-CG2 4.1Å |
| 1170 | A | 90.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 34 Ų | 34 | 12% | 0.124 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1166 V1168 P1174 V1209 | A1166-A1170 VanDerWaalsContact O-CB 3.25Å; A1166-A1170 WeakPolarHBondContact O-CB 3.44Å; A1166-A1170 PolarHBondContact O-N 2.82Å; V1168-A1170 VanDerWaalsContact C-N 3.34Å; V1168-A1170 PolarHBondContact O-N 3.03Å; A1170-P1174 WeakPolarHBondContact O-CD 3.45Å; A1170-V1209 HydrophobicContact CB-CG2 3.98Å |
| 1171 | Y | 91.9 | Very high | 90 | Very high | 82 Ų | 82 | 36 Ų | 36 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -77.6 | -30.3 | -179.6 | -157.2 | -94.3 | 0 | 0 | 0 | 113.3 | K1128 M1131 S1132 E1167 V1168 R1169 L1173 P1174 V1175 | K1128-Y1171 HydrophobicContact CG-CG 4.44Å; M1131-Y1171 HydrophobicContact CB-CD1 3.66Å; M1131-Y1171 HydrophobicContact CB-CE1 3.81Å; M1131-Y1171 HydrophobicContact CE-CD1 3.95Å; M1131-Y1171 HydrophobicContact CE-CG 4.41Å; M1131-Y1171 HydrophobicContact CG-CD1 4.45Å; M1131-Y1171 HydrophobicContact SD-CD1 4.03Å; S1132-Y1171 PolarHBondContact OG-OH 3.21Å; E1167-Y1171 WeakPolarHBondContact O-CB 3.33Å; E1167-Y1171 PolarHBondContact O-N 3.06Å; E1167-Y1171 VanDerWaalsContact O-N 3.07Å; V1168-Y1171 PolarHBondContact O-N 3.12Å; R1169-Y1171 VanDerWaalsContact C-N 3.34Å; R1169-Y1171 PolarHBondContact O-N 3.32Å; Y1171-L1173 VanDerWaalsContact C-N 3.28Å; Y1171-L1173 PolarHBondContact O-N 3.24Å; Y1171-P1174 WeakPolarHBondContact O-CD 3.47Å; Y1171-V1175 HydrophobicContact CD1-CG2 4.19Å; Y1171-V1175 HydrophobicContact CE1-CG2 4.3Å; Y1171-V1175 VanDerWaalsContact O-CG2 3.29Å; Y1171-V1175 WeakPolarHBondContact O-CG2 3.48Å |
| 1172 | A | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -33 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1131 L1157 T1160 L1161 V1168 R1169 V1175 L1176 | M1131-A1172 VanDerWaalsContact SD-CA 3.52Å; M1131-A1172 HydrophobicContact SD-CB 3.75Å; L1157-A1172 HydrophobicContact CD2-CB 4.42Å; T1160-A1172 HydrophobicContact CG2-CB 3.91Å; L1161-A1172 HydrophobicContact CD2-CB 3.99Å; V1168-A1172 PolarHBondContact O-N 2.82Å; R1169-A1172 PolarHBondContact O-N 2.73Å; A1172-V1175 WeakPolarHBondContact O-CB 3.42Å; A1172-V1175 PolarHBondContact O-N 2.71Å; A1172-L1176 WeakPolarHBondContact O-CB 3.5Å; A1172-L1176 PolarHBondContact O-N 3.26Å |
| 1173 | L | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | -176.8 | -71 | 161.8 | 0 | 0 | 0 | 113.6 | L1161 Y1171 V1175 K1177 L1198 V1209 A1213 | L1161-L1173 HydrophobicContact CD1-CD2 4.15Å; L1161-L1173 HydrophobicContact CD2-CD1 4.37Å; L1161-L1173 HydrophobicContact CD2-CD2 3.53Å; L1161-L1173 HydrophobicContact CD2-CG 3.59Å; Y1171-L1173 VanDerWaalsContact C-N 3.28Å; Y1171-L1173 PolarHBondContact O-N 3.24Å; L1173-V1175 VanDerWaalsContact C-N 3.29Å; L1173-V1175 PolarHBondContact O-N 2.76Å; L1173-K1177 WeakPolarHBondContact O-CB 3.24Å; L1173-K1177 PolarHBondContact O-N 3.49Å; L1173-L1198 HydrophobicContact CD2-CD2 3.41Å; L1173-L1198 VanDerWaalsContact CD2-CD2 3.41Å; L1173-V1209 HydrophobicContact CD1-CG1 3.69Å; L1173-V1209 WeakPolarHBondContact CD1-O 3.49Å; L1173-A1213 HydrophobicContact CD1-CB 4Å; L1173-A1213 HydrophobicContact CD2-CB 4.25Å |
| 1174 | P | 91.9 | Very high | 89.5 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 29% | 0.286 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.3 | -27.7 | 168.1 | -28.5 | 35.4 | 0 | 0 | 0 | 115.6 | A1170 Y1171 E1178 | A1170-P1174 WeakPolarHBondContact O-CD 3.45Å; Y1171-P1174 WeakPolarHBondContact O-CD 3.47Å; P1174-E1178 PolarHBondContact O-N 3.13Å; P1174-E1178 VanDerWaalsContact O-N 3.16Å |
| 1175 | V | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.2 | -48.7 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | M1131 L1134 K1135 L1157 Y1171 A1172 L1173 K1177 E1178 I1179 | M1131-V1175 HydrophobicContact CB-CG2 4Å; M1131-V1175 HydrophobicContact CG-CG2 4.42Å; L1134-V1175 HydrophobicContact CD2-CG1 3.96Å; L1134-V1175 HydrophobicContact CG-CG1 4.18Å; K1135-V1175 HydrophobicContact CB-CG1 4.45Å; K1135-V1175 HydrophobicContact CB-CG2 4.26Å; L1157-V1175 HydrophobicContact CD1-CG1 4.07Å; L1157-V1175 HydrophobicContact CD2-CB 4.33Å; L1157-V1175 HydrophobicContact CD2-CG1 4.06Å; Y1171-V1175 HydrophobicContact CD1-CG2 4.19Å; Y1171-V1175 HydrophobicContact CE1-CG2 4.3Å; Y1171-V1175 VanDerWaalsContact O-CG2 3.29Å; Y1171-V1175 WeakPolarHBondContact O-CG2 3.48Å; A1172-V1175 WeakPolarHBondContact O-CB 3.42Å; A1172-V1175 PolarHBondContact O-N 2.71Å; L1173-V1175 VanDerWaalsContact C-N 3.29Å; L1173-V1175 PolarHBondContact O-N 2.76Å; V1175-K1177 VanDerWaalsContact C-N 3.27Å; V1175-K1177 PolarHBondContact O-N 3.22Å; V1175-E1178 PolarHBondContact O-N 2.78Å; V1175-E1178 VanDerWaalsContact O-N 3.14Å; V1175-I1179 HydrophobicContact CG1-CD1 3.93Å; V1175-I1179 WeakPolarHBondContact O-CG1 3.4Å; V1175-I1179 PolarHBondContact O-N 2.93Å |
| 1176 | L | 93.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.8 | -43.2 | 172.4 | 179.9 | 63.1 | 0 | 0 | 0 | 111.2 | L1154 L1158 L1161 A1172 I1179 C1180 T1194 L1198 | L1154-L1176 HydrophobicContact CD1-CD1 3.53Å; L1158-L1176 HydrophobicContact CD2-CD2 3.94Å; L1161-L1176 HydrophobicContact CD1-CD2 4.38Å; A1172-L1176 WeakPolarHBondContact O-CB 3.5Å; A1172-L1176 PolarHBondContact O-N 3.26Å; L1176-I1179 PolarHBondContact O-N 2.82Å; L1176-C1180 WeakPolarHBondContact O-CB 3.39Å; L1176-C1180 PolarHBondContact O-N 3.45Å; L1176-C1180 PolarHBondContact O-SG 2.78Å; L1176-T1194 HydrophobicContact CD1-CG2 4.38Å; L1176-T1194 HydrophobicContact CD2-CG2 4.33Å; L1176-L1198 HydrophobicContact CD2-CD1 4.38Å; L1176-L1198 HydrophobicContact CD2-CD2 4.08Å; L1176-L1198 HydrophobicContact CD2-CG 4.28Å |
| 1177 | K | 92 | Very high | 89.2 | Confident | 70 Ų | 70 | 39.9 Ų | 39.9 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57 | -49.2 | 173.9 | 175 | 175.2 | 167.9 | 163.1 | 0 | 112.5 | L1173 V1175 T1181 C1216 V1219 | L1173-K1177 WeakPolarHBondContact O-CB 3.24Å; L1173-K1177 PolarHBondContact O-N 3.49Å; V1175-K1177 VanDerWaalsContact C-N 3.27Å; V1175-K1177 PolarHBondContact O-N 3.22Å; K1177-T1181 WeakPolarHBondContact O-CB 3.4Å; K1177-T1181 PolarHBondContact O-N 3.18Å; K1177-T1181 PolarHBondContact O-OG1 2.9Å; K1177-C1216 HydrophobicContact CB-CB 4.31Å; K1177-V1219 HydrophobicContact CD-CB 4.47Å; K1177-V1219 HydrophobicContact CD-CG2 4.46Å; K1177-V1219 HydrophobicContact CG-CB 4.43Å; K1177-V1219 HydrophobicContact CG-CG1 4.34Å |
| 1178 | E | 90.4 | Very high | 89 | Confident | 35 Ų | 35 | 41 Ų | 41 | 16% | 0.164 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | -179.8 | -167.2 | 74.5 | -141.3 | 0 | 0 | 110.6 | K1135 P1174 V1175 C1180 T1181 R1182 | K1135-E1178 HydrophobicContact CG-CB 4.19Å; K1135-E1178 HydrophobicContact CG-CG 4.23Å; P1174-E1178 PolarHBondContact O-N 3.13Å; P1174-E1178 VanDerWaalsContact O-N 3.16Å; V1175-E1178 PolarHBondContact O-N 2.78Å; V1175-E1178 VanDerWaalsContact O-N 3.14Å; E1178-C1180 PolarHBondContact O-N 2.76Å; E1178-T1181 WeakPolarHBondContact O-CB 3.25Å; E1178-T1181 PolarHBondContact O-N 3.38Å; E1178-T1181 VanDerWaalsContact O-N 3.09Å; E1178-R1182 HydrophobicContact CG-CG 4.26Å; E1178-R1182 WeakPolarHBondContact O-CB 3.34Å; E1178-R1182 WeakPolarHBondContact O-CG 3.26Å; E1178-R1182 PolarHBondContact O-N 3.3Å; E1178-R1182 IonicContact OE1-CZ 3.63Å; E1178-R1182 IonicContact OE1-NE 2.88Å; E1178-R1182 PolarHBondContact OE1-NE 3.44Å; E1178-R1182 IonicContact OE1-NH2 2.75Å; E1178-R1182 PolarHBondContact OE1-NH2 3.35Å |
| 1179 | I | 88.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | -179.5 | -67 | 165.8 | 0 | 0 | 0 | 110.9 | L1134 S1138 W1146 F1150 V1153 L1157 V1175 L1176 T1181 R1182 Q1183 | L1134-I1179 HydrophobicContact CD2-CD1 4.13Å; L1134-I1179 HydrophobicContact CG-CD1 4.13Å; S1138-I1179 WeakPolarHBondContact OG-CA 3.36Å; W1146-I1179 HydrophobicContact CH2-CD1 4.36Å; W1146-I1179 HydrophobicContact CH2-CG1 4.09Å; W1146-I1179 HydrophobicContact CH2-CG2 4.27Å; W1146-I1179 HydrophobicContact CZ3-CG2 4.24Å; F1150-I1179 HydrophobicContact CD2-CG2 4.33Å; F1150-I1179 HydrophobicContact CE2-CG2 3.74Å; V1153-I1179 HydrophobicContact CG1-CD1 3.94Å; L1157-I1179 HydrophobicContact CD1-CD1 3.52Å; V1175-I1179 HydrophobicContact CG1-CD1 3.93Å; V1175-I1179 WeakPolarHBondContact O-CG1 3.4Å; V1175-I1179 PolarHBondContact O-N 2.93Å; L1176-I1179 PolarHBondContact O-N 2.82Å; I1179-T1181 VanDerWaalsContact C-N 3.29Å; I1179-T1181 PolarHBondContact O-N 2.67Å; I1179-R1182 PolarHBondContact O-N 3.16Å; I1179-Q1183 WeakPolarHBondContact O-CB 3.28Å; I1179-Q1183 PolarHBondContact O-N 3.39Å |
| 1180 | C | 85.8 | Confident | 88.6 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -26.5 | 179.3 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | L1176 E1178 I1187 L1220 | L1176-C1180 WeakPolarHBondContact O-CB 3.39Å; L1176-C1180 PolarHBondContact O-N 3.45Å; L1176-C1180 PolarHBondContact O-SG 2.78Å; E1178-C1180 PolarHBondContact O-N 2.76Å; C1180-I1187 VanDerWaalsContact SG-CD1 3.6Å; C1180-L1220 HydrophobicContact CB-CD2 3.43Å; C1180-L1220 VanDerWaalsContact CB-CD2 3.43Å; C1180-L1220 HydrophobicContact CB-CG 4.08Å |
| 1181 | T | 87.4 | Confident | 88.4 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.2 | -38.8 | 174.3 | -56.9 | 0 | 0 | 0 | 0 | 111 | K1177 E1178 I1179 | K1177-T1181 WeakPolarHBondContact O-CB 3.4Å; K1177-T1181 PolarHBondContact O-N 3.18Å; K1177-T1181 PolarHBondContact O-OG1 2.9Å; E1178-T1181 WeakPolarHBondContact O-CB 3.25Å; E1178-T1181 PolarHBondContact O-N 3.38Å; E1178-T1181 VanDerWaalsContact O-N 3.09Å; I1179-T1181 VanDerWaalsContact C-N 3.29Å; I1179-T1181 PolarHBondContact O-N 2.67Å |
| 1182 | R | 87.7 | Confident | 88.3 | Confident | 94 Ų | 94 | 46.3 Ų | 46.3 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -85.4 | -28.5 | -176 | -61.6 | -76.9 | 175.7 | -169.4 | -0.7 | 113.4 | D1082 S1138 E1178 I1179 P1184 | D1082-R1182 IonicContact OD2-CZ 2.71Å; D1082-R1182 IonicContact OD2-NH1 2.73Å; D1082-R1182 PolarHBondContact OD2-NH1 3.44Å; D1082-R1182 IonicContact OD2-NH2 3.14Å; S1138-R1182 WeakPolarHBondContact O-CG 3.39Å; E1178-R1182 HydrophobicContact CG-CG 4.26Å; E1178-R1182 WeakPolarHBondContact O-CB 3.34Å; E1178-R1182 WeakPolarHBondContact O-CG 3.26Å; E1178-R1182 PolarHBondContact O-N 3.3Å; E1178-R1182 IonicContact OE1-CZ 3.63Å; E1178-R1182 IonicContact OE1-NE 2.88Å; E1178-R1182 PolarHBondContact OE1-NE 3.44Å; E1178-R1182 IonicContact OE1-NH2 2.75Å; E1178-R1182 PolarHBondContact OE1-NH2 3.35Å; I1179-R1182 PolarHBondContact O-N 3.16Å; R1182-P1184 WeakPolarHBondContact O-CD 3.47Å |
| 1183 | Q | 84.3 | Confident | 88.2 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | trans | -124.3 | 53.9 | -176.5 | -62.3 | -67.4 | -29.7 | 0 | 0 | 112.8 | W1146 F1150 I1179 Q1185 R1186 I1187 | W1146-Q1183 HydrophobicContact CD2-CG 4.38Å; F1150-Q1183 HydrophobicContact CE2-CB 4.11Å; I1179-Q1183 WeakPolarHBondContact O-CB 3.28Å; I1179-Q1183 PolarHBondContact O-N 3.39Å; Q1183-Q1185 VanDerWaalsContact C-N 3.27Å; Q1183-Q1185 PolarHBondContact O-N 3.09Å; Q1183-R1186 HydrophobicContact CB-CB 4.4Å; Q1183-R1186 HydrophobicContact CB-CG 4.37Å; Q1183-R1186 PolarHBondContact O-N 2.83Å; Q1183-I1187 PolarHBondContact O-N 3.41Å | ||
| 1184 | P | 82.3 | Confident | 88 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.1 | -171.7 | 27.9 | -36.7 | 0 | 0 | 0 | 114.5 | R1182 I1187 H1223 | R1182-P1184 WeakPolarHBondContact O-CD 3.47Å; P1184-I1187 VanDerWaalsContact O-CG2 3.29Å; P1184-I1187 WeakPolarHBondContact O-CG2 3.37Å; P1184-H1223 HydrophobicContact CB-CB 4.31Å |
| 1185 | Q | 83.8 | Confident | 88 | Confident | 148 Ų | 148 | 48.1 Ų | 48.1 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -40.3 | 175.7 | -59.4 | -60.2 | -12.2 | 0 | 0 | 111.9 | Q1183 R1188 | Q1183-Q1185 VanDerWaalsContact C-N 3.27Å; Q1183-Q1185 PolarHBondContact O-N 3.09Å; Q1185-R1188 VanDerWaalsContact O-CB 3.31Å; Q1185-R1188 WeakPolarHBondContact O-CB 3.33Å; Q1185-R1188 PolarHBondContact O-N 2.77Å |
| 1186 | R | 86.7 | Confident | 87.8 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 25% | 0.249 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -70.1 | -37.4 | -175.6 | -58.8 | -175.5 | 179.5 | -78.7 | 1.6 | 112.3 | D1147 F1150 Q1183 R1188 | D1147-R1186 IonicContact OD1-CZ 3.41Å; D1147-R1186 IonicContact OD1-NH1 3.87Å; D1147-R1186 PolarHBondContact OD1-NH1 3.03Å; D1147-R1186 IonicContact OD1-NH2 2.76Å; D1147-R1186 IonicContact OD2-CZ 3.48Å; D1147-R1186 IonicContact OD2-NH1 2.84Å; D1147-R1186 PolarHBondContact OD2-NH1 3.14Å; D1147-R1186 IonicContact OD2-NH2 3.64Å; D1147-R1186 PolarHBondContact OD2-NH2 2.77Å; F1150-R1186 HydrophobicContact CD1-CB 3.84Å; F1150-R1186 HydrophobicContact CD2-CB 3.8Å; F1150-R1186 HydrophobicContact CD2-CG 4.43Å; F1150-R1186 HydrophobicContact CE1-CB 3.67Å; F1150-R1186 WeakPolarHBondContact CE1-O 3.44Å; F1150-R1186 HydrophobicContact CE2-CB 3.63Å; F1150-R1186 HydrophobicContact CG-CB 3.91Å; F1150-R1186 HydrophobicContact CZ-CB 3.57Å; Q1183-R1186 HydrophobicContact CB-CB 4.4Å; Q1183-R1186 HydrophobicContact CB-CG 4.37Å; Q1183-R1186 PolarHBondContact O-N 2.83Å; R1186-R1188 PolarHBondContact O-N 3.11Å |
| 1187 | I | 86.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -68.6 | -18.5 | 179.3 | -165.5 | 66.8 | 0 | 0 | 0 | 113.1 | F1150 L1154 C1180 Q1183 P1184 G1189 Y1190 A1191 T1194 L1224 | F1150-I1187 HydrophobicContact CZ-CB 4.06Å; F1150-I1187 HydrophobicContact CZ-CD1 4.12Å; L1154-I1187 HydrophobicContact CD1-CD1 3.86Å; L1154-I1187 HydrophobicContact CD2-CD1 3.6Å; L1154-I1187 HydrophobicContact CG-CD1 4.41Å; C1180-I1187 VanDerWaalsContact SG-CD1 3.6Å; Q1183-I1187 PolarHBondContact O-N 3.41Å; P1184-I1187 VanDerWaalsContact O-CG2 3.29Å; P1184-I1187 WeakPolarHBondContact O-CG2 3.37Å; I1187-G1189 VanDerWaalsContact C-N 3.28Å; I1187-G1189 PolarHBondContact O-N 2.74Å; I1187-Y1190 CarbonylContact O-C 3.59Å; I1187-Y1190 PolarHBondContact O-N 2.89Å; I1187-A1191 PolarHBondContact O-N 2.7Å; I1187-T1194 HydrophobicContact CD1-CG2 4.24Å; I1187-L1224 HydrophobicContact CG1-CD2 4.25Å; I1187-L1224 HydrophobicContact CG2-CD2 3.63Å |
| 1188 | R | 83.2 | Confident | 87.7 | Confident | 142 Ų | 142 | 53 Ų | 53 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.2 | -36.5 | -174.3 | -169.4 | 175.2 | -176.7 | 165.7 | 1.9 | 113.6 | Q1185 R1186 Y1190 P1225 | Q1185-R1188 VanDerWaalsContact O-CB 3.31Å; Q1185-R1188 WeakPolarHBondContact O-CB 3.33Å; Q1185-R1188 PolarHBondContact O-N 2.77Å; R1186-R1188 PolarHBondContact O-N 3.11Å; R1188-Y1190 VanDerWaalsContact C-N 3.3Å; R1188-Y1190 PolarHBondContact O-N 2.94Å; R1188-P1225 HydrophobicContact CG-CG 4.2Å |
| 1189 | G | 83.9 | Confident | 87.7 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 75% | 0.753 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -74.3 | -15.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1187 | I1187-G1189 VanDerWaalsContact C-N 3.28Å; I1187-G1189 PolarHBondContact O-N 2.74Å |
| 1190 | Y | 88.9 | Confident | 87.7 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -118.1 | 5.9 | -175.2 | -56.2 | -83.9 | 0 | 0 | 0 | 113 | F1150 K1151 L1154 I1187 R1188 E1192 V1193 T1194 | F1150-Y1190 HydrophobicContact CD1-CD2 4.45Å; F1150-Y1190 HydrophobicContact CD1-CE2 4.22Å; F1150-Y1190 AromaticContact CE1-CD2 3.91Å; F1150-Y1190 HydrophobicContact CE1-CD2 3.91Å; F1150-Y1190 HydrophobicContact CE1-CE2 4.13Å; K1151-Y1190 HydrophobicContact CG-CE1 4.16Å; K1151-Y1190 WeakPolarHBondContact CG-OH 3.37Å; L1154-Y1190 HydrophobicContact CD2-CD1 4.16Å; L1154-Y1190 HydrophobicContact CD2-CD2 3.9Å; L1154-Y1190 HydrophobicContact CD2-CG 3.55Å; I1187-Y1190 CarbonylContact O-C 3.59Å; I1187-Y1190 PolarHBondContact O-N 2.89Å; R1188-Y1190 VanDerWaalsContact C-N 3.3Å; R1188-Y1190 PolarHBondContact O-N 2.94Å; Y1190-E1192 VanDerWaalsContact C-N 3.28Å; Y1190-E1192 PolarHBondContact O-N 2.92Å; Y1190-V1193 PolarHBondContact O-N 3.1Å; Y1190-T1194 WeakPolarHBondContact O-CB 3.43Å; Y1190-T1194 PolarHBondContact O-N 3.37Å; Y1190-T1194 PolarHBondContact O-OG1 3.48Å |
| 1191 | A | 87.9 | Confident | 88 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.9 | -39.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1187 T1194 I1195 L1224 V1228 | I1187-A1191 PolarHBondContact O-N 2.7Å; A1191-T1194 PolarHBondContact O-N 2.96Å; A1191-I1195 WeakPolarHBondContact O-CB 3.26Å; A1191-I1195 WeakPolarHBondContact O-CD1 3.31Å; A1191-I1195 WeakPolarHBondContact O-CG1 3.41Å; A1191-I1195 PolarHBondContact O-N 3.21Å; A1191-L1224 HydrophobicContact CB-CD1 4.13Å; A1191-L1224 HydrophobicContact CB-CD2 3.93Å; A1191-V1228 HydrophobicContact CB-CG1 3.68Å |
| 1192 | E | 89 | Confident | 88.1 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.8 | -50.8 | -178 | -57.3 | -169.8 | 162.5 | 0 | 0 | 112.8 | Y1190 T1194 I1195 L1196 R1231 V1232 | Y1190-E1192 VanDerWaalsContact C-N 3.28Å; Y1190-E1192 PolarHBondContact O-N 2.92Å; E1192-T1194 VanDerWaalsContact C-N 3.28Å; E1192-T1194 PolarHBondContact O-N 3.49Å; E1192-I1195 PolarHBondContact O-N 2.99Å; E1192-L1196 WeakPolarHBondContact O-CB 3.24Å; E1192-L1196 WeakPolarHBondContact O-CG 3.32Å; E1192-L1196 PolarHBondContact O-N 3.39Å; E1192-R1231 IonicContact OE1-CZ 2.98Å; E1192-R1231 IonicContact OE1-NE 3.47Å; E1192-R1231 PolarHBondContact OE1-NE 3.3Å; E1192-R1231 IonicContact OE1-NH2 3.42Å; E1192-R1231 PolarHBondContact OE1-NH2 2.89Å; E1192-V1232 HydrophobicContact CB-CG2 3.87Å; E1192-V1232 HydrophobicContact CG-CG2 3.74Å |
| 1193 | V | 90.4 | Very high | 88.1 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 178 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | L1158 Y1190 L1196 K1197 | L1158-V1193 HydrophobicContact CD1-CG1 4.22Å; Y1190-V1193 PolarHBondContact O-N 3.1Å; V1193-L1196 PolarHBondContact O-N 3.07Å; V1193-K1197 HydrophobicContact CG1-CG 4.46Å; V1193-K1197 WeakPolarHBondContact O-CB 3.18Å; V1193-K1197 VanDerWaalsContact O-CG 3.32Å; V1193-K1197 WeakPolarHBondContact O-CG 3.45Å; V1193-K1197 PolarHBondContact O-N 3.48Å |
| 1194 | T | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 178.3 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | L1158 L1176 I1187 Y1190 A1191 E1192 K1197 L1198 L1220 | L1158-T1194 HydrophobicContact CD2-CG2 4.44Å; L1176-T1194 HydrophobicContact CD1-CG2 4.38Å; L1176-T1194 HydrophobicContact CD2-CG2 4.33Å; I1187-T1194 HydrophobicContact CD1-CG2 4.24Å; Y1190-T1194 WeakPolarHBondContact O-CB 3.43Å; Y1190-T1194 PolarHBondContact O-N 3.37Å; Y1190-T1194 PolarHBondContact O-OG1 3.48Å; A1191-T1194 PolarHBondContact O-N 2.96Å; E1192-T1194 VanDerWaalsContact C-N 3.28Å; E1192-T1194 PolarHBondContact O-N 3.49Å; T1194-K1197 PolarHBondContact O-N 3.01Å; T1194-L1198 HydrophobicContact CG2-CD1 3.98Å; T1194-L1198 WeakPolarHBondContact O-CB 3.48Å; T1194-L1198 WeakPolarHBondContact O-CD1 3.45Å; T1194-L1198 VanDerWaalsContact O-CG 3.32Å; T1194-L1198 WeakPolarHBondContact O-CG 3.5Å; T1194-L1198 PolarHBondContact O-N 3.14Å; T1194-L1220 HydrophobicContact CG2-CD1 4.22Å |
| 1195 | I | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 176.7 | -69.1 | 166.2 | 0 | 0 | 0 | 110.4 | A1191 E1192 K1197 L1198 L1199 L1224 C1229 V1232 L1233 M1251 | A1191-I1195 WeakPolarHBondContact O-CB 3.26Å; A1191-I1195 WeakPolarHBondContact O-CD1 3.31Å; A1191-I1195 WeakPolarHBondContact O-CG1 3.41Å; A1191-I1195 PolarHBondContact O-N 3.21Å; E1192-I1195 PolarHBondContact O-N 2.99Å; I1195-K1197 PolarHBondContact O-N 3.36Å; I1195-L1198 PolarHBondContact O-N 2.99Å; I1195-L1199 HydrophobicContact CG2-CD1 3.69Å; I1195-L1199 HydrophobicContact CG2-CG 4.15Å; I1195-L1199 WeakPolarHBondContact O-CB 3.24Å; I1195-L1199 VanDerWaalsContact O-CG 3.25Å; I1195-L1199 WeakPolarHBondContact O-CG 3.5Å; I1195-L1199 PolarHBondContact O-N 2.86Å; I1195-L1224 HydrophobicContact CD1-CD1 3.89Å; I1195-L1224 HydrophobicContact CG1-CD1 4.02Å; I1195-C1229 HydrophobicContact CD1-CB 4.27Å; I1195-V1232 HydrophobicContact CB-CG1 4.19Å; I1195-V1232 HydrophobicContact CD1-CG2 4.36Å; I1195-V1232 HydrophobicContact CG2-CB 4.12Å; I1195-V1232 HydrophobicContact CG2-CG1 3.65Å; I1195-L1233 HydrophobicContact CG2-CD2 4.45Å; I1195-M1251 HydrophobicContact CD1-CE 4.35Å; I1195-M1251 HydrophobicContact CG1-CE 3.98Å; I1195-M1251 HydrophobicContact CG1-SD 4.5Å; I1195-M1251 HydrophobicContact CG2-SD 4.16Å |
| 1196 | L | 90.4 | Very high | 88.8 | Confident | 90 Ų | 90 | 53.5 Ų | 53.5 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 179.7 | -73.4 | 171.3 | 0 | 0 | 0 | 111.8 | E1192 V1193 L1199 D1200 V1232 V1236 | E1192-L1196 WeakPolarHBondContact O-CB 3.24Å; E1192-L1196 WeakPolarHBondContact O-CG 3.32Å; E1192-L1196 PolarHBondContact O-N 3.39Å; V1193-L1196 PolarHBondContact O-N 3.07Å; L1196-L1199 PolarHBondContact O-N 3.42Å; L1196-D1200 WeakPolarHBondContact O-CB 3.48Å; L1196-D1200 PolarHBondContact O-N 3.01Å; L1196-V1232 HydrophobicContact CD2-CG1 3.72Å; L1196-V1232 HydrophobicContact CG-CG1 3.8Å; L1196-V1236 HydrophobicContact CD2-CG2 4.28Å |
| 1197 | K | 90.7 | Very high | 88.9 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 176.6 | -75.9 | -76 | -175 | 167.6 | 0 | 112.9 | L1158 L1161 V1193 T1194 I1195 D1200 A1201 | L1158-K1197 HydrophobicContact CB-CG 4.43Å; L1158-K1197 HydrophobicContact CD2-CB 3.89Å; L1158-K1197 HydrophobicContact CD2-CG 4.29Å; L1161-K1197 HydrophobicContact CD1-CB 4.3Å; V1193-K1197 HydrophobicContact CG1-CG 4.46Å; V1193-K1197 WeakPolarHBondContact O-CB 3.18Å; V1193-K1197 VanDerWaalsContact O-CG 3.32Å; V1193-K1197 WeakPolarHBondContact O-CG 3.45Å; V1193-K1197 PolarHBondContact O-N 3.48Å; T1194-K1197 PolarHBondContact O-N 3.01Å; I1195-K1197 PolarHBondContact O-N 3.36Å; K1197-D1200 PolarHBondContact O-N 3.32Å; K1197-A1201 PolarHBondContact O-N 3.37Å |
| 1198 | L | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -40 | 175.2 | -77.7 | 166 | 0 | 0 | 0 | 113 | L1173 L1176 T1194 I1195 D1200 A1201 H1202 C1216 L1220 | L1173-L1198 HydrophobicContact CD2-CD2 3.41Å; L1173-L1198 VanDerWaalsContact CD2-CD2 3.41Å; L1176-L1198 HydrophobicContact CD2-CD1 4.38Å; L1176-L1198 HydrophobicContact CD2-CD2 4.08Å; L1176-L1198 HydrophobicContact CD2-CG 4.28Å; T1194-L1198 HydrophobicContact CG2-CD1 3.98Å; T1194-L1198 WeakPolarHBondContact O-CB 3.48Å; T1194-L1198 WeakPolarHBondContact O-CD1 3.45Å; T1194-L1198 VanDerWaalsContact O-CG 3.32Å; T1194-L1198 WeakPolarHBondContact O-CG 3.5Å; T1194-L1198 PolarHBondContact O-N 3.14Å; I1195-L1198 PolarHBondContact O-N 2.99Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; L1198-A1201 PolarHBondContact O-N 3.39Å; L1198-H1202 PolarHBondContact O-N 2.95Å; L1198-H1202 PolarHBondContact O-ND1 3.21Å; L1198-C1216 HydrophobicContact CD2-CB 4.04Å; L1198-L1220 HydrophobicContact CD1-CD1 3.16Å |
| 1199 | L | 90.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 173.8 | -68.9 | 174.1 | 0 | 0 | 0 | 110.7 | I1195 L1196 H1202 L1233 V1236 T1244 A1247 A1248 | I1195-L1199 HydrophobicContact CG2-CD1 3.69Å; I1195-L1199 HydrophobicContact CG2-CG 4.15Å; I1195-L1199 WeakPolarHBondContact O-CB 3.24Å; I1195-L1199 VanDerWaalsContact O-CG 3.25Å; I1195-L1199 WeakPolarHBondContact O-CG 3.5Å; I1195-L1199 PolarHBondContact O-N 2.86Å; L1196-L1199 PolarHBondContact O-N 3.42Å; L1199-H1202 WeakPolarHBondContact O-CB 3.33Å; L1199-H1202 PolarHBondContact O-N 3.28Å; L1199-L1233 HydrophobicContact CD1-CD2 4.01Å; L1199-V1236 HydrophobicContact CD1-CG1 4.35Å; L1199-V1236 HydrophobicContact CD1-CG2 4.32Å; L1199-T1244 HydrophobicContact CB-CG2 4.12Å; L1199-T1244 WeakPolarHBondContact O-CG2 3.4Å; L1199-A1247 HydrophobicContact CD2-CB 3.65Å; L1199-A1248 HydrophobicContact CD1-CB 4.47Å; L1199-A1248 HydrophobicContact CD2-CB 4.15Å |
| 1200 | D | 89.3 | Confident | 89.7 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 174.3 | -152.8 | 49.7 | 0 | 0 | 0 | 112.2 | L1196 K1197 L1198 H1202 K1203 | L1196-D1200 WeakPolarHBondContact O-CB 3.48Å; L1196-D1200 PolarHBondContact O-N 3.01Å; K1197-D1200 PolarHBondContact O-N 3.32Å; L1198-D1200 VanDerWaalsContact C-N 3.3Å; D1200-H1202 PolarHBondContact O-N 2.76Å; D1200-H1202 VanDerWaalsContact O-N 3.11Å; D1200-K1203 VanDerWaalsContact O-CB 3.22Å; D1200-K1203 WeakPolarHBondContact O-CB 3.12Å; D1200-K1203 WeakPolarHBondContact O-CG 2.99Å; D1200-K1203 PolarHBondContact O-N 3.06Å; D1200-K1203 WeakPolarHBondContact OD1-CD 3.47Å; D1200-K1203 WeakPolarHBondContact OD1-CE 3.46Å; D1200-K1203 IonicContact OD1-NZ 2.73Å; D1200-K1203 PolarHBondContact OD1-NZ 3.37Å |
| 1201 | A | 91.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -14.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1197 L1198 K1203 D1204 A1213 | K1197-A1201 PolarHBondContact O-N 3.37Å; L1198-A1201 PolarHBondContact O-N 3.39Å; A1201-K1203 PolarHBondContact O-N 2.93Å; A1201-D1204 WeakPolarHBondContact O-CB 3.5Å; A1201-D1204 PolarHBondContact O-N 2.9Å; A1201-A1213 HydrophobicContact CB-CB 3.92Å |
| 1202 | H | 88.9 | Confident | 89.9 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 11% | 0.111 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.9 | 168.8 | -70.4 | 72.1 | 0 | 0 | 0 | 113.4 | L1198 L1199 D1200 D1204 A1213 E1214 A1247 | L1198-H1202 PolarHBondContact O-N 2.95Å; L1198-H1202 PolarHBondContact O-ND1 3.21Å; L1199-H1202 WeakPolarHBondContact O-CB 3.33Å; L1199-H1202 PolarHBondContact O-N 3.28Å; D1200-H1202 PolarHBondContact O-N 2.76Å; D1200-H1202 VanDerWaalsContact O-N 3.11Å; H1202-D1204 VanDerWaalsContact C-N 3.31Å; H1202-A1213 PolarHBondContact CE1-O 2.95Å; H1202-E1214 VanDerWaalsContact NE2-CA 3.3Å; H1202-E1214 WeakPolarHBondContact NE2-CA 3.29Å; H1202-E1214 PolarHBondContact NE2-N 2.97Å; H1202-A1247 HydrophobicContact CB-CB 3.84Å; H1202-A1247 WeakPolarHBondContact CD2-CB 3.38Å; H1202-A1247 VanDerWaalsContact CG-CB 3.42Å |
| 1203 | K | 87.4 | Confident | 90.1 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.7 | 171.1 | -54 | 177.8 | -172.8 | 163.4 | 0 | 113 | D1200 A1201 P1243 T1244 | D1200-K1203 VanDerWaalsContact O-CB 3.22Å; D1200-K1203 WeakPolarHBondContact O-CB 3.12Å; D1200-K1203 WeakPolarHBondContact O-CG 2.99Å; D1200-K1203 PolarHBondContact O-N 3.06Å; D1200-K1203 WeakPolarHBondContact OD1-CD 3.47Å; D1200-K1203 WeakPolarHBondContact OD1-CE 3.46Å; D1200-K1203 IonicContact OD1-NZ 2.73Å; D1200-K1203 PolarHBondContact OD1-NZ 3.37Å; A1201-K1203 PolarHBondContact O-N 2.93Å; K1203-P1243 HydrophobicContact CB-CG 4.17Å; K1203-P1243 HydrophobicContact CG-CG 3.86Å; K1203-T1244 HydrophobicContact CD-CG2 4.44Å; K1203-T1244 HydrophobicContact CG-CG2 4.27Å |
| 1204 | D | 90.6 | Very high | 90 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | trans | -58.9 | 134.8 | -175.5 | -159.2 | -68 | 0 | 0 | 0 | 111.4 | R1169 A1201 H1202 E1206 V1209 | R1169-D1204 IonicContact CZ-OD2 3.79Å; R1169-D1204 VanDerWaalsContact CZ-OD2 3.23Å; R1169-D1204 IonicContact NE-OD2 3.21Å; R1169-D1204 PolarHBondContact NE-OD2 3.34Å; R1169-D1204 IonicContact NH2-OD1 2.97Å; R1169-D1204 PolarHBondContact NH2-OD1 3.47Å; R1169-D1204 IonicContact NH2-OD2 2.6Å; R1169-D1204 PolarHBondContact NH2-OD2 3.04Å; A1201-D1204 WeakPolarHBondContact O-CB 3.5Å; A1201-D1204 PolarHBondContact O-N 2.9Å; H1202-D1204 VanDerWaalsContact C-N 3.31Å; D1204-E1206 PolarHBondContact O-N 3.19Å; D1204-E1206 WeakPolarHBondContact OD1-CB 3.42Å; D1204-E1206 PolarHBondContact OD1-N 3.43Å; D1204-V1209 HydrophobicContact CB-CB 3.88Å; D1204-V1209 HydrophobicContact CB-CG1 3.85Å; D1204-V1209 WeakPolarHBondContact OD2-CG1 3.45Å | ||
| 1205 | P | 85.5 | Confident | 90 | Very high | 115 Ų | 115 | 61 Ų | 61 | 75% | 0.747 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -61.2 | -27.3 | 175 | 25.3 | -35.5 | 0 | 0 | 0 | 113 | ||
| 1206 | E | 89.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 61 Ų | 61 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -88.3 | 122.9 | -179.1 | -71.9 | -57.5 | 155.6 | 0 | 0 | 113 | A1166 D1204 E1208 V1209 A1210 | A1166-E1206 HydrophobicContact CB-CB 4.18Å; A1166-E1206 HydrophobicContact CB-CG 3.76Å; D1204-E1206 PolarHBondContact O-N 3.19Å; D1204-E1206 WeakPolarHBondContact OD1-CB 3.42Å; D1204-E1206 PolarHBondContact OD1-N 3.43Å; E1206-E1208 PolarHBondContact O-N 3.19Å; E1206-V1209 HydrophobicContact CB-CG2 4.09Å; E1206-V1209 PolarHBondContact O-N 3.37Å; E1206-V1209 VanDerWaalsContact O-N 3.17Å; E1206-A1210 PolarHBondContact O-N 3.12Å; E1206-A1210 VanDerWaalsContact O-N 3.12Å |
| 1207 | R | 88.5 | Confident | 90.2 | Very high | 216 Ų | 216 | 56.9 Ų | 56.9 | 82% | 0.815 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.3 | -25.4 | -173 | -66.1 | -177.9 | -178.5 | 169.9 | 2 | 113.7 | R1211 | R1207-R1211 VanDerWaalsContact O-CB 3.27Å; R1207-R1211 WeakPolarHBondContact O-CB 3.5Å; R1207-R1211 PolarHBondContact O-N 3.47Å |
| 1208 | E | 87.3 | Confident | 90.1 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73 | -36.9 | 177.3 | -63.6 | -166.1 | 164.8 | 0 | 0 | 111.4 | S215 E1206 S1212 | S215-E1208 WeakPolarHBondContact CB-OE1 3.31Å; S215-E1208 PolarHBondContact OG-OE1 2.96Å; E1206-E1208 PolarHBondContact O-N 3.19Å; E1208-S1212 VanDerWaalsContact O-CB 3.28Å; E1208-S1212 WeakPolarHBondContact O-CB 3.29Å; E1208-S1212 PolarHBondContact O-N 2.99Å; E1208-S1212 PolarHBondContact O-OG 3.38Å |
| 1209 | V | 92 | Very high | 89.9 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -52.4 | 171 | -173 | 0 | 0 | 0 | 0 | 109.7 | A1166 R1169 A1170 L1173 D1204 E1206 R1211 S1212 A1213 | A1166-V1209 HydrophobicContact CB-CG2 4.46Å; A1166-V1209 WeakPolarHBondContact O-CG2 3.44Å; R1169-V1209 HydrophobicContact CB-CG1 4.16Å; R1169-V1209 HydrophobicContact CB-CG2 4.1Å; A1170-V1209 HydrophobicContact CB-CG2 3.98Å; L1173-V1209 HydrophobicContact CD1-CG1 3.69Å; L1173-V1209 WeakPolarHBondContact CD1-O 3.49Å; D1204-V1209 HydrophobicContact CB-CB 3.88Å; D1204-V1209 HydrophobicContact CB-CG1 3.85Å; D1204-V1209 WeakPolarHBondContact OD2-CG1 3.45Å; E1206-V1209 HydrophobicContact CB-CG2 4.09Å; E1206-V1209 PolarHBondContact O-N 3.37Å; E1206-V1209 VanDerWaalsContact O-N 3.17Å; V1209-R1211 VanDerWaalsContact C-N 3.33Å; V1209-R1211 PolarHBondContact O-N 3.31Å; V1209-S1212 PolarHBondContact O-N 3.42Å; V1209-S1212 VanDerWaalsContact O-N 3.11Å; V1209-A1213 WeakPolarHBondContact O-CB 3.36Å; V1209-A1213 PolarHBondContact O-N 2.93Å |
| 1210 | A | 90.1 | Very high | 89.8 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -37.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1206 E1214 | E1206-A1210 PolarHBondContact O-N 3.12Å; E1206-A1210 VanDerWaalsContact O-N 3.12Å; A1210-E1214 PolarHBondContact O-N 2.98Å |
| 1211 | R | 89.8 | Confident | 89.9 | Confident | 169 Ų | 169 | 53 Ų | 53 | 64% | 0.638 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.1 | -45.9 | 172.5 | 176.5 | -177.6 | -78.9 | 153.2 | -9.7 | 111.6 | R1207 V1209 A1213 E1214 D1215 | R1207-R1211 VanDerWaalsContact O-CB 3.27Å; R1207-R1211 WeakPolarHBondContact O-CB 3.5Å; R1207-R1211 PolarHBondContact O-N 3.47Å; V1209-R1211 VanDerWaalsContact C-N 3.33Å; V1209-R1211 PolarHBondContact O-N 3.31Å; R1211-A1213 PolarHBondContact O-N 2.89Å; R1211-E1214 WeakPolarHBondContact O-CB 3.29Å; R1211-E1214 PolarHBondContact O-N 3.37Å; R1211-E1214 VanDerWaalsContact O-N 3.12Å; R1211-D1215 PolarHBondContact O-N 3.13Å |
| 1212 | S | 91.9 | Very high | 89.7 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | E1208 V1209 C1216 | E1208-S1212 VanDerWaalsContact O-CB 3.28Å; E1208-S1212 WeakPolarHBondContact O-CB 3.29Å; E1208-S1212 PolarHBondContact O-N 2.99Å; E1208-S1212 PolarHBondContact O-OG 3.38Å; V1209-S1212 PolarHBondContact O-N 3.42Å; V1209-S1212 VanDerWaalsContact O-N 3.11Å; S1212-C1216 WeakPolarHBondContact O-CB 3.47Å; S1212-C1216 PolarHBondContact O-N 3.36Å |
| 1213 | A | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.3 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1173 A1201 H1202 V1209 R1211 C1216 A1217 | L1173-A1213 HydrophobicContact CD1-CB 4Å; L1173-A1213 HydrophobicContact CD2-CB 4.25Å; A1201-A1213 HydrophobicContact CB-CB 3.92Å; H1202-A1213 PolarHBondContact CE1-O 2.95Å; V1209-A1213 WeakPolarHBondContact O-CB 3.36Å; V1209-A1213 PolarHBondContact O-N 2.93Å; R1211-A1213 PolarHBondContact O-N 2.89Å; A1213-C1216 PolarHBondContact O-N 2.96Å; A1213-A1217 VanDerWaalsContact O-CB 3.25Å; A1213-A1217 WeakPolarHBondContact O-CB 3.45Å; A1213-A1217 PolarHBondContact O-N 3.49Å |
| 1214 | E | 89.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 173.7 | -174.1 | 171.8 | 160.4 | 0 | 0 | 111.6 | H1202 A1210 R1211 C1216 A1217 T1218 K1250 | H1202-E1214 VanDerWaalsContact NE2-CA 3.3Å; H1202-E1214 WeakPolarHBondContact NE2-CA 3.29Å; H1202-E1214 PolarHBondContact NE2-N 2.97Å; A1210-E1214 PolarHBondContact O-N 2.98Å; R1211-E1214 WeakPolarHBondContact O-CB 3.29Å; R1211-E1214 PolarHBondContact O-N 3.37Å; R1211-E1214 VanDerWaalsContact O-N 3.12Å; E1214-C1216 VanDerWaalsContact C-N 3.33Å; E1214-C1216 PolarHBondContact O-N 2.89Å; E1214-A1217 PolarHBondContact O-N 3.49Å; E1214-T1218 VanDerWaalsContact O-CB 3.27Å; E1214-T1218 WeakPolarHBondContact O-CB 3.27Å; E1214-T1218 PolarHBondContact O-N 3.44Å; E1214-T1218 PolarHBondContact O-OG1 3.46Å; E1214-K1250 HydrophobicContact CG-CD 4.37Å; E1214-K1250 WeakPolarHBondContact OE1-CD 3.42Å; E1214-K1250 IonicContact OE1-NZ 3.98Å; E1214-K1250 PolarHBondContact OE1-NZ 3.02Å; E1214-K1250 IonicContact OE2-NZ 3.72Å; E1214-K1250 PolarHBondContact OE2-NZ 3.3Å |
| 1215 | D | 90.4 | Very high | 89.4 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -31 | 177.8 | -72.1 | -22.8 | 0 | 0 | 0 | 112.8 | R1211 | R1211-D1215 PolarHBondContact O-N 3.13Å |
| 1216 | C | 93.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -50.2 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | K1177 L1198 S1212 A1213 E1214 T1218 V1219 L1220 | K1177-C1216 HydrophobicContact CB-CB 4.31Å; L1198-C1216 HydrophobicContact CD2-CB 4.04Å; S1212-C1216 WeakPolarHBondContact O-CB 3.47Å; S1212-C1216 PolarHBondContact O-N 3.36Å; A1213-C1216 PolarHBondContact O-N 2.96Å; E1214-C1216 VanDerWaalsContact C-N 3.33Å; E1214-C1216 PolarHBondContact O-N 2.89Å; C1216-T1218 VanDerWaalsContact C-N 3.3Å; C1216-T1218 PolarHBondContact O-N 2.88Å; C1216-V1219 PolarHBondContact O-N 3.28Å; C1216-L1220 WeakPolarHBondContact O-CB 3.34Å; C1216-L1220 PolarHBondContact O-N 3.47Å |
| 1217 | A | 91.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1213 E1214 V1219 L1220 A1221 M1251 | A1213-A1217 VanDerWaalsContact O-CB 3.25Å; A1213-A1217 WeakPolarHBondContact O-CB 3.45Å; A1213-A1217 PolarHBondContact O-N 3.49Å; E1214-A1217 PolarHBondContact O-N 3.49Å; A1217-V1219 VanDerWaalsContact C-N 3.32Å; A1217-V1219 PolarHBondContact O-N 3.04Å; A1217-L1220 PolarHBondContact O-N 3.22Å; A1217-A1221 WeakPolarHBondContact O-CB 3.28Å; A1217-A1221 PolarHBondContact O-N 2.99Å; A1217-M1251 HydrophobicContact CB-SD 4.17Å |
| 1218 | T | 89.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | E1214 C1216 R1254 | E1214-T1218 VanDerWaalsContact O-CB 3.27Å; E1214-T1218 WeakPolarHBondContact O-CB 3.27Å; E1214-T1218 PolarHBondContact O-N 3.44Å; E1214-T1218 PolarHBondContact O-OG1 3.46Å; C1216-T1218 VanDerWaalsContact C-N 3.3Å; C1216-T1218 PolarHBondContact O-N 2.88Å; T1218-R1254 HydrophobicContact CG2-CG 4.19Å |
| 1219 | V | 87.9 | Confident | 89.7 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -83.9 | -38.2 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | K1177 C1216 A1217 A1221 T1222 H1223 | K1177-V1219 HydrophobicContact CD-CB 4.47Å; K1177-V1219 HydrophobicContact CD-CG2 4.46Å; K1177-V1219 HydrophobicContact CG-CB 4.43Å; K1177-V1219 HydrophobicContact CG-CG1 4.34Å; C1216-V1219 PolarHBondContact O-N 3.28Å; A1217-V1219 VanDerWaalsContact C-N 3.32Å; A1217-V1219 PolarHBondContact O-N 3.04Å; V1219-A1221 PolarHBondContact O-N 3.19Å; V1219-T1222 PolarHBondContact O-N 3.38Å; V1219-T1222 PolarHBondContact O-OG1 2.64Å; V1219-H1223 PolarHBondContact O-CD2 3.17Å; V1219-H1223 VanDerWaalsContact O-CD2 3.28Å |
| 1220 | L | 88.9 | Confident | 89.7 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -34.2 | 173 | -91.9 | 162.1 | 0 | 0 | 0 | 113.1 | C1180 T1194 L1198 C1216 A1217 T1222 H1223 L1224 M1251 | C1180-L1220 HydrophobicContact CB-CD2 3.43Å; C1180-L1220 VanDerWaalsContact CB-CD2 3.43Å; C1180-L1220 HydrophobicContact CB-CG 4.08Å; T1194-L1220 HydrophobicContact CG2-CD1 4.22Å; L1198-L1220 HydrophobicContact CD1-CD1 3.16Å; C1216-L1220 WeakPolarHBondContact O-CB 3.34Å; C1216-L1220 PolarHBondContact O-N 3.47Å; A1217-L1220 PolarHBondContact O-N 3.22Å; L1220-T1222 PolarHBondContact O-N 3.42Å; L1220-T1222 VanDerWaalsContact O-N 3.17Å; L1220-H1223 PolarHBondContact O-N 2.85Å; L1220-H1223 VanDerWaalsContact O-N 3.13Å; L1220-L1224 HydrophobicContact CB-CD1 4.41Å; L1220-L1224 HydrophobicContact CD2-CD1 3.92Å; L1220-L1224 HydrophobicContact CD2-CD2 4.34Å; L1220-L1224 HydrophobicContact CD2-CG 3.91Å; L1220-L1224 WeakPolarHBondContact O-CB 3.45Å; L1220-L1224 WeakPolarHBondContact O-CG 3.33Å; L1220-L1224 PolarHBondContact O-N 3.05Å; L1220-M1251 HydrophobicContact CB-CE 4.29Å |
| 1221 | A | 89.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -8.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1217 V1219 M1251 R1254 V1255 N1258 | A1217-A1221 WeakPolarHBondContact O-CB 3.28Å; A1217-A1221 PolarHBondContact O-N 2.99Å; V1219-A1221 PolarHBondContact O-N 3.19Å; A1221-M1251 HydrophobicContact CB-CE 4.17Å; A1221-M1251 HydrophobicContact CB-CG 4.04Å; A1221-R1254 HydrophobicContact CB-CB 3.95Å; A1221-R1254 HydrophobicContact CB-CG 4.14Å; A1221-V1255 HydrophobicContact CB-CG2 3.75Å; A1221-N1258 PolarHBondContact O-ND2 3.41Å |
| 1222 | T | 88.2 | Confident | 89.7 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -100.3 | -11.9 | 172.4 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | V1219 L1220 N1258 | V1219-T1222 PolarHBondContact O-N 3.38Å; V1219-T1222 PolarHBondContact O-OG1 2.64Å; L1220-T1222 PolarHBondContact O-N 3.42Å; L1220-T1222 VanDerWaalsContact O-N 3.17Å; T1222-N1258 WeakPolarHBondContact CG2-ND2 3.49Å |
| 1223 | H | 86.8 | Confident | 89.7 | Confident | 72 Ų | 72 | 35.1 Ų | 35.1 | 33% | 0.333 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -118.3 | -19.1 | -175.4 | -66 | -71 | 0 | 0 | 0 | 114.3 | P1184 V1219 L1220 | P1184-H1223 HydrophobicContact CB-CB 4.31Å; V1219-H1223 PolarHBondContact O-CD2 3.17Å; V1219-H1223 VanDerWaalsContact O-CD2 3.28Å; L1220-H1223 PolarHBondContact O-N 2.85Å; L1220-H1223 VanDerWaalsContact O-N 3.13Å |
| 1224 | L | 86.6 | Confident | 89.6 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -88.2 | 146.2 | 175.6 | -67.9 | -179.6 | 0 | 0 | 0 | 112.2 | I1187 A1191 I1195 L1220 C1229 | I1187-L1224 HydrophobicContact CG1-CD2 4.25Å; I1187-L1224 HydrophobicContact CG2-CD2 3.63Å; A1191-L1224 HydrophobicContact CB-CD1 4.13Å; A1191-L1224 HydrophobicContact CB-CD2 3.93Å; I1195-L1224 HydrophobicContact CD1-CD1 3.89Å; I1195-L1224 HydrophobicContact CG1-CD1 4.02Å; L1220-L1224 HydrophobicContact CB-CD1 4.41Å; L1220-L1224 HydrophobicContact CD2-CD1 3.92Å; L1220-L1224 HydrophobicContact CD2-CD2 4.34Å; L1220-L1224 HydrophobicContact CD2-CG 3.91Å; L1220-L1224 WeakPolarHBondContact O-CB 3.45Å; L1220-L1224 WeakPolarHBondContact O-CG 3.33Å; L1220-L1224 PolarHBondContact O-N 3.05Å; L1224-C1229 VanDerWaalsContact CB-SG 3.55Å |
| 1225 | P | 86.3 | Confident | 89.6 | Confident | 32 Ų | 32 | 35.5 Ų | 35.5 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | trans | -59.6 | 126.7 | 175.2 | -23.9 | 34 | 0 | 0 | 0 | 112.1 | R1188 L1227 V1228 C1229 | R1188-P1225 HydrophobicContact CG-CG 4.2Å; P1225-L1227 VanDerWaalsContact C-N 3.34Å; P1225-L1227 PolarHBondContact O-N 3.11Å; P1225-V1228 HydrophobicContact CB-CB 4.47Å; P1225-V1228 HydrophobicContact CB-CG2 4.06Å; P1225-V1228 HydrophobicContact CG-CG2 4.46Å; P1225-V1228 WeakPolarHBondContact O-CB 3.35Å; P1225-V1228 PolarHBondContact O-N 3.2Å; P1225-C1229 PolarHBondContact O-N 2.87Å | ||
| 1226 | P | 88.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 20% | 0.195 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.7 | -42.3 | -172.9 | -32.1 | 37.3 | 0 | 0 | 0 | 115.4 | V1228 C1229 F1230 V1255 M1259 | P1226-V1228 VanDerWaalsContact C-N 3.3Å; P1226-V1228 PolarHBondContact O-N 3.46Å; P1226-C1229 WeakPolarHBondContact O-CB 3.22Å; P1226-C1229 PolarHBondContact O-N 2.79Å; P1226-F1230 WeakPolarHBondContact O-CD2 3.42Å; P1226-F1230 PolarHBondContact O-N 2.86Å; P1226-V1255 HydrophobicContact CB-CG1 3.63Å; P1226-V1255 HydrophobicContact CG-CG1 4.31Å; P1226-M1259 HydrophobicContact CB-CB 3.86Å; P1226-M1259 HydrophobicContact CB-CG 3.64Å; P1226-M1259 HydrophobicContact CB-SD 3.41Å; P1226-M1259 WeakPolarHBondContact CB-SD 3.44Å; P1226-M1259 HydrophobicContact CG-CB 3.91Å; P1226-M1259 HydrophobicContact CG-CG 3.96Å; P1226-M1259 HydrophobicContact CG-SD 4.38Å |
| 1227 | L | 88.8 | Confident | 89.3 | Confident | 91 Ų | 91 | 32.7 Ų | 32.7 | 48% | 0.476 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -37.9 | 177.6 | -66.8 | 169.2 | 0 | 0 | 0 | 112.8 | P1225 F1230 R1231 I1267 | P1225-L1227 VanDerWaalsContact C-N 3.34Å; P1225-L1227 PolarHBondContact O-N 3.11Å; L1227-F1230 PolarHBondContact O-N 2.87Å; L1227-R1231 PolarHBondContact O-N 3.46Å; L1227-R1231 VanDerWaalsContact O-N 3.12Å; L1227-I1267 HydrophobicContact CD2-CD1 3.63Å; L1227-I1267 HydrophobicContact CD2-CG1 4.3Å |
| 1228 | V | 89.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | A1191 P1225 P1226 | A1191-V1228 HydrophobicContact CB-CG1 3.68Å; P1225-V1228 HydrophobicContact CB-CB 4.47Å; P1225-V1228 HydrophobicContact CB-CG2 4.06Å; P1225-V1228 HydrophobicContact CG-CG2 4.46Å; P1225-V1228 WeakPolarHBondContact O-CB 3.35Å; P1225-V1228 PolarHBondContact O-N 3.2Å; P1226-V1228 VanDerWaalsContact C-N 3.3Å; P1226-V1228 PolarHBondContact O-N 3.46Å |
| 1229 | C | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 172.9 | -61.4 | 0 | 0 | 0 | 0 | 112 | I1195 L1224 P1225 P1226 R1231 V1232 L1233 V1255 | I1195-C1229 HydrophobicContact CD1-CB 4.27Å; L1224-C1229 VanDerWaalsContact CB-SG 3.55Å; P1225-C1229 PolarHBondContact O-N 2.87Å; P1226-C1229 WeakPolarHBondContact O-CB 3.22Å; P1226-C1229 PolarHBondContact O-N 2.79Å; C1229-R1231 VanDerWaalsContact C-N 3.34Å; C1229-R1231 PolarHBondContact O-N 3.03Å; C1229-V1232 PolarHBondContact O-N 3.36Å; C1229-L1233 HydrophobicContact CB-CD1 4.05Å; C1229-L1233 WeakPolarHBondContact O-CB 3.49Å; C1229-L1233 VanDerWaalsContact O-CG 3.24Å; C1229-L1233 WeakPolarHBondContact O-CG 3.23Å; C1229-L1233 PolarHBondContact O-N 3Å; C1229-V1255 HydrophobicContact CB-CG1 4.25Å; C1229-V1255 HydrophobicContact CB-CG2 3.82Å |
| 1230 | F | 92.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -32.3 | -178.8 | -77.2 | -61.3 | 0 | 0 | 0 | 114 | P1226 L1227 V1232 L1233 I1234 A1252 V1255 V1256 M1259 I1267 L1271 | P1226-F1230 WeakPolarHBondContact O-CD2 3.42Å; P1226-F1230 PolarHBondContact O-N 2.86Å; L1227-F1230 PolarHBondContact O-N 2.87Å; F1230-V1232 PolarHBondContact O-N 3.42Å; F1230-L1233 PolarHBondContact O-N 3.35Å; F1230-I1234 HydrophobicContact CB-CD1 3.98Å; F1230-I1234 HydrophobicContact CB-CG1 4.35Å; F1230-I1234 HydrophobicContact CD1-CD1 4.34Å; F1230-I1234 HydrophobicContact CD1-CG1 4.21Å; F1230-I1234 HydrophobicContact CG-CD1 4.5Å; F1230-I1234 WeakPolarHBondContact O-CB 3.28Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.34Å; F1230-I1234 PolarHBondContact O-N 3.08Å; F1230-A1252 HydrophobicContact CE1-CB 4.15Å; F1230-V1255 HydrophobicContact CD2-CG1 4.03Å; F1230-V1255 HydrophobicContact CE2-CB 4.14Å; F1230-V1255 HydrophobicContact CE2-CG1 3.37Å; F1230-V1255 HydrophobicContact CZ-CB 4.02Å; F1230-V1255 HydrophobicContact CZ-CG1 3.78Å; F1230-V1256 HydrophobicContact CZ-CG2 3.88Å; F1230-M1259 HydrophobicContact CD2-CE 4.14Å; F1230-M1259 HydrophobicContact CD2-SD 4.14Å; F1230-M1259 HydrophobicContact CE2-CE 3.38Å; F1230-M1259 HydrophobicContact CE2-SD 3.79Å; F1230-M1259 HydrophobicContact CZ-CE 4.13Å; F1230-I1267 HydrophobicContact CB-CG2 4.37Å; F1230-I1267 HydrophobicContact CD2-CD1 3.73Å; F1230-I1267 HydrophobicContact CD2-CG2 4.46Å; F1230-I1267 HydrophobicContact CE2-CD1 4.34Å; F1230-I1267 HydrophobicContact CG-CD1 4.33Å; F1230-I1267 HydrophobicContact CG-CG2 4.19Å; F1230-L1271 HydrophobicContact CD1-CD1 4.1Å; F1230-L1271 HydrophobicContact CD1-CD2 4.27Å; F1230-L1271 HydrophobicContact CE1-CD1 3.9Å; F1230-L1271 HydrophobicContact CE1-CD2 3.61Å; F1230-L1271 HydrophobicContact CE1-CG 4.38Å; F1230-L1271 HydrophobicContact CZ-CD2 4.07Å |
| 1231 | R | 89.9 | Confident | 86.3 | Confident | 166 Ų | 166 | 48.6 Ų | 48.6 | 63% | 0.626 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -57.2 | -29.1 | 173.9 | -168 | 164 | 69.5 | -161.6 | 4.8 | 113 | E1192 L1227 C1229 P1235 | E1192-R1231 IonicContact OE1-CZ 2.98Å; E1192-R1231 IonicContact OE1-NE 3.47Å; E1192-R1231 PolarHBondContact OE1-NE 3.3Å; E1192-R1231 IonicContact OE1-NH2 3.42Å; E1192-R1231 PolarHBondContact OE1-NH2 2.89Å; L1227-R1231 PolarHBondContact O-N 3.46Å; L1227-R1231 VanDerWaalsContact O-N 3.12Å; C1229-R1231 VanDerWaalsContact C-N 3.34Å; C1229-R1231 PolarHBondContact O-N 3.03Å; R1231-P1235 WeakPolarHBondContact O-CD 3.29Å |
| 1232 | V | 90.1 | Very high | 85.1 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -92.1 | -44.1 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 112 | E1192 I1195 L1196 C1229 F1230 P1235 V1236 | E1192-V1232 HydrophobicContact CB-CG2 3.87Å; E1192-V1232 HydrophobicContact CG-CG2 3.74Å; I1195-V1232 HydrophobicContact CB-CG1 4.19Å; I1195-V1232 HydrophobicContact CD1-CG2 4.36Å; I1195-V1232 HydrophobicContact CG2-CB 4.12Å; I1195-V1232 HydrophobicContact CG2-CG1 3.65Å; L1196-V1232 HydrophobicContact CD2-CG1 3.72Å; L1196-V1232 HydrophobicContact CG-CG1 3.8Å; C1229-V1232 PolarHBondContact O-N 3.36Å; F1230-V1232 PolarHBondContact O-N 3.42Å; V1232-P1235 WeakPolarHBondContact O-CD 3.47Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.5Å |
| 1233 | L | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.9 | -34.9 | -171.9 | -68.3 | 168.2 | 0 | 0 | 0 | 113.1 | I1195 L1199 C1229 F1230 V1236 I1237 A1248 M1251 A1252 V1255 | I1195-L1233 HydrophobicContact CG2-CD2 4.45Å; L1199-L1233 HydrophobicContact CD1-CD2 4.01Å; C1229-L1233 HydrophobicContact CB-CD1 4.05Å; C1229-L1233 WeakPolarHBondContact O-CB 3.49Å; C1229-L1233 VanDerWaalsContact O-CG 3.24Å; C1229-L1233 WeakPolarHBondContact O-CG 3.23Å; C1229-L1233 PolarHBondContact O-N 3Å; F1230-L1233 PolarHBondContact O-N 3.35Å; L1233-V1236 PolarHBondContact O-N 3.31Å; L1233-I1237 HydrophobicContact CB-CD1 4.46Å; L1233-I1237 WeakPolarHBondContact O-CB 3.35Å; L1233-I1237 WeakPolarHBondContact O-CD1 3.39Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.35Å; L1233-I1237 PolarHBondContact O-N 3.5Å; L1233-A1248 HydrophobicContact CD2-CB 3.87Å; L1233-M1251 HydrophobicContact CD1-CB 4.4Å; L1233-M1251 HydrophobicContact CD1-CG 4.22Å; L1233-M1251 HydrophobicContact CD1-SD 4.48Å; L1233-M1251 HydrophobicContact CD2-CB 4.19Å; L1233-M1251 HydrophobicContact CD2-CG 4.47Å; L1233-M1251 HydrophobicContact CD2-SD 4.23Å; L1233-A1252 HydrophobicContact CD1-CB 4.22Å; L1233-V1255 HydrophobicContact CD1-CG2 4.35Å |
| 1234 | I | 91.5 | Very high | 84.2 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | -178.5 | -69 | 171.9 | 0 | 0 | 0 | 111.9 | F1230 I1237 R1238 I1267 E1270 L1271 | F1230-I1234 HydrophobicContact CB-CD1 3.98Å; F1230-I1234 HydrophobicContact CB-CG1 4.35Å; F1230-I1234 HydrophobicContact CD1-CD1 4.34Å; F1230-I1234 HydrophobicContact CD1-CG1 4.21Å; F1230-I1234 HydrophobicContact CG-CD1 4.5Å; F1230-I1234 WeakPolarHBondContact O-CB 3.28Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.34Å; F1230-I1234 PolarHBondContact O-N 3.08Å; I1234-I1237 PolarHBondContact O-N 2.88Å; I1234-R1238 WeakPolarHBondContact O-CG 3.34Å; I1234-R1238 PolarHBondContact O-N 2.9Å; I1234-R1238 VanDerWaalsContact O-N 3.13Å; I1234-I1267 HydrophobicContact CD1-CG2 3.66Å; I1234-E1270 HydrophobicContact CD1-CB 4.08Å; I1234-E1270 HydrophobicContact CG2-CB 4.41Å; I1234-L1271 HydrophobicContact CD1-CB 4.3Å; I1234-L1271 HydrophobicContact CG1-CB 4.46Å; I1234-L1271 HydrophobicContact CG1-CD1 4.08Å |
| 1235 | P | 89.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 40% | 0.403 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.4 | -51.1 | 170.5 | -28.2 | 35.2 | 0 | 0 | 0 | 113.1 | R1231 V1232 I1237 R1238 D1239 | R1231-P1235 WeakPolarHBondContact O-CD 3.29Å; V1232-P1235 WeakPolarHBondContact O-CD 3.47Å; P1235-I1237 VanDerWaalsContact C-N 3.28Å; P1235-I1237 PolarHBondContact O-N 3.36Å; P1235-R1238 WeakPolarHBondContact O-CA 3.22Å; P1235-R1238 WeakPolarHBondContact O-CB 3.48Å; P1235-R1238 PolarHBondContact O-N 3.13Å; P1235-D1239 PolarHBondContact O-N 3.1Å |
| 1236 | V | 87.7 | Confident | 84.3 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -34.8 | -178.3 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | L1196 L1199 V1232 L1233 R1238 A1248 | L1196-V1236 HydrophobicContact CD2-CG2 4.28Å; L1199-V1236 HydrophobicContact CD1-CG1 4.35Å; L1199-V1236 HydrophobicContact CD1-CG2 4.32Å; V1232-V1236 WeakPolarHBondContact O-CG2 3.5Å; L1233-V1236 PolarHBondContact O-N 3.31Å; V1236-R1238 VanDerWaalsContact C-N 3.33Å; V1236-A1248 HydrophobicContact CB-CB 4.35Å; V1236-A1248 HydrophobicContact CG1-CB 3.81Å |
| 1237 | I | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -30.2 | 174.9 | -70.8 | 166.5 | 0 | 0 | 0 | 111.6 | L1233 I1234 P1235 A1248 I1249 A1252 L1271 V1278 | L1233-I1237 HydrophobicContact CB-CD1 4.46Å; L1233-I1237 WeakPolarHBondContact O-CB 3.35Å; L1233-I1237 WeakPolarHBondContact O-CD1 3.39Å; L1233-I1237 WeakPolarHBondContact O-CG1 3.35Å; L1233-I1237 PolarHBondContact O-N 3.5Å; I1234-I1237 PolarHBondContact O-N 2.88Å; P1235-I1237 VanDerWaalsContact C-N 3.28Å; P1235-I1237 PolarHBondContact O-N 3.36Å; I1237-A1248 HydrophobicContact CG1-CB 3.95Å; I1237-I1249 HydrophobicContact CD1-CG1 4.37Å; I1237-I1249 HydrophobicContact CG1-CG1 4.13Å; I1237-A1252 HydrophobicContact CD1-CB 4.08Å; I1237-L1271 HydrophobicContact CD1-CD1 4.18Å; I1237-V1278 VanDerWaalsContact O-CB 3.31Å; I1237-V1278 WeakPolarHBondContact O-CB 3.37Å; I1237-V1278 VanDerWaalsContact O-CG1 3.26Å; I1237-V1278 WeakPolarHBondContact O-CG1 3.46Å; I1237-V1278 WeakPolarHBondContact O-CG2 3.49Å |
| 1238 | R | 85.2 | Confident | 84.4 | Confident | 123 Ų | 123 | 42 Ų | 42 | 46% | 0.464 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -78.5 | -35.4 | 177.9 | -70.7 | 175.5 | -177.8 | -176.8 | 4.6 | 112.7 | I1234 P1235 V1236 N1240 E1270 | I1234-R1238 WeakPolarHBondContact O-CG 3.34Å; I1234-R1238 PolarHBondContact O-N 2.9Å; I1234-R1238 VanDerWaalsContact O-N 3.13Å; P1235-R1238 WeakPolarHBondContact O-CA 3.22Å; P1235-R1238 WeakPolarHBondContact O-CB 3.48Å; P1235-R1238 PolarHBondContact O-N 3.13Å; V1236-R1238 VanDerWaalsContact C-N 3.33Å; R1238-N1240 VanDerWaalsContact C-N 3.25Å; R1238-N1240 PolarHBondContact O-N 3.47Å; R1238-E1270 VanDerWaalsContact NH2-CA 3.32Å; R1238-E1270 PolarHBondContact NH2-O 3.26Å |
| 1239 | D | 78.7 | Confident | 84.5 | Confident | 110 Ų | 110 | 40.9 Ų | 40.9 | 59% | 0.588 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -75.6 | -2.7 | -174.7 | -68.7 | -15 | 0 | 0 | 0 | 115.1 | P1235 N1241 | P1235-D1239 PolarHBondContact O-N 3.1Å; D1239-N1241 PolarHBondContact O-N 3.29Å |
| 1240 | N | 66.7 | Low | 84.5 | Confident | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | 56.4 | 21.1 | 169.1 | -162 | 20.5 | 0 | 0 | 0 | 117.2 | R1238 S1242 V1278 | R1238-N1240 VanDerWaalsContact C-N 3.25Å; R1238-N1240 PolarHBondContact O-N 3.47Å; N1240-S1242 PolarHBondContact O-N 3.13Å; N1240-V1278 HydrophobicContact CB-CG1 3.42Å; N1240-V1278 VanDerWaalsContact CB-CG1 3.42Å; N1240-V1278 VanDerWaalsContact CG-CG1 3.41Å; N1240-V1278 WeakPolarHBondContact OD1-CG1 3.42Å | ||
| 1241 | N | 65.9 | Low | 84.5 | Confident | 104 Ų | 104 | 44 Ų | 44 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | trans | -81.1 | 103.5 | 178.2 | -73.8 | -46.9 | 0 | 0 | 0 | 111 | D1239 T1244 L1245 | D1239-N1241 PolarHBondContact O-N 3.29Å; N1241-T1244 CarbonylContact O-C 3.6Å; N1241-T1244 WeakPolarHBondContact O-CB 3.47Å; N1241-T1244 PolarHBondContact O-N 3.33Å; N1241-T1244 PolarHBondContact O-OG1 3.37Å; N1241-L1245 PolarHBondContact O-N 2.72Å | ||
| 1242 | S | 63.8 | Low | 84.7 | Confident | 49 Ų | 49 | 36.1 Ų | 36.1 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 139.1 | 166.9 | -158.9 | 0 | 0 | 0 | 0 | 110.3 | N1240 E1285 | N1240-S1242 PolarHBondContact O-N 3.13Å; S1242-E1285 WeakPolarHBondContact CB-OE1 3.46Å; S1242-E1285 VanDerWaalsContact OG-CD 3.28Å; S1242-E1285 PolarHBondContact OG-OE1 2.97Å |
| 1243 | P | 70.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 36.7 Ų | 36.7 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87 | -8.7 | 10.9 | 33.8 | -36.1 | 0 | 0 | 0 | 116.2 | K1203 L1245 L1246 A1247 | K1203-P1243 HydrophobicContact CB-CG 4.17Å; K1203-P1243 HydrophobicContact CG-CG 3.86Å; P1243-L1245 PolarHBondContact O-N 2.88Å; P1243-L1246 WeakPolarHBondContact O-CB 3.44Å; P1243-L1246 PolarHBondContact O-N 2.95Å; P1243-A1247 PolarHBondContact O-N 3.15Å |
| 1244 | T | 85 | Confident | 85 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54 | -35.8 | 179.5 | 20 | 0 | 0 | 0 | 0 | 113.7 | L1199 K1203 N1241 L1246 A1247 A1248 | L1199-T1244 HydrophobicContact CB-CG2 4.12Å; L1199-T1244 WeakPolarHBondContact O-CG2 3.4Å; K1203-T1244 HydrophobicContact CD-CG2 4.44Å; K1203-T1244 HydrophobicContact CG-CG2 4.27Å; N1241-T1244 CarbonylContact O-C 3.6Å; N1241-T1244 WeakPolarHBondContact O-CB 3.47Å; N1241-T1244 PolarHBondContact O-N 3.33Å; N1241-T1244 PolarHBondContact O-OG1 3.37Å; T1244-L1246 VanDerWaalsContact C-N 3.34Å; T1244-L1246 PolarHBondContact O-N 2.83Å; T1244-A1247 PolarHBondContact O-N 3.09Å; T1244-A1248 WeakPolarHBondContact O-CB 3.34Å; T1244-A1248 PolarHBondContact O-N 3.48Å |
| 1245 | L | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.5 | -41.9 | 175.9 | 178.9 | 65.3 | 0 | 0 | 0 | 112.8 | N1241 P1243 I1249 V1278 V1288 | N1241-L1245 PolarHBondContact O-N 2.72Å; P1243-L1245 PolarHBondContact O-N 2.88Å; L1245-I1249 HydrophobicContact CD1-CD1 3.78Å; L1245-I1249 HydrophobicContact CD1-CG1 4.31Å; L1245-I1249 HydrophobicContact CG-CD1 3.91Å; L1245-I1249 WeakPolarHBondContact O-CD1 3.5Å; L1245-I1249 VanDerWaalsContact O-CG1 3.24Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.48Å; L1245-I1249 PolarHBondContact O-N 2.87Å; L1245-V1278 HydrophobicContact CD1-CG1 3.89Å; L1245-V1278 HydrophobicContact CD2-CG1 3.86Å; L1245-V1288 HydrophobicContact CD2-CG1 3.73Å; L1245-V1288 HydrophobicContact CD2-CG2 4.4Å; L1245-V1288 HydrophobicContact CG-CG1 4.13Å |
| 1246 | L | 88 | Confident | 85.2 | Confident | 35 Ų | 35 | 37.2 Ų | 37.2 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 179.2 | 178.5 | 61.8 | 0 | 0 | 0 | 110.9 | P1243 T1244 I1249 K1250 V1288 A1291 | P1243-L1246 WeakPolarHBondContact O-CB 3.44Å; P1243-L1246 PolarHBondContact O-N 2.95Å; T1244-L1246 VanDerWaalsContact C-N 3.34Å; T1244-L1246 PolarHBondContact O-N 2.83Å; L1246-I1249 PolarHBondContact O-N 3.33Å; L1246-K1250 WeakPolarHBondContact O-CG 3.46Å; L1246-K1250 PolarHBondContact O-N 2.7Å; L1246-V1288 HydrophobicContact CB-CG2 4.15Å; L1246-V1288 HydrophobicContact CD1-CG2 4.44Å; L1246-A1291 HydrophobicContact CD1-CB 3.71Å |
| 1247 | A | 88.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1199 H1202 P1243 T1244 I1249 K1250 M1251 | L1199-A1247 HydrophobicContact CD2-CB 3.65Å; H1202-A1247 HydrophobicContact CB-CB 3.84Å; H1202-A1247 WeakPolarHBondContact CD2-CB 3.38Å; H1202-A1247 VanDerWaalsContact CG-CB 3.42Å; P1243-A1247 PolarHBondContact O-N 3.15Å; T1244-A1247 PolarHBondContact O-N 3.09Å; A1247-I1249 PolarHBondContact O-N 3.26Å; A1247-K1250 PolarHBondContact O-N 3.26Å; A1247-M1251 WeakPolarHBondContact O-CB 3.42Å; A1247-M1251 PolarHBondContact O-N 3.29Å |
| 1248 | A | 91.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1199 L1233 V1236 I1237 T1244 M1251 A1252 | L1199-A1248 HydrophobicContact CD1-CB 4.47Å; L1199-A1248 HydrophobicContact CD2-CB 4.15Å; L1233-A1248 HydrophobicContact CD2-CB 3.87Å; V1236-A1248 HydrophobicContact CB-CB 4.35Å; V1236-A1248 HydrophobicContact CG1-CB 3.81Å; I1237-A1248 HydrophobicContact CG1-CB 3.95Å; T1244-A1248 WeakPolarHBondContact O-CB 3.34Å; T1244-A1248 PolarHBondContact O-N 3.48Å; A1248-M1251 PolarHBondContact O-N 3.01Å; A1248-A1252 WeakPolarHBondContact O-CB 3.49Å; A1248-A1252 PolarHBondContact O-N 2.84Å |
| 1249 | I | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.9 | -66.2 | 166.3 | 0 | 0 | 0 | 111.6 | I1237 L1245 L1246 A1247 T1253 V1288 A1291 C1295 | I1237-I1249 HydrophobicContact CD1-CG1 4.37Å; I1237-I1249 HydrophobicContact CG1-CG1 4.13Å; L1245-I1249 HydrophobicContact CD1-CD1 3.78Å; L1245-I1249 HydrophobicContact CD1-CG1 4.31Å; L1245-I1249 HydrophobicContact CG-CD1 3.91Å; L1245-I1249 WeakPolarHBondContact O-CD1 3.5Å; L1245-I1249 VanDerWaalsContact O-CG1 3.24Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.48Å; L1245-I1249 PolarHBondContact O-N 2.87Å; L1246-I1249 PolarHBondContact O-N 3.33Å; A1247-I1249 PolarHBondContact O-N 3.26Å; I1249-T1253 PolarHBondContact O-N 3.34Å; I1249-T1253 PolarHBondContact O-OG1 3.08Å; I1249-V1288 HydrophobicContact CD1-CG1 4.01Å; I1249-A1291 HydrophobicContact CB-CB 4.36Å; I1249-A1291 HydrophobicContact CG2-CB 3.74Å; I1249-C1295 HydrophobicContact CG2-CB 4.13Å |
| 1250 | K | 91.3 | Very high | 85.8 | Confident | 67 Ų | 67 | 36.2 Ų | 36.2 | 29% | 0.291 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 173.8 | -74.4 | -178.2 | -177.8 | -171.1 | 0 | 111.5 | E1214 L1246 A1247 T1253 R1254 A1291 | E1214-K1250 HydrophobicContact CG-CD 4.37Å; E1214-K1250 WeakPolarHBondContact OE1-CD 3.42Å; E1214-K1250 IonicContact OE1-NZ 3.98Å; E1214-K1250 PolarHBondContact OE1-NZ 3.02Å; E1214-K1250 IonicContact OE2-NZ 3.72Å; E1214-K1250 PolarHBondContact OE2-NZ 3.3Å; L1246-K1250 WeakPolarHBondContact O-CG 3.46Å; L1246-K1250 PolarHBondContact O-N 2.7Å; A1247-K1250 PolarHBondContact O-N 3.26Å; K1250-T1253 WeakPolarHBondContact O-CB 3.43Å; K1250-T1253 PolarHBondContact O-N 2.61Å; K1250-R1254 PolarHBondContact O-N 2.76Å; K1250-A1291 HydrophobicContact CG-CB 4.47Å |
| 1251 | M | 92.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 177.5 | -167 | 176 | -173 | 0 | 0 | 111 | I1195 A1217 L1220 A1221 L1233 A1247 A1248 T1253 R1254 V1255 | I1195-M1251 HydrophobicContact CD1-CE 4.35Å; I1195-M1251 HydrophobicContact CG1-CE 3.98Å; I1195-M1251 HydrophobicContact CG1-SD 4.5Å; I1195-M1251 HydrophobicContact CG2-SD 4.16Å; A1217-M1251 HydrophobicContact CB-SD 4.17Å; L1220-M1251 HydrophobicContact CB-CE 4.29Å; A1221-M1251 HydrophobicContact CB-CE 4.17Å; A1221-M1251 HydrophobicContact CB-CG 4.04Å; L1233-M1251 HydrophobicContact CD1-CB 4.4Å; L1233-M1251 HydrophobicContact CD1-CG 4.22Å; L1233-M1251 HydrophobicContact CD1-SD 4.48Å; L1233-M1251 HydrophobicContact CD2-CB 4.19Å; L1233-M1251 HydrophobicContact CD2-CG 4.47Å; L1233-M1251 HydrophobicContact CD2-SD 4.23Å; A1247-M1251 WeakPolarHBondContact O-CB 3.42Å; A1247-M1251 PolarHBondContact O-N 3.29Å; A1248-M1251 PolarHBondContact O-N 3.01Å; M1251-T1253 VanDerWaalsContact C-N 3.31Å; M1251-T1253 PolarHBondContact O-N 2.84Å; M1251-R1254 PolarHBondContact O-N 3.09Å; M1251-V1255 WeakPolarHBondContact O-CG2 3.42Å; M1251-V1255 PolarHBondContact O-N 2.72Å |
| 1252 | A | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1230 L1233 I1237 A1248 R1254 V1255 V1256 | F1230-A1252 HydrophobicContact CE1-CB 4.15Å; L1233-A1252 HydrophobicContact CD1-CB 4.22Å; I1237-A1252 HydrophobicContact CD1-CB 4.08Å; A1248-A1252 WeakPolarHBondContact O-CB 3.49Å; A1248-A1252 PolarHBondContact O-N 2.84Å; A1252-R1254 PolarHBondContact O-N 3.28Å; A1252-V1255 PolarHBondContact O-N 3.26Å; A1252-V1256 WeakPolarHBondContact O-CG2 3.37Å; A1252-V1256 PolarHBondContact O-N 3.14Å |
| 1253 | T | 93.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.7 | -43.6 | 173.8 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | I1249 K1250 M1251 V1256 E1257 C1295 A1298 | I1249-T1253 PolarHBondContact O-N 3.34Å; I1249-T1253 PolarHBondContact O-OG1 3.08Å; K1250-T1253 WeakPolarHBondContact O-CB 3.43Å; K1250-T1253 PolarHBondContact O-N 2.61Å; M1251-T1253 VanDerWaalsContact C-N 3.31Å; M1251-T1253 PolarHBondContact O-N 2.84Å; T1253-V1256 PolarHBondContact O-N 3.28Å; T1253-E1257 PolarHBondContact O-N 3.11Å; T1253-C1295 WeakPolarHBondContact OG1-CA 3.04Å; T1253-C1295 VanDerWaalsContact OG1-CB 3.24Å; T1253-C1295 WeakPolarHBondContact OG1-CB 3.3Å; T1253-A1298 HydrophobicContact CG2-CB 3.99Å |
| 1254 | R | 93.4 | Very high | 89.9 | Confident | 85 Ų | 85 | 33.7 Ų | 33.7 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -74.4 | -34 | -178 | -159.5 | 58.5 | 171.8 | 137 | 9.8 | 113.1 | T1218 A1221 K1250 M1251 A1252 E1257 N1258 | T1218-R1254 HydrophobicContact CG2-CG 4.19Å; A1221-R1254 HydrophobicContact CB-CB 3.95Å; A1221-R1254 HydrophobicContact CB-CG 4.14Å; K1250-R1254 PolarHBondContact O-N 2.76Å; M1251-R1254 PolarHBondContact O-N 3.09Å; A1252-R1254 PolarHBondContact O-N 3.28Å; R1254-E1257 VanDerWaalsContact CD-OE2 3.22Å; R1254-E1257 WeakPolarHBondContact CD-OE2 3.36Å; R1254-E1257 IonicContact CZ-OE2 2.69Å; R1254-E1257 IonicContact NE-OE2 2.78Å; R1254-E1257 IonicContact NH1-OE1 3.73Å; R1254-E1257 IonicContact NH1-OE2 2.8Å; R1254-E1257 PolarHBondContact NH1-OE2 3.28Å; R1254-E1257 PolarHBondContact O-N 2.92Å; R1254-N1258 PolarHBondContact O-N 3.2Å; R1254-N1258 PolarHBondContact O-ND2 3.48Å |
| 1255 | V | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | A1221 P1226 C1229 F1230 L1233 M1251 A1252 E1257 N1258 M1259 | A1221-V1255 HydrophobicContact CB-CG2 3.75Å; P1226-V1255 HydrophobicContact CB-CG1 3.63Å; P1226-V1255 HydrophobicContact CG-CG1 4.31Å; C1229-V1255 HydrophobicContact CB-CG1 4.25Å; C1229-V1255 HydrophobicContact CB-CG2 3.82Å; F1230-V1255 HydrophobicContact CD2-CG1 4.03Å; F1230-V1255 HydrophobicContact CE2-CB 4.14Å; F1230-V1255 HydrophobicContact CE2-CG1 3.37Å; F1230-V1255 HydrophobicContact CZ-CB 4.02Å; F1230-V1255 HydrophobicContact CZ-CG1 3.78Å; L1233-V1255 HydrophobicContact CD1-CG2 4.35Å; M1251-V1255 WeakPolarHBondContact O-CG2 3.42Å; M1251-V1255 PolarHBondContact O-N 2.72Å; A1252-V1255 PolarHBondContact O-N 3.26Å; V1255-E1257 VanDerWaalsContact C-N 3.3Å; V1255-E1257 PolarHBondContact O-N 3.04Å; V1255-N1258 PolarHBondContact O-N 3.09Å; V1255-N1258 VanDerWaalsContact O-N 3.11Å; V1255-M1259 WeakPolarHBondContact O-CB 3.48Å; V1255-M1259 PolarHBondContact O-N 2.91Å |
| 1256 | V | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.4 | -42.2 | 174.7 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | F1230 A1252 T1253 N1258 L1264 L1271 A1298 I1299 K1302 | F1230-V1256 HydrophobicContact CZ-CG2 3.88Å; A1252-V1256 WeakPolarHBondContact O-CG2 3.37Å; A1252-V1256 PolarHBondContact O-N 3.14Å; T1253-V1256 PolarHBondContact O-N 3.28Å; V1256-N1258 PolarHBondContact O-N 2.91Å; V1256-L1264 HydrophobicContact CG1-CD2 3.94Å; V1256-L1264 HydrophobicContact CG2-CD1 4.17Å; V1256-L1271 HydrophobicContact CG2-CD2 4.38Å; V1256-A1298 HydrophobicContact CG1-CB 4.02Å; V1256-I1299 HydrophobicContact CG1-CB 4.46Å; V1256-I1299 HydrophobicContact CG1-CG1 3.8Å; V1256-I1299 HydrophobicContact CG2-CG1 3.92Å; V1256-K1302 HydrophobicContact CG1-CG 4.42Å; V1256-K1302 WeakPolarHBondContact O-CE 3.27Å |
| 1257 | E | 90.6 | Very high | 90.3 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -26.5 | 179.4 | -73.9 | -171.8 | 115.2 | 0 | 0 | 113.5 | K291 T1253 R1254 V1255 A1298 K1302 | K291-E1257 IonicContact NZ-OE1 3.31Å; K291-E1257 PolarHBondContact NZ-OE1 3.23Å; T1253-E1257 PolarHBondContact O-N 3.11Å; R1254-E1257 VanDerWaalsContact CD-OE2 3.22Å; R1254-E1257 WeakPolarHBondContact CD-OE2 3.36Å; R1254-E1257 IonicContact CZ-OE2 2.69Å; R1254-E1257 IonicContact NE-OE2 2.78Å; R1254-E1257 IonicContact NH1-OE1 3.73Å; R1254-E1257 IonicContact NH1-OE2 2.8Å; R1254-E1257 PolarHBondContact NH1-OE2 3.28Å; R1254-E1257 PolarHBondContact O-N 2.92Å; V1255-E1257 VanDerWaalsContact C-N 3.3Å; V1255-E1257 PolarHBondContact O-N 3.04Å; E1257-A1298 HydrophobicContact CG-CB 4.15Å; E1257-K1302 WeakPolarHBondContact O-CE 3.13Å; E1257-K1302 PolarHBondContact O-NZ 2.88Å |
| 1258 | N | 86.2 | Confident | 90.4 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -102 | -12.8 | -177 | -56.8 | -35.4 | 0 | 0 | 0 | 114.3 | A1221 T1222 R1254 V1255 V1256 | A1221-N1258 PolarHBondContact O-ND2 3.41Å; T1222-N1258 WeakPolarHBondContact CG2-ND2 3.49Å; R1254-N1258 PolarHBondContact O-N 3.2Å; R1254-N1258 PolarHBondContact O-ND2 3.48Å; V1255-N1258 PolarHBondContact O-N 3.09Å; V1255-N1258 VanDerWaalsContact O-N 3.11Å; V1256-N1258 PolarHBondContact O-N 2.91Å |
| 1259 | M | 89.2 | Confident | 90.3 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84.5 | 152.8 | -179 | -170.9 | 169.3 | 55.6 | 0 | 0 | 112.5 | P1226 F1230 V1255 E1263 L1264 I1267 K1302 | P1226-M1259 HydrophobicContact CB-CB 3.86Å; P1226-M1259 HydrophobicContact CB-CG 3.64Å; P1226-M1259 HydrophobicContact CB-SD 3.41Å; P1226-M1259 WeakPolarHBondContact CB-SD 3.44Å; P1226-M1259 HydrophobicContact CG-CB 3.91Å; P1226-M1259 HydrophobicContact CG-CG 3.96Å; P1226-M1259 HydrophobicContact CG-SD 4.38Å; F1230-M1259 HydrophobicContact CD2-CE 4.14Å; F1230-M1259 HydrophobicContact CD2-SD 4.14Å; F1230-M1259 HydrophobicContact CE2-CE 3.38Å; F1230-M1259 HydrophobicContact CE2-SD 3.79Å; F1230-M1259 HydrophobicContact CZ-CE 4.13Å; V1255-M1259 WeakPolarHBondContact O-CB 3.48Å; V1255-M1259 PolarHBondContact O-N 2.91Å; M1259-E1263 HydrophobicContact CG-CB 4.01Å; M1259-E1263 HydrophobicContact SD-CB 4.11Å; M1259-L1264 HydrophobicContact CE-CB 3.65Å; M1259-L1264 HydrophobicContact CE-CD1 3.47Å; M1259-L1264 VanDerWaalsContact CE-CD1 3.47Å; M1259-L1264 HydrophobicContact CE-CG 4.05Å; M1259-I1267 HydrophobicContact CE-CD1 3.99Å; M1259-I1267 HydrophobicContact SD-CD1 3.76Å; M1259-K1302 PolarHBondContact O-NZ 3.43Å |
| 1260 | D | 87.1 | Confident | 90.1 | Very high | 114 Ų | 114 | 51.3 Ų | 51.3 | 61% | 0.61 | 26% | 0.261 | S | S | * | . | trans | -71.3 | 147.6 | 174.6 | -68.2 | -42.9 | 0 | 0 | 0 | 112.5 | D1262 E1263 L1264 | D1260-D1262 VanDerWaalsContact C-N 3.33Å; D1260-D1262 PolarHBondContact O-N 3.43Å; D1260-E1263 PolarHBondContact O-N 3.37Å; D1260-L1264 PolarHBondContact O-N 3.04Å | ||
| 1261 | S | 87 | Confident | 90.1 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -37.9 | -174.9 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | L1264 V1265 K1302 | S1261-L1264 WeakPolarHBondContact O-CB 3.47Å; S1261-L1264 PolarHBondContact O-N 3.15Å; S1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; S1261-V1265 PolarHBondContact O-N 3.45Å; S1261-K1302 PolarHBondContact OG-O 3.28Å |
| 1262 | D | 85.9 | Confident | 89.9 | Confident | 130 Ų | 130 | 48.1 Ų | 48.1 | 70% | 0.695 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.8 | -30.6 | -179.6 | -65.9 | -27.5 | 0 | 0 | 0 | 113.1 | D1260 K1266 | D1260-D1262 VanDerWaalsContact C-N 3.33Å; D1260-D1262 PolarHBondContact O-N 3.43Å; D1262-K1266 WeakPolarHBondContact O-CE 3.27Å; D1262-K1266 WeakPolarHBondContact O-CG 3.5Å |
| 1263 | E | 87.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.5 | -41.2 | 170.7 | -63.6 | -154.2 | 139.8 | 0 | 0 | 111.1 | M1259 D1260 V1265 K1266 | M1259-E1263 HydrophobicContact CG-CB 4.01Å; M1259-E1263 HydrophobicContact SD-CB 4.11Å; D1260-E1263 PolarHBondContact O-N 3.37Å; E1263-V1265 VanDerWaalsContact C-N 3.34Å; E1263-V1265 PolarHBondContact O-N 3.47Å; E1263-K1266 WeakPolarHBondContact O-CB 3.15Å; E1263-K1266 PolarHBondContact O-N 3.23Å |
| 1264 | L | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 177.6 | -176.1 | 48.4 | 0 | 0 | 0 | 112.1 | V1256 M1259 D1260 S1261 K1266 I1267 L1268 K1302 V1303 | V1256-L1264 HydrophobicContact CG1-CD2 3.94Å; V1256-L1264 HydrophobicContact CG2-CD1 4.17Å; M1259-L1264 HydrophobicContact CE-CB 3.65Å; M1259-L1264 HydrophobicContact CE-CD1 3.47Å; M1259-L1264 VanDerWaalsContact CE-CD1 3.47Å; M1259-L1264 HydrophobicContact CE-CG 4.05Å; D1260-L1264 PolarHBondContact O-N 3.04Å; S1261-L1264 WeakPolarHBondContact O-CB 3.47Å; S1261-L1264 PolarHBondContact O-N 3.15Å; L1264-K1266 PolarHBondContact O-N 3.21Å; L1264-I1267 PolarHBondContact O-N 3.19Å; L1264-L1268 HydrophobicContact CD1-CD2 3.89Å; L1264-L1268 HydrophobicContact CG-CD2 4.09Å; L1264-L1268 WeakPolarHBondContact O-CG 3.2Å; L1264-L1268 PolarHBondContact O-N 3.19Å; L1264-K1302 HydrophobicContact CD2-CB 3.58Å; L1264-K1302 HydrophobicContact CD2-CG 4.27Å; L1264-V1303 HydrophobicContact CB-CG1 4.15Å; L1264-V1303 HydrophobicContact CD2-CG1 3.71Å; L1264-V1303 HydrophobicContact CG-CG1 3.79Å |
| 1265 | V | 89.6 | Confident | 88.8 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 38% | 0.382 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.7 | -36.8 | -179.9 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | S1261 E1263 I1267 V1303 T1307 | S1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; S1261-V1265 PolarHBondContact O-N 3.45Å; E1263-V1265 VanDerWaalsContact C-N 3.34Å; E1263-V1265 PolarHBondContact O-N 3.47Å; V1265-I1267 VanDerWaalsContact C-N 3.27Å; V1265-I1267 PolarHBondContact O-N 2.89Å; V1265-V1303 HydrophobicContact CG2-CB 4.34Å; V1265-V1303 HydrophobicContact CG2-CG1 3.76Å; V1265-T1307 HydrophobicContact CG1-CG2 4.35Å; V1265-T1307 HydrophobicContact CG2-CG2 3.82Å |
| 1266 | K | 90 | Very high | 88.4 | Confident | 155 Ų | 155 | 46.2 Ų | 46.2 | 67% | 0.674 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66 | -29.3 | 178 | -61.3 | 166.2 | -168 | 167.5 | 0 | 112.5 | D1262 E1263 L1264 | D1262-K1266 WeakPolarHBondContact O-CE 3.27Å; D1262-K1266 WeakPolarHBondContact O-CG 3.5Å; E1263-K1266 WeakPolarHBondContact O-CB 3.15Å; E1263-K1266 PolarHBondContact O-N 3.23Å; L1264-K1266 PolarHBondContact O-N 3.21Å |
| 1267 | I | 90.5 | Very high | 87.5 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -94.8 | -21.6 | -174.9 | -53.4 | 170.9 | 0 | 0 | 0 | 112.2 | L1227 F1230 I1234 M1259 L1264 V1265 P1269 E1270 L1271 | L1227-I1267 HydrophobicContact CD2-CD1 3.63Å; L1227-I1267 HydrophobicContact CD2-CG1 4.3Å; F1230-I1267 HydrophobicContact CB-CG2 4.37Å; F1230-I1267 HydrophobicContact CD2-CD1 3.73Å; F1230-I1267 HydrophobicContact CD2-CG2 4.46Å; F1230-I1267 HydrophobicContact CE2-CD1 4.34Å; F1230-I1267 HydrophobicContact CG-CD1 4.33Å; F1230-I1267 HydrophobicContact CG-CG2 4.19Å; I1234-I1267 HydrophobicContact CD1-CG2 3.66Å; M1259-I1267 HydrophobicContact CE-CD1 3.99Å; M1259-I1267 HydrophobicContact SD-CD1 3.76Å; L1264-I1267 PolarHBondContact O-N 3.19Å; V1265-I1267 VanDerWaalsContact C-N 3.27Å; V1265-I1267 PolarHBondContact O-N 2.89Å; I1267-P1269 VanDerWaalsContact C-N 3.33Å; I1267-E1270 PolarHBondContact O-N 2.8Å; I1267-L1271 HydrophobicContact CG2-CB 4.14Å; I1267-L1271 PolarHBondContact O-N 3.49Å |
| 1268 | L | 90.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -48.1 | -43.2 | -179.5 | -66.3 | -178.6 | 0 | 0 | 0 | 114.8 | L1264 E1270 L1271 V1272 I1299 V1303 T1307 F1311 | L1264-L1268 HydrophobicContact CD1-CD2 3.89Å; L1264-L1268 HydrophobicContact CG-CD2 4.09Å; L1264-L1268 WeakPolarHBondContact O-CG 3.2Å; L1264-L1268 PolarHBondContact O-N 3.19Å; L1268-E1270 PolarHBondContact O-N 3.35Å; L1268-L1271 PolarHBondContact O-N 2.82Å; L1268-V1272 HydrophobicContact CB-CG2 4.18Å; L1268-V1272 HydrophobicContact CD2-CG2 3.81Å; L1268-V1272 WeakPolarHBondContact O-CB 3.35Å; L1268-V1272 WeakPolarHBondContact O-CG2 3.44Å; L1268-V1272 PolarHBondContact O-N 3.25Å; L1268-I1299 HydrophobicContact CD2-CG2 3.6Å; L1268-V1303 HydrophobicContact CD1-CG1 4.35Å; L1268-V1303 HydrophobicContact CD1-CG2 4.11Å; L1268-T1307 HydrophobicContact CD1-CG2 4.09Å; L1268-F1311 HydrophobicContact CB-CE2 4Å; L1268-F1311 HydrophobicContact CB-CZ 4.02Å; L1268-F1311 HydrophobicContact CD1-CE2 4.14Å |
| 1269 | P | 89.2 | Confident | 85.7 | Confident | 74 Ų | 74 | 48 Ų | 48 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -28 | -179.9 | -23.2 | 35.1 | 0 | 0 | 0 | 113.8 | I1267 P1273 F1311 | I1267-P1269 VanDerWaalsContact C-N 3.33Å; P1269-P1273 VanDerWaalsContact O-CD 3.3Å; P1269-P1273 WeakPolarHBondContact O-CD 3.32Å; P1269-P1273 VanDerWaalsContact O-CG 3.3Å; P1269-P1273 WeakPolarHBondContact O-CG 3.33Å; P1269-F1311 HydrophobicContact CB-CE1 4.34Å; P1269-F1311 HydrophobicContact CG-CE1 4.36Å; P1269-F1311 HydrophobicContact CG-CZ 4.21Å |
| 1270 | E | 87.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 48.2 Ų | 48.2 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -92.2 | -36.2 | 180 | -66.9 | -170.2 | -172.5 | 0 | 0 | 113.1 | I1234 R1238 I1267 L1268 | I1234-E1270 HydrophobicContact CD1-CB 4.08Å; I1234-E1270 HydrophobicContact CG2-CB 4.41Å; R1238-E1270 VanDerWaalsContact NH2-CA 3.32Å; R1238-E1270 PolarHBondContact NH2-O 3.26Å; I1267-E1270 PolarHBondContact O-N 2.8Å; L1268-E1270 PolarHBondContact O-N 3.35Å |
| 1271 | L | 90.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -82.1 | -47.9 | -173.8 | 177.3 | 64.9 | 0 | 0 | 0 | 112.9 | F1230 I1234 I1237 V1256 I1267 L1268 G1274 I1275 I1299 | F1230-L1271 HydrophobicContact CD1-CD1 4.1Å; F1230-L1271 HydrophobicContact CD1-CD2 4.27Å; F1230-L1271 HydrophobicContact CE1-CD1 3.9Å; F1230-L1271 HydrophobicContact CE1-CD2 3.61Å; F1230-L1271 HydrophobicContact CE1-CG 4.38Å; F1230-L1271 HydrophobicContact CZ-CD2 4.07Å; I1234-L1271 HydrophobicContact CD1-CB 4.3Å; I1234-L1271 HydrophobicContact CG1-CB 4.46Å; I1234-L1271 HydrophobicContact CG1-CD1 4.08Å; I1237-L1271 HydrophobicContact CD1-CD1 4.18Å; V1256-L1271 HydrophobicContact CG2-CD2 4.38Å; I1267-L1271 HydrophobicContact CG2-CB 4.14Å; I1267-L1271 PolarHBondContact O-N 3.49Å; L1268-L1271 PolarHBondContact O-N 2.82Å; L1271-G1274 PolarHBondContact O-N 2.92Å; L1271-I1275 HydrophobicContact CD1-CD1 3.84Å; L1271-I1275 HydrophobicContact CD1-CG1 4.24Å; L1271-I1275 HydrophobicContact CD2-CD1 4.24Å; L1271-I1275 HydrophobicContact CG-CD1 3.68Å; L1271-I1275 HydrophobicContact CG-CG1 4.42Å; L1271-I1275 PolarHBondContact O-N 3.43Å; L1271-I1299 HydrophobicContact CD2-CD1 4.25Å |
| 1272 | V | 89 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | -170.8 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | L1268 G1274 I1275 L1276 L1296 I1299 L1308 F1311 | L1268-V1272 HydrophobicContact CB-CG2 4.18Å; L1268-V1272 HydrophobicContact CD2-CG2 3.81Å; L1268-V1272 WeakPolarHBondContact O-CB 3.35Å; L1268-V1272 WeakPolarHBondContact O-CG2 3.44Å; L1268-V1272 PolarHBondContact O-N 3.25Å; V1272-G1274 VanDerWaalsContact C-N 3.29Å; V1272-G1274 PolarHBondContact O-N 2.92Å; V1272-I1275 PolarHBondContact O-N 3.22Å; V1272-L1276 HydrophobicContact CG1-CD1 3.65Å; V1272-L1276 HydrophobicContact CG1-CG 3.97Å; V1272-L1276 VanDerWaalsContact O-CG 3.29Å; V1272-L1276 WeakPolarHBondContact O-CG 3.44Å; V1272-L1276 PolarHBondContact O-N 3.05Å; V1272-L1296 HydrophobicContact CG1-CD2 4.28Å; V1272-I1299 HydrophobicContact CG2-CD1 4.35Å; V1272-L1308 HydrophobicContact CG1-CD1 4.46Å; V1272-L1308 HydrophobicContact CG2-CD1 4.29Å; V1272-F1311 HydrophobicContact CB-CB 4.26Å; V1272-F1311 HydrophobicContact CB-CG 4.39Å; V1272-F1311 HydrophobicContact CG1-CB 3.62Å; V1272-F1311 HydrophobicContact CG1-CG 4.27Å |
| 1273 | P | 86 | Confident | 82.9 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -39.7 | 175.6 | -27.3 | 37.1 | 0 | 0 | 0 | 113.4 | P1269 L1276 M1277 | P1269-P1273 VanDerWaalsContact O-CD 3.3Å; P1269-P1273 WeakPolarHBondContact O-CD 3.32Å; P1269-P1273 VanDerWaalsContact O-CG 3.3Å; P1269-P1273 WeakPolarHBondContact O-CG 3.33Å; P1273-L1276 PolarHBondContact O-N 3.42Å; P1273-M1277 WeakPolarHBondContact O-CB 3.24Å; P1273-M1277 WeakPolarHBondContact O-CG 3.35Å; P1273-M1277 PolarHBondContact O-N 2.9Å |
| 1274 | G | 84 | Confident | 82.1 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1271 V1272 L1276 V1278 | L1271-G1274 PolarHBondContact O-N 2.92Å; V1272-G1274 VanDerWaalsContact C-N 3.29Å; V1272-G1274 PolarHBondContact O-N 2.92Å; G1274-L1276 VanDerWaalsContact C-N 3.28Å; G1274-L1276 PolarHBondContact O-N 3.35Å; G1274-V1278 VanDerWaalsContact O-CB 3.31Å; G1274-V1278 WeakPolarHBondContact O-CB 3.35Å; G1274-V1278 PolarHBondContact O-N 3.21Å |
| 1275 | I | 87.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -59.5 | -40 | 177.3 | -63.9 | 169.9 | 0 | 0 | 0 | 111.3 | L1271 V1272 G1279 F1280 C1295 L1296 I1299 | L1271-I1275 HydrophobicContact CD1-CD1 3.84Å; L1271-I1275 HydrophobicContact CD1-CG1 4.24Å; L1271-I1275 HydrophobicContact CD2-CD1 4.24Å; L1271-I1275 HydrophobicContact CG-CD1 3.68Å; L1271-I1275 HydrophobicContact CG-CG1 4.42Å; L1271-I1275 PolarHBondContact O-N 3.43Å; V1272-I1275 PolarHBondContact O-N 3.22Å; I1275-G1279 CarbonylContact O-C 3.55Å; I1275-G1279 WeakPolarHBondContact O-CA 3.42Å; I1275-G1279 PolarHBondContact O-N 3.03Å; I1275-F1280 PolarHBondContact O-N 3.28Å; I1275-C1295 HydrophobicContact CD1-CB 4.4Å; I1275-C1295 VanDerWaalsContact CD1-SG 3.6Å; I1275-L1296 HydrophobicContact CG2-CD1 4.29Å; I1275-L1296 HydrophobicContact CG2-CD2 4.12Å; I1275-L1296 HydrophobicContact CG2-CG 3.89Å; I1275-I1299 HydrophobicContact CD1-CD1 3.88Å |
| 1276 | L | 84.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -70.4 | -62.4 | 179.2 | -66.1 | 173.4 | 0 | 0 | 0 | 111.4 | V1272 P1273 G1274 F1280 E1281 L1296 F1311 L1312 L1315 | V1272-L1276 HydrophobicContact CG1-CD1 3.65Å; V1272-L1276 HydrophobicContact CG1-CG 3.97Å; V1272-L1276 VanDerWaalsContact O-CG 3.29Å; V1272-L1276 WeakPolarHBondContact O-CG 3.44Å; V1272-L1276 PolarHBondContact O-N 3.05Å; P1273-L1276 PolarHBondContact O-N 3.42Å; G1274-L1276 VanDerWaalsContact C-N 3.28Å; G1274-L1276 PolarHBondContact O-N 3.35Å; L1276-F1280 HydrophobicContact CD2-CD1 4.3Å; L1276-F1280 PolarHBondContact O-N 2.89Å; L1276-E1281 WeakPolarHBondContact O-CG 3.44Å; L1276-E1281 PolarHBondContact O-N 3.15Å; L1276-L1296 HydrophobicContact CD2-CD1 3.78Å; L1276-L1296 HydrophobicContact CD2-CD2 4.29Å; L1276-F1311 WeakPolarHBondContact CD1-O 3.31Å; L1276-L1312 HydrophobicContact CD2-CD2 4.2Å; L1276-L1315 HydrophobicContact CD2-CD1 3.85Å; L1276-L1315 HydrophobicContact CD2-CD2 3.92Å; L1276-L1315 HydrophobicContact CD2-CG 4.04Å |
| 1277 | M | 75.1 | Confident | 80.9 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 69% | 0.685 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -66.1 | -44.9 | -172.7 | -68.3 | -172.8 | 69.6 | 0 | 0 | 112.9 | P1273 | P1273-M1277 WeakPolarHBondContact O-CB 3.24Å; P1273-M1277 WeakPolarHBondContact O-CG 3.35Å; P1273-M1277 PolarHBondContact O-N 2.9Å |
| 1278 | V | 69 | Low | 80.7 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 13% | 0.127 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -92.8 | -35.2 | -170.4 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | I1237 N1240 L1245 G1274 N1282 | I1237-V1278 VanDerWaalsContact O-CB 3.31Å; I1237-V1278 WeakPolarHBondContact O-CB 3.37Å; I1237-V1278 VanDerWaalsContact O-CG1 3.26Å; I1237-V1278 WeakPolarHBondContact O-CG1 3.46Å; I1237-V1278 WeakPolarHBondContact O-CG2 3.49Å; N1240-V1278 HydrophobicContact CB-CG1 3.42Å; N1240-V1278 VanDerWaalsContact CB-CG1 3.42Å; N1240-V1278 VanDerWaalsContact CG-CG1 3.41Å; N1240-V1278 WeakPolarHBondContact OD1-CG1 3.42Å; L1245-V1278 HydrophobicContact CD1-CG1 3.89Å; L1245-V1278 HydrophobicContact CD2-CG1 3.86Å; G1274-V1278 VanDerWaalsContact O-CB 3.31Å; G1274-V1278 WeakPolarHBondContact O-CB 3.35Å; G1274-V1278 PolarHBondContact O-N 3.21Å; V1278-N1282 WeakPolarHBondContact O-CB 3.3Å; V1278-N1282 PolarHBondContact O-ND2 3.23Å |
| 1279 | G | 69.8 | Low | 80.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -94 | -59.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1275 N1282 S1292 | I1275-G1279 CarbonylContact O-C 3.55Å; I1275-G1279 WeakPolarHBondContact O-CA 3.42Å; I1275-G1279 PolarHBondContact O-N 3.03Å; G1279-N1282 WeakPolarHBondContact O-CB 3.38Å; G1279-N1282 PolarHBondContact O-N 3.08Å; G1279-S1292 WeakPolarHBondContact CA-OG 3.36Å |
| 1280 | F | 76.2 | Confident | 80.5 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -82.1 | -23.4 | -171.8 | -171.4 | -137.5 | 0 | 0 | 0 | 113.5 | I1275 L1276 S1292 V1293 L1296 L1315 K1319 L1322 | I1275-F1280 PolarHBondContact O-N 3.28Å; L1276-F1280 HydrophobicContact CD2-CD1 4.3Å; L1276-F1280 PolarHBondContact O-N 2.89Å; F1280-S1292 PolarHBondContact N-OG 3.35Å; F1280-V1293 HydrophobicContact CD2-CG2 3.6Å; F1280-V1293 HydrophobicContact CE2-CG2 3.22Å; F1280-V1293 HydrophobicContact CZ-CG2 4.03Å; F1280-L1296 HydrophobicContact CD1-CD1 4.36Å; F1280-L1315 HydrophobicContact CD1-CD1 4.2Å; F1280-L1315 HydrophobicContact CD1-CD2 3.58Å; F1280-L1315 HydrophobicContact CE1-CD1 3.84Å; F1280-L1315 HydrophobicContact CE1-CD2 3.67Å; F1280-L1315 HydrophobicContact CE1-CG 4.38Å; F1280-K1319 HydrophobicContact CD1-CD 4.41Å; F1280-K1319 HydrophobicContact CE1-CB 3.69Å; F1280-K1319 HydrophobicContact CE1-CD 4.12Å; F1280-K1319 HydrophobicContact CE1-CG 4.14Å; F1280-K1319 HydrophobicContact CZ-CB 3.77Å; F1280-K1319 HydrophobicContact CZ-CD 4.45Å; F1280-K1319 HydrophobicContact CZ-CG 4.08Å; F1280-L1322 HydrophobicContact CE2-CD2 4.37Å |
| 1281 | E | 74.3 | Confident | 80.6 | Confident | 87 Ų | 87 | 47.1 Ų | 47.1 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -88.2 | -6.6 | 169.4 | -49.3 | -128.2 | 110.3 | 0 | 0 | 114.1 | L1276 Q1283 K1319 | L1276-E1281 WeakPolarHBondContact O-CG 3.44Å; L1276-E1281 PolarHBondContact O-N 3.15Å; E1281-Q1283 WeakPolarHBondContact O-CG 3.41Å; E1281-Q1283 PolarHBondContact O-N 3.22Å; E1281-K1319 VanDerWaalsContact CD-NZ 3.25Å; E1281-K1319 VanDerWaalsContact CG-NZ 3.33Å; E1281-K1319 IonicContact OE1-NZ 2.93Å; E1281-K1319 PolarHBondContact OE1-NZ 3.28Å |
| 1282 | N | 72.2 | Confident | 80.6 | Confident | 16 Ų | 16 | 47 Ų | 47 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | trans | -51.6 | 121.5 | -180 | -164.9 | -64.1 | 0 | 0 | 0 | 111.7 | V1278 G1279 S1284 E1285 V1288 R1289 | V1278-N1282 WeakPolarHBondContact O-CB 3.3Å; V1278-N1282 PolarHBondContact O-ND2 3.23Å; G1279-N1282 WeakPolarHBondContact O-CB 3.38Å; G1279-N1282 PolarHBondContact O-N 3.08Å; N1282-S1284 PolarHBondContact OD1-N 2.91Å; N1282-S1284 PolarHBondContact OD1-OG 3.42Å; N1282-S1284 VanDerWaalsContact OD1-OG 3.04Å; N1282-E1285 PolarHBondContact OD1-N 3.34Å; N1282-V1288 HydrophobicContact CB-CG1 4.12Å; N1282-R1289 HydrophobicContact CB-CG 4.31Å; N1282-R1289 WeakPolarHBondContact O-CD 3.35Å; N1282-R1289 VanDerWaalsContact O-CG 3.29Å; N1282-R1289 WeakPolarHBondContact O-CG 3.34Å; N1282-R1289 PolarHBondContact O-NH1 3.36Å | ||
| 1283 | Q | 67.7 | Low | 80.8 | Confident | 183 Ų | 183 | 47.1 Ų | 47.1 | 86% | 0.855 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -88.1 | -34.1 | -173.2 | -60.3 | -173.9 | 17.3 | 0 | 0 | 112.9 | E1281 R1289 | E1281-Q1283 WeakPolarHBondContact O-CG 3.41Å; E1281-Q1283 PolarHBondContact O-N 3.22Å; Q1283-R1289 VanDerWaalsContact C-NH1 3.26Å; Q1283-R1289 PolarHBondContact O-NH1 3.38Å |
| 1284 | S | 70.5 | Confident | 81 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 72% | 0.72 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -73.8 | -45.5 | -177 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | N1282 | N1282-S1284 PolarHBondContact OD1-N 2.91Å; N1282-S1284 PolarHBondContact OD1-OG 3.42Å; N1282-S1284 VanDerWaalsContact OD1-OG 3.04Å |
| 1285 | E | 78 | Confident | 81.5 | Confident | 59 Ų | 59 | 47 Ų | 47 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | trans | -110.3 | 118.9 | -166.4 | -78.8 | -160.2 | -139.8 | 0 | 0 | 115.7 | S1242 N1282 S1287 V1288 R1289 | S1242-E1285 WeakPolarHBondContact CB-OE1 3.46Å; S1242-E1285 VanDerWaalsContact OG-CD 3.28Å; S1242-E1285 PolarHBondContact OG-OE1 2.97Å; N1282-E1285 PolarHBondContact OD1-N 3.34Å; E1285-S1287 PolarHBondContact OE2-OG 3.35Å; E1285-V1288 HydrophobicContact CB-CB 4.04Å; E1285-V1288 HydrophobicContact CB-CG2 3.76Å; E1285-R1289 WeakPolarHBondContact O-CG 3.43Å; E1285-R1289 PolarHBondContact O-N 2.99Å; E1285-R1289 PolarHBondContact O-NH1 3.38Å | ||
| 1286 | S | 83.2 | Confident | 81.7 | Confident | 84 Ų | 84 | 47 Ų | 47 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75 | -27.3 | 175.8 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | K1290 | S1286-K1290 WeakPolarHBondContact O-CB 3.47Å; S1286-K1290 PolarHBondContact O-N 3.33Å |
| 1287 | S | 83.5 | Confident | 82.1 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.3 | -57.2 | 170.4 | 29.6 | 0 | 0 | 0 | 0 | 111 | E1285 K1290 A1291 | E1285-S1287 PolarHBondContact OE2-OG 3.35Å; S1287-K1290 PolarHBondContact O-N 2.73Å; S1287-A1291 PolarHBondContact O-N 2.89Å |
| 1288 | V | 87 | Confident | 83 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -53.5 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | L1245 L1246 I1249 N1282 E1285 K1290 A1291 S1292 | L1245-V1288 HydrophobicContact CD2-CG1 3.73Å; L1245-V1288 HydrophobicContact CD2-CG2 4.4Å; L1245-V1288 HydrophobicContact CG-CG1 4.13Å; L1246-V1288 HydrophobicContact CB-CG2 4.15Å; L1246-V1288 HydrophobicContact CD1-CG2 4.44Å; I1249-V1288 HydrophobicContact CD1-CG1 4.01Å; N1282-V1288 HydrophobicContact CB-CG1 4.12Å; E1285-V1288 HydrophobicContact CB-CB 4.04Å; E1285-V1288 HydrophobicContact CB-CG2 3.76Å; V1288-K1290 PolarHBondContact O-N 3.32Å; V1288-K1290 VanDerWaalsContact O-N 3.16Å; V1288-A1291 PolarHBondContact O-N 3.03Å; V1288-S1292 PolarHBondContact O-N 3.18Å; V1288-S1292 PolarHBondContact O-OG 3.33Å |
| 1289 | R | 87.4 | Confident | 84.1 | Confident | 85 Ų | 85 | 40 Ų | 40 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.1 | -39.8 | 177.3 | -71.3 | -170.5 | -65.3 | -92.2 | 8.9 | 113.2 | N1282 Q1283 E1285 V1293 | N1282-R1289 HydrophobicContact CB-CG 4.31Å; N1282-R1289 WeakPolarHBondContact O-CD 3.35Å; N1282-R1289 VanDerWaalsContact O-CG 3.29Å; N1282-R1289 WeakPolarHBondContact O-CG 3.34Å; N1282-R1289 PolarHBondContact O-NH1 3.36Å; Q1283-R1289 VanDerWaalsContact C-NH1 3.26Å; Q1283-R1289 PolarHBondContact O-NH1 3.38Å; E1285-R1289 WeakPolarHBondContact O-CG 3.43Å; E1285-R1289 PolarHBondContact O-N 2.99Å; E1285-R1289 PolarHBondContact O-NH1 3.38Å; R1289-V1293 WeakPolarHBondContact O-CG2 3.36Å; R1289-V1293 PolarHBondContact O-N 2.95Å |
| 1290 | K | 88.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 41.1 Ų | 41.1 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68 | -45.5 | 176.9 | 175.4 | 179 | 167.9 | 175.4 | 0 | 111.5 | S295 S1286 S1287 V1288 S1292 V1293 L1294 | S295-K1290 PolarHBondContact O-NZ 3.25Å; S295-K1290 VanDerWaalsContact OG-CD 3.28Å; S295-K1290 WeakPolarHBondContact OG-CD 3.45Å; S295-K1290 WeakPolarHBondContact OG-CE 3.37Å; S1286-K1290 WeakPolarHBondContact O-CB 3.47Å; S1286-K1290 PolarHBondContact O-N 3.33Å; S1287-K1290 PolarHBondContact O-N 2.73Å; V1288-K1290 PolarHBondContact O-N 3.32Å; V1288-K1290 VanDerWaalsContact O-N 3.16Å; K1290-S1292 VanDerWaalsContact C-N 3.31Å; K1290-S1292 PolarHBondContact O-N 3.11Å; K1290-V1293 PolarHBondContact O-N 2.66Å; K1290-L1294 HydrophobicContact CG-CD1 4.26Å; K1290-L1294 WeakPolarHBondContact O-CG 3.28Å; K1290-L1294 PolarHBondContact O-N 3.04Å; K1290-L1294 VanDerWaalsContact O-N 3.09Å |
| 1291 | A | 89.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1246 I1249 K1250 S1287 V1288 V1293 L1294 C1295 | L1246-A1291 HydrophobicContact CD1-CB 3.71Å; I1249-A1291 HydrophobicContact CB-CB 4.36Å; I1249-A1291 HydrophobicContact CG2-CB 3.74Å; K1250-A1291 HydrophobicContact CG-CB 4.47Å; S1287-A1291 PolarHBondContact O-N 2.89Å; V1288-A1291 PolarHBondContact O-N 3.03Å; A1291-V1293 PolarHBondContact O-N 3.49Å; A1291-L1294 PolarHBondContact O-N 3.12Å; A1291-C1295 PolarHBondContact O-N 2.88Å |
| 1292 | S | 90.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 176 | -49.2 | 0 | 0 | 0 | 0 | 113 | G1279 F1280 V1288 K1290 C1295 L1296 | G1279-S1292 WeakPolarHBondContact CA-OG 3.36Å; F1280-S1292 PolarHBondContact N-OG 3.35Å; V1288-S1292 PolarHBondContact O-N 3.18Å; V1288-S1292 PolarHBondContact O-OG 3.33Å; K1290-S1292 VanDerWaalsContact C-N 3.31Å; K1290-S1292 PolarHBondContact O-N 3.11Å; S1292-C1295 PolarHBondContact O-N 3.1Å; S1292-L1296 VanDerWaalsContact O-CG 3.31Å; S1292-L1296 WeakPolarHBondContact O-CG 3.41Å; S1292-L1296 PolarHBondContact O-N 3.07Å |
| 1293 | V | 91.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | F1280 R1289 K1290 A1291 L1296 V1297 L1323 Y1326 | F1280-V1293 HydrophobicContact CD2-CG2 3.6Å; F1280-V1293 HydrophobicContact CE2-CG2 3.22Å; F1280-V1293 HydrophobicContact CZ-CG2 4.03Å; R1289-V1293 WeakPolarHBondContact O-CG2 3.36Å; R1289-V1293 PolarHBondContact O-N 2.95Å; K1290-V1293 PolarHBondContact O-N 2.66Å; A1291-V1293 PolarHBondContact O-N 3.49Å; V1293-L1296 PolarHBondContact O-N 2.78Å; V1293-V1297 HydrophobicContact CG1-CG2 4.35Å; V1293-V1297 WeakPolarHBondContact O-CG2 3.15Å; V1293-V1297 PolarHBondContact O-N 3.36Å; V1293-L1323 HydrophobicContact CG1-CD1 4.28Å; V1293-Y1326 HydrophobicContact CG1-CD1 3.62Å; V1293-Y1326 HydrophobicContact CG1-CD2 3.71Å; V1293-Y1326 HydrophobicContact CG1-CE1 3.91Å; V1293-Y1326 HydrophobicContact CG1-CE2 3.99Å; V1293-Y1326 HydrophobicContact CG1-CG 3.47Å; V1293-Y1326 VanDerWaalsContact CG1-CG 3.47Å |
| 1294 | L | 91.9 | Very high | 88.2 | Confident | 55 Ų | 55 | 35.3 Ų | 35.3 | 29% | 0.288 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 179.2 | -65.5 | 173.4 | 0 | 0 | 0 | 111.7 | K1290 A1291 V1297 A1298 Y1326 | K1290-L1294 HydrophobicContact CG-CD1 4.26Å; K1290-L1294 WeakPolarHBondContact O-CG 3.28Å; K1290-L1294 PolarHBondContact O-N 3.04Å; K1290-L1294 VanDerWaalsContact O-N 3.09Å; A1291-L1294 PolarHBondContact O-N 3.12Å; L1294-V1297 PolarHBondContact O-N 2.55Å; L1294-A1298 PolarHBondContact O-N 3.02Å; L1294-Y1326 HydrophobicContact CD2-CD1 4.21Å; L1294-Y1326 HydrophobicContact CD2-CE1 4.42Å |
| 1295 | C | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 173.6 | -163.2 | 0 | 0 | 0 | 0 | 112 | I1249 T1253 I1275 A1291 S1292 V1297 A1298 I1299 | I1249-C1295 HydrophobicContact CG2-CB 4.13Å; T1253-C1295 WeakPolarHBondContact OG1-CA 3.04Å; T1253-C1295 VanDerWaalsContact OG1-CB 3.24Å; T1253-C1295 WeakPolarHBondContact OG1-CB 3.3Å; I1275-C1295 HydrophobicContact CD1-CB 4.4Å; I1275-C1295 VanDerWaalsContact CD1-SG 3.6Å; A1291-C1295 PolarHBondContact O-N 2.88Å; S1292-C1295 PolarHBondContact O-N 3.1Å; C1295-V1297 VanDerWaalsContact C-N 3.28Å; C1295-V1297 PolarHBondContact O-N 3.05Å; C1295-A1298 PolarHBondContact O-N 3.38Å; C1295-I1299 WeakPolarHBondContact O-CG1 3.45Å; C1295-I1299 PolarHBondContact O-N 3.5Å |
| 1296 | L | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -31.5 | 175.6 | -69.5 | 168.6 | 0 | 0 | 0 | 113 | V1272 I1275 L1276 F1280 S1292 V1293 H1300 L1312 L1323 | V1272-L1296 HydrophobicContact CG1-CD2 4.28Å; I1275-L1296 HydrophobicContact CG2-CD1 4.29Å; I1275-L1296 HydrophobicContact CG2-CD2 4.12Å; I1275-L1296 HydrophobicContact CG2-CG 3.89Å; L1276-L1296 HydrophobicContact CD2-CD1 3.78Å; L1276-L1296 HydrophobicContact CD2-CD2 4.29Å; F1280-L1296 HydrophobicContact CD1-CD1 4.36Å; S1292-L1296 VanDerWaalsContact O-CG 3.31Å; S1292-L1296 WeakPolarHBondContact O-CG 3.41Å; S1292-L1296 PolarHBondContact O-N 3.07Å; V1293-L1296 PolarHBondContact O-N 2.78Å; L1296-H1300 WeakPolarHBondContact O-CB 3.48Å; L1296-H1300 PolarHBondContact O-N 2.96Å; L1296-L1312 HydrophobicContact CD2-CD2 4.4Å; L1296-L1323 HydrophobicContact CB-CD1 3.72Å; L1296-L1323 HydrophobicContact CB-CD2 4.39Å; L1296-L1323 HydrophobicContact CD1-CD1 4.42Å; L1296-L1323 HydrophobicContact CD1-CD2 4.25Å |
| 1297 | V | 92.8 | Very high | 89 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -44 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V1293 L1294 C1295 I1299 H1300 G1301 L1323 I1327 D1330 | V1293-V1297 HydrophobicContact CG1-CG2 4.35Å; V1293-V1297 WeakPolarHBondContact O-CG2 3.15Å; V1293-V1297 PolarHBondContact O-N 3.36Å; L1294-V1297 PolarHBondContact O-N 2.55Å; C1295-V1297 VanDerWaalsContact C-N 3.28Å; C1295-V1297 PolarHBondContact O-N 3.05Å; V1297-I1299 PolarHBondContact O-N 3.39Å; V1297-H1300 WeakPolarHBondContact O-CB 3.32Å; V1297-H1300 PolarHBondContact O-N 3.28Å; V1297-G1301 PolarHBondContact O-N 2.89Å; V1297-L1323 HydrophobicContact CG2-CD1 4.07Å; V1297-I1327 HydrophobicContact CG2-CG1 3.98Å; V1297-D1330 HydrophobicContact CG1-CB 3.59Å |
| 1298 | A | 92.2 | Very high | 89.2 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T1253 V1256 E1257 L1294 C1295 G1301 K1302 | T1253-A1298 HydrophobicContact CG2-CB 3.99Å; V1256-A1298 HydrophobicContact CG1-CB 4.02Å; E1257-A1298 HydrophobicContact CG-CB 4.15Å; L1294-A1298 PolarHBondContact O-N 3.02Å; C1295-A1298 PolarHBondContact O-N 3.38Å; A1298-G1301 PolarHBondContact O-N 3.28Å; A1298-K1302 PolarHBondContact O-N 3.2Å |
| 1299 | I | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 173.4 | -67.2 | 168.6 | 0 | 0 | 0 | 110.1 | V1256 L1268 L1271 V1272 I1275 C1295 V1297 G1301 K1302 V1303 L1308 | V1256-I1299 HydrophobicContact CG1-CB 4.46Å; V1256-I1299 HydrophobicContact CG1-CG1 3.8Å; V1256-I1299 HydrophobicContact CG2-CG1 3.92Å; L1268-I1299 HydrophobicContact CD2-CG2 3.6Å; L1271-I1299 HydrophobicContact CD2-CD1 4.25Å; V1272-I1299 HydrophobicContact CG2-CD1 4.35Å; I1275-I1299 HydrophobicContact CD1-CD1 3.88Å; C1295-I1299 WeakPolarHBondContact O-CG1 3.45Å; C1295-I1299 PolarHBondContact O-N 3.5Å; V1297-I1299 PolarHBondContact O-N 3.39Å; I1299-G1301 PolarHBondContact O-N 2.84Å; I1299-K1302 PolarHBondContact O-N 3.46Å; I1299-V1303 HydrophobicContact CG2-CG2 3.93Å; I1299-V1303 WeakPolarHBondContact O-CG2 3.18Å; I1299-V1303 PolarHBondContact O-N 2.9Å; I1299-L1308 HydrophobicContact CG2-CD1 3.89Å; I1299-L1308 HydrophobicContact CG2-CD2 4.29Å |
| 1300 | H | 91.8 | Very high | 88.9 | Confident | 25 Ų | 25 | 39 Ų | 39 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -37.5 | 176.7 | 176 | -79.4 | 0 | 0 | 0 | 112.5 | L1296 V1297 K1302 G1304 L1308 I1327 | L1296-H1300 WeakPolarHBondContact O-CB 3.48Å; L1296-H1300 PolarHBondContact O-N 2.96Å; V1297-H1300 WeakPolarHBondContact O-CB 3.32Å; V1297-H1300 PolarHBondContact O-N 3.28Å; H1300-K1302 VanDerWaalsContact C-N 3.29Å; H1300-K1302 PolarHBondContact O-N 2.92Å; H1300-G1304 VanDerWaalsContact O-CA 3.28Å; H1300-G1304 WeakPolarHBondContact O-CA 3.22Å; H1300-G1304 PolarHBondContact O-N 3.26Å; H1300-L1308 HydrophobicContact CB-CD2 3.79Å; H1300-I1327 HydrophobicContact CB-CD1 4.21Å; H1300-I1327 HydrophobicContact CB-CG1 4.37Å; H1300-I1327 WeakPolarHBondContact CE1-CG2 3.41Å |
| 1301 | G | 89.8 | Confident | 88.7 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.4 | -26 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1297 A1298 I1299 | V1297-G1301 PolarHBondContact O-N 2.89Å; A1298-G1301 PolarHBondContact O-N 3.28Å; I1299-G1301 PolarHBondContact O-N 2.84Å |
| 1302 | K | 89 | Confident | 88.5 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -95.2 | -42.7 | -178.7 | -78.8 | -84 | -174.1 | 160.6 | 0 | 114.6 | V1256 E1257 M1259 S1261 L1264 A1298 I1299 H1300 | V1256-K1302 HydrophobicContact CG1-CG 4.42Å; V1256-K1302 WeakPolarHBondContact O-CE 3.27Å; E1257-K1302 WeakPolarHBondContact O-CE 3.13Å; E1257-K1302 PolarHBondContact O-NZ 2.88Å; M1259-K1302 PolarHBondContact O-NZ 3.43Å; S1261-K1302 PolarHBondContact OG-O 3.28Å; L1264-K1302 HydrophobicContact CD2-CB 3.58Å; L1264-K1302 HydrophobicContact CD2-CG 4.27Å; A1298-K1302 PolarHBondContact O-N 3.2Å; I1299-K1302 PolarHBondContact O-N 3.46Å; H1300-K1302 VanDerWaalsContact C-N 3.29Å; H1300-K1302 PolarHBondContact O-N 2.92Å |
| 1303 | V | 89.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -104.5 | -4.7 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 114.5 | L1264 V1265 L1268 I1299 T1307 L1308 | L1264-V1303 HydrophobicContact CB-CG1 4.15Å; L1264-V1303 HydrophobicContact CD2-CG1 3.71Å; L1264-V1303 HydrophobicContact CG-CG1 3.79Å; V1265-V1303 HydrophobicContact CG2-CB 4.34Å; V1265-V1303 HydrophobicContact CG2-CG1 3.76Å; L1268-V1303 HydrophobicContact CD1-CG1 4.35Å; L1268-V1303 HydrophobicContact CD1-CG2 4.11Å; I1299-V1303 HydrophobicContact CG2-CG2 3.93Å; I1299-V1303 WeakPolarHBondContact O-CG2 3.18Å; I1299-V1303 PolarHBondContact O-N 2.9Å; V1303-T1307 HydrophobicContact CB-CG2 4.17Å; V1303-T1307 HydrophobicContact CG2-CG2 4.38Å; V1303-T1307 WeakPolarHBondContact O-CB 3.4Å; V1303-T1307 PolarHBondContact O-OG1 3.33Å; V1303-L1308 HydrophobicContact CG2-CB 4.36Å |
| 1304 | G | 85.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | 73.9 | 177.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1300 | H1300-G1304 VanDerWaalsContact O-CA 3.28Å; H1300-G1304 WeakPolarHBondContact O-CA 3.22Å; H1300-G1304 PolarHBondContact O-N 3.26Å |
| 1305 | S | 81.6 | Confident | 86.8 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72 | -36.8 | -176.1 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | T1307 L1308 E1309 | S1305-T1307 PolarHBondContact O-N 2.69Å; S1305-L1308 PolarHBondContact O-N 2.9Å; S1305-E1309 VanDerWaalsContact O-CB 3.28Å; S1305-E1309 WeakPolarHBondContact O-CB 3.45Å; S1305-E1309 PolarHBondContact O-N 3.29Å |
| 1306 | E | 81.7 | Confident | 86.2 | Confident | 179 Ų | 179 | 48.1 Ų | 48.1 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | -172 | -60.8 | -174.1 | 171.7 | 0 | 0 | 111.8 | P1310 | E1306-P1310 WeakPolarHBondContact O-CD 3.14Å |
| 1307 | T | 85.5 | Confident | 85.6 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.1 | -32 | -178.8 | -38.5 | 0 | 0 | 0 | 0 | 113.2 | V1265 L1268 V1303 S1305 | V1265-T1307 HydrophobicContact CG1-CG2 4.35Å; V1265-T1307 HydrophobicContact CG2-CG2 3.82Å; L1268-T1307 HydrophobicContact CD1-CG2 4.09Å; V1303-T1307 HydrophobicContact CB-CG2 4.17Å; V1303-T1307 HydrophobicContact CG2-CG2 4.38Å; V1303-T1307 WeakPolarHBondContact O-CB 3.4Å; V1303-T1307 PolarHBondContact O-OG1 3.33Å; S1305-T1307 PolarHBondContact O-N 2.69Å |
| 1308 | L | 87 | Confident | 84.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -86.3 | -31.4 | -178.1 | -175.9 | 60.5 | 0 | 0 | 0 | 112.9 | V1272 I1299 H1300 V1303 S1305 F1311 L1312 | V1272-L1308 HydrophobicContact CG1-CD1 4.46Å; V1272-L1308 HydrophobicContact CG2-CD1 4.29Å; I1299-L1308 HydrophobicContact CG2-CD1 3.89Å; I1299-L1308 HydrophobicContact CG2-CD2 4.29Å; H1300-L1308 HydrophobicContact CB-CD2 3.79Å; V1303-L1308 HydrophobicContact CG2-CB 4.36Å; S1305-L1308 PolarHBondContact O-N 2.9Å; L1308-F1311 PolarHBondContact O-N 3.4Å; L1308-F1311 VanDerWaalsContact O-N 3.12Å; L1308-L1312 HydrophobicContact CD1-CD2 4.45Å; L1308-L1312 HydrophobicContact CD2-CD1 4.1Å; L1308-L1312 HydrophobicContact CG-CD1 3.9Å; L1308-L1312 HydrophobicContact CG-CD2 4.3Å; L1308-L1312 HydrophobicContact CG-CG 4Å |
| 1309 | E | 85 | Confident | 84.4 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -51.9 | -39.6 | -173.9 | -170.6 | 73.4 | 168.8 | 0 | 0 | 115.2 | S1305 F1311 L1312 R1320 | S1305-E1309 VanDerWaalsContact O-CB 3.28Å; S1305-E1309 WeakPolarHBondContact O-CB 3.45Å; S1305-E1309 PolarHBondContact O-N 3.29Å; E1309-F1311 VanDerWaalsContact C-N 3.3Å; E1309-F1311 PolarHBondContact O-N 2.81Å; E1309-L1312 PolarHBondContact O-N 3.24Å; E1309-L1312 VanDerWaalsContact O-N 3.13Å; E1309-R1320 IonicContact OE1-CZ 3.34Å; E1309-R1320 IonicContact OE1-NH1 2.69Å; E1309-R1320 PolarHBondContact OE1-NH1 2.87Å; E1309-R1320 IonicContact OE1-NH2 2.58Å; E1309-R1320 PolarHBondContact OE1-NH2 2.69Å; E1309-R1320 IonicContact OE2-CZ 2.9Å; E1309-R1320 IonicContact OE2-NH1 2.82Å; E1309-R1320 IonicContact OE2-NH2 3.27Å; E1309-R1320 PolarHBondContact OE2-NH2 2.93Å |
| 1310 | P | 84.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -57.7 | -39.5 | 178 | -26 | 35.7 | 0 | 0 | 0 | 113.5 | E1306 L1312 S1313 | E1306-P1310 WeakPolarHBondContact O-CD 3.14Å; P1310-L1312 VanDerWaalsContact C-N 3.33Å; P1310-L1312 PolarHBondContact O-N 3.02Å; P1310-S1313 WeakPolarHBondContact O-CB 3.26Å; P1310-S1313 PolarHBondContact O-OG 3.47Å |
| 1311 | F | 84.5 | Confident | 83.8 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -75.2 | -21.8 | -179.3 | -55.3 | -80.4 | 0 | 0 | 0 | 112.8 | L1268 P1269 V1272 L1276 L1308 E1309 S1313 | L1268-F1311 HydrophobicContact CB-CE2 4Å; L1268-F1311 HydrophobicContact CB-CZ 4.02Å; L1268-F1311 HydrophobicContact CD1-CE2 4.14Å; P1269-F1311 HydrophobicContact CB-CE1 4.34Å; P1269-F1311 HydrophobicContact CG-CE1 4.36Å; P1269-F1311 HydrophobicContact CG-CZ 4.21Å; V1272-F1311 HydrophobicContact CB-CB 4.26Å; V1272-F1311 HydrophobicContact CB-CG 4.39Å; V1272-F1311 HydrophobicContact CG1-CB 3.62Å; V1272-F1311 HydrophobicContact CG1-CG 4.27Å; L1276-F1311 WeakPolarHBondContact CD1-O 3.31Å; L1308-F1311 PolarHBondContact O-N 3.4Å; L1308-F1311 VanDerWaalsContact O-N 3.12Å; E1309-F1311 VanDerWaalsContact C-N 3.3Å; E1309-F1311 PolarHBondContact O-N 2.81Å; F1311-S1313 VanDerWaalsContact C-N 3.29Å; F1311-S1313 PolarHBondContact O-N 3.46Å |
| 1312 | L | 85 | Confident | 83.6 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -85.9 | 3.9 | -179.6 | -58 | -179.3 | 0 | 0 | 0 | 113.8 | L1276 L1296 L1308 E1309 P1310 S1314 L1315 L1323 | L1276-L1312 HydrophobicContact CD2-CD2 4.2Å; L1296-L1312 HydrophobicContact CD2-CD2 4.4Å; L1308-L1312 HydrophobicContact CD1-CD2 4.45Å; L1308-L1312 HydrophobicContact CD2-CD1 4.1Å; L1308-L1312 HydrophobicContact CG-CD1 3.9Å; L1308-L1312 HydrophobicContact CG-CD2 4.3Å; L1308-L1312 HydrophobicContact CG-CG 4Å; E1309-L1312 PolarHBondContact O-N 3.24Å; E1309-L1312 VanDerWaalsContact O-N 3.13Å; P1310-L1312 VanDerWaalsContact C-N 3.33Å; P1310-L1312 PolarHBondContact O-N 3.02Å; L1312-S1314 VanDerWaalsContact C-N 3.28Å; L1312-S1314 PolarHBondContact O-N 3.49Å; L1312-L1315 HydrophobicContact CB-CD1 4.34Å; L1312-L1315 HydrophobicContact CD2-CD1 3.87Å; L1312-L1315 PolarHBondContact O-N 2.92Å; L1312-L1323 HydrophobicContact CD1-CD2 3.87Å; L1312-L1323 HydrophobicContact CD2-CD2 3.9Å |
| 1313 | S | 78.5 | Confident | 83.6 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -64.2 | -28.5 | -179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | P1310 F1311 L1315 | P1310-S1313 WeakPolarHBondContact O-CB 3.26Å; P1310-S1313 PolarHBondContact O-OG 3.47Å; F1311-S1313 VanDerWaalsContact C-N 3.29Å; F1311-S1313 PolarHBondContact O-N 3.46Å; S1313-L1315 VanDerWaalsContact C-N 3.27Å; S1313-L1315 PolarHBondContact O-N 3.28Å |
| 1314 | S | 78.6 | Confident | 83.6 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -72.2 | -14 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | L1312 | L1312-S1314 VanDerWaalsContact C-N 3.28Å; L1312-S1314 PolarHBondContact O-N 3.49Å |
| 1315 | L | 81 | Confident | 83.7 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -82.6 | 129.1 | -172.3 | -68.9 | 178 | 0 | 0 | 0 | 113.9 | L1276 F1280 L1312 S1313 K1319 L1323 | L1276-L1315 HydrophobicContact CD2-CD1 3.85Å; L1276-L1315 HydrophobicContact CD2-CD2 3.92Å; L1276-L1315 HydrophobicContact CD2-CG 4.04Å; F1280-L1315 HydrophobicContact CD1-CD1 4.2Å; F1280-L1315 HydrophobicContact CD1-CD2 3.58Å; F1280-L1315 HydrophobicContact CE1-CD1 3.84Å; F1280-L1315 HydrophobicContact CE1-CD2 3.67Å; F1280-L1315 HydrophobicContact CE1-CG 4.38Å; L1312-L1315 HydrophobicContact CB-CD1 4.34Å; L1312-L1315 HydrophobicContact CD2-CD1 3.87Å; L1312-L1315 PolarHBondContact O-N 2.92Å; S1313-L1315 VanDerWaalsContact C-N 3.27Å; S1313-L1315 PolarHBondContact O-N 3.28Å; L1315-K1319 HydrophobicContact CD2-CB 4.41Å; L1315-K1319 HydrophobicContact CD2-CD 4.19Å; L1315-L1323 HydrophobicContact CD1-CD2 4.35Å |
| 1316 | N | 81.4 | Confident | 84.1 | Confident | 81 Ų | 81 | 68 Ų | 68 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | trans | -60.1 | 153.1 | 172.5 | 80.1 | 43.6 | 0 | 0 | 0 | 112.4 | S1318 K1319 R1320 | N1316-S1318 PolarHBondContact O-N 3.38Å; N1316-S1318 VanDerWaalsContact O-N 3.09Å; N1316-S1318 WeakPolarHBondContact OD1-CB 3.47Å; N1316-S1318 PolarHBondContact OD1-N 2.99Å; N1316-S1318 VanDerWaalsContact OD1-N 3.16Å; N1316-K1319 PolarHBondContact O-N 3.08Å; N1316-K1319 VanDerWaalsContact O-N 3.09Å; N1316-K1319 WeakPolarHBondContact OD1-CG 3.28Å; N1316-K1319 PolarHBondContact OD1-N 2.95Å; N1316-R1320 WeakPolarHBondContact O-CB 3.3Å; N1316-R1320 PolarHBondContact O-N 3.19Å | ||
| 1317 | V | 79.3 | Confident | 84.5 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -55 | -35.2 | -173.2 | 179 | 0 | 0 | 0 | 0 | 112.9 | K1321 | V1317-K1321 HydrophobicContact CG1-CD 4.16Å; V1317-K1321 WeakPolarHBondContact O-CB 3.47Å; V1317-K1321 VanDerWaalsContact O-CG 3.24Å; V1317-K1321 WeakPolarHBondContact O-CG 3.45Å; V1317-K1321 PolarHBondContact O-N 3.33Å |
| 1318 | S | 77.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71.3 | -44.8 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | N1316 K1321 L1322 | N1316-S1318 PolarHBondContact O-N 3.38Å; N1316-S1318 VanDerWaalsContact O-N 3.09Å; N1316-S1318 WeakPolarHBondContact OD1-CB 3.47Å; N1316-S1318 PolarHBondContact OD1-N 2.99Å; N1316-S1318 VanDerWaalsContact OD1-N 3.16Å; S1318-K1321 PolarHBondContact O-N 3.45Å; S1318-L1322 PolarHBondContact O-N 3.47Å |
| 1319 | K | 83 | Confident | 84.5 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.1 | -75.4 | -175.3 | -176.8 | -174.1 | 0 | 111.5 | F1280 E1281 L1315 N1316 L1322 L1323 | F1280-K1319 HydrophobicContact CD1-CD 4.41Å; F1280-K1319 HydrophobicContact CE1-CB 3.69Å; F1280-K1319 HydrophobicContact CE1-CD 4.12Å; F1280-K1319 HydrophobicContact CE1-CG 4.14Å; F1280-K1319 HydrophobicContact CZ-CB 3.77Å; F1280-K1319 HydrophobicContact CZ-CD 4.45Å; F1280-K1319 HydrophobicContact CZ-CG 4.08Å; E1281-K1319 VanDerWaalsContact CD-NZ 3.25Å; E1281-K1319 VanDerWaalsContact CG-NZ 3.33Å; E1281-K1319 IonicContact OE1-NZ 2.93Å; E1281-K1319 PolarHBondContact OE1-NZ 3.28Å; L1315-K1319 HydrophobicContact CD2-CB 4.41Å; L1315-K1319 HydrophobicContact CD2-CD 4.19Å; N1316-K1319 PolarHBondContact O-N 3.08Å; N1316-K1319 VanDerWaalsContact O-N 3.09Å; N1316-K1319 WeakPolarHBondContact OD1-CG 3.28Å; N1316-K1319 PolarHBondContact OD1-N 2.95Å; K1319-L1322 WeakPolarHBondContact O-CB 3.19Å; K1319-L1322 PolarHBondContact O-N 3.3Å; K1319-L1322 VanDerWaalsContact O-N 3.14Å; K1319-L1323 PolarHBondContact O-N 3.21Å |
| 1320 | R | 86.1 | Confident | 84.5 | Confident | 70 Ų | 70 | 68 Ų | 68 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.1 | -154.6 | 175.4 | -144.3 | -116.5 | 2.2 | 112.2 | E1309 N1316 L1322 N1324 | E1309-R1320 IonicContact OE1-CZ 3.34Å; E1309-R1320 IonicContact OE1-NH1 2.69Å; E1309-R1320 PolarHBondContact OE1-NH1 2.87Å; E1309-R1320 IonicContact OE1-NH2 2.58Å; E1309-R1320 PolarHBondContact OE1-NH2 2.69Å; E1309-R1320 IonicContact OE2-CZ 2.9Å; E1309-R1320 IonicContact OE2-NH1 2.82Å; E1309-R1320 IonicContact OE2-NH2 3.27Å; E1309-R1320 PolarHBondContact OE2-NH2 2.93Å; N1316-R1320 WeakPolarHBondContact O-CB 3.3Å; N1316-R1320 PolarHBondContact O-N 3.19Å; R1320-L1322 VanDerWaalsContact C-N 3.35Å; R1320-N1324 WeakPolarHBondContact O-CB 3.5Å; R1320-N1324 PolarHBondContact O-N 3.46Å; R1320-N1324 VanDerWaalsContact O-N 3.08Å; R1320-N1324 PolarHBondContact O-ND2 3.5Å |
| 1321 | K | 85.2 | Confident | 84.3 | Confident | 144 Ų | 144 | 70.2 Ų | 70.2 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 171.1 | -78.5 | 170.2 | -178.9 | 173.3 | 0 | 112.3 | V1317 S1318 L1325 | V1317-K1321 HydrophobicContact CG1-CD 4.16Å; V1317-K1321 WeakPolarHBondContact O-CB 3.47Å; V1317-K1321 VanDerWaalsContact O-CG 3.24Å; V1317-K1321 WeakPolarHBondContact O-CG 3.45Å; V1317-K1321 PolarHBondContact O-N 3.33Å; S1318-K1321 PolarHBondContact O-N 3.45Å; K1321-L1325 WeakPolarHBondContact O-CB 3.38Å; K1321-L1325 PolarHBondContact O-N 3.32Å; K1321-L1325 VanDerWaalsContact O-N 3.13Å |
| 1322 | L | 86.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -52.4 | 176.7 | -173.2 | 66.2 | 0 | 0 | 0 | 110.9 | F1280 S1318 K1319 R1320 N1324 L1325 Y1326 | F1280-L1322 HydrophobicContact CE2-CD2 4.37Å; S1318-L1322 PolarHBondContact O-N 3.47Å; K1319-L1322 WeakPolarHBondContact O-CB 3.19Å; K1319-L1322 PolarHBondContact O-N 3.3Å; K1319-L1322 VanDerWaalsContact O-N 3.14Å; R1320-L1322 VanDerWaalsContact C-N 3.35Å; L1322-N1324 PolarHBondContact O-N 3.04Å; L1322-L1325 WeakPolarHBondContact O-CB 3.5Å; L1322-L1325 PolarHBondContact O-N 2.91Å; L1322-Y1326 HydrophobicContact CD1-CD2 4.42Å; L1322-Y1326 HydrophobicContact CD1-CE2 3.82Å; L1322-Y1326 HydrophobicContact CG-CD2 4.46Å; L1322-Y1326 HydrophobicContact CG-CE2 4.03Å; L1322-Y1326 WeakPolarHBondContact O-CD2 3.49Å; L1322-Y1326 PolarHBondContact O-N 2.87Å |
| 1323 | L | 89.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.2 | -48.5 | 178 | 177.7 | 59.6 | 0 | 0 | 0 | 111.9 | V1293 L1296 V1297 L1312 L1315 K1319 L1325 Y1326 I1327 | V1293-L1323 HydrophobicContact CG1-CD1 4.28Å; L1296-L1323 HydrophobicContact CB-CD1 3.72Å; L1296-L1323 HydrophobicContact CB-CD2 4.39Å; L1296-L1323 HydrophobicContact CD1-CD1 4.42Å; L1296-L1323 HydrophobicContact CD1-CD2 4.25Å; V1297-L1323 HydrophobicContact CG2-CD1 4.07Å; L1312-L1323 HydrophobicContact CD1-CD2 3.87Å; L1312-L1323 HydrophobicContact CD2-CD2 3.9Å; L1315-L1323 HydrophobicContact CD1-CD2 4.35Å; K1319-L1323 PolarHBondContact O-N 3.21Å; L1323-L1325 PolarHBondContact O-N 3.11Å; L1323-Y1326 PolarHBondContact O-N 3.45Å; L1323-I1327 HydrophobicContact CD1-CD1 4.22Å; L1323-I1327 HydrophobicContact CD1-CG1 4.41Å; L1323-I1327 HydrophobicContact CG-CD1 3.93Å; L1323-I1327 PolarHBondContact O-N 2.77Å |
| 1324 | N | 88.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.3 | -29.3 | 176 | -87.7 | -85 | 0 | 0 | 0 | 113.9 | R1320 L1322 K1328 | R1320-N1324 WeakPolarHBondContact O-CB 3.5Å; R1320-N1324 PolarHBondContact O-N 3.46Å; R1320-N1324 VanDerWaalsContact O-N 3.08Å; R1320-N1324 PolarHBondContact O-ND2 3.5Å; L1322-N1324 PolarHBondContact O-N 3.04Å; N1324-K1328 WeakPolarHBondContact O-CB 3.49Å; N1324-K1328 VanDerWaalsContact O-CG 3.29Å; N1324-K1328 WeakPolarHBondContact O-CG 3.4Å; N1324-K1328 PolarHBondContact O-N 2.93Å; N1324-K1328 VanDerWaalsContact O-N 3.14Å |
| 1325 | L | 87.5 | Confident | 83.3 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.414 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 176.7 | -168.5 | 157.6 | 0 | 0 | 0 | 111.3 | K1321 L1322 L1323 R1329 | K1321-L1325 WeakPolarHBondContact O-CB 3.38Å; K1321-L1325 PolarHBondContact O-N 3.32Å; K1321-L1325 VanDerWaalsContact O-N 3.13Å; L1322-L1325 WeakPolarHBondContact O-CB 3.5Å; L1322-L1325 PolarHBondContact O-N 2.91Å; L1323-L1325 PolarHBondContact O-N 3.11Å; L1325-R1329 HydrophobicContact CD2-CG 4.5Å; L1325-R1329 WeakPolarHBondContact O-CG 3.39Å; L1325-R1329 PolarHBondContact O-N 3.36Å |
| 1326 | Y | 90.1 | Very high | 83.5 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 174.6 | -78.2 | -113.7 | 0 | 0 | 0 | 111.8 | A294 S295 V1293 L1294 L1322 L1323 K1328 R1329 D1330 | A294-Y1326 WeakPolarHBondContact O-CE1 3.39Å; S295-Y1326 VanDerWaalsContact CB-CZ 3.46Å; S295-Y1326 WeakPolarHBondContact CB-OH 3.42Å; S295-Y1326 VanDerWaalsContact OG-CE1 3.29Å; S295-Y1326 WeakPolarHBondContact OG-CE1 3.38Å; S295-Y1326 PolarHBondContact OG-OH 3.43Å; V1293-Y1326 HydrophobicContact CG1-CD1 3.62Å; V1293-Y1326 HydrophobicContact CG1-CD2 3.71Å; V1293-Y1326 HydrophobicContact CG1-CE1 3.91Å; V1293-Y1326 HydrophobicContact CG1-CE2 3.99Å; V1293-Y1326 HydrophobicContact CG1-CG 3.47Å; V1293-Y1326 VanDerWaalsContact CG1-CG 3.47Å; L1294-Y1326 HydrophobicContact CD2-CD1 4.21Å; L1294-Y1326 HydrophobicContact CD2-CE1 4.42Å; L1322-Y1326 HydrophobicContact CD1-CD2 4.42Å; L1322-Y1326 HydrophobicContact CD1-CE2 3.82Å; L1322-Y1326 HydrophobicContact CG-CD2 4.46Å; L1322-Y1326 HydrophobicContact CG-CE2 4.03Å; L1322-Y1326 WeakPolarHBondContact O-CD2 3.49Å; L1322-Y1326 PolarHBondContact O-N 2.87Å; L1323-Y1326 PolarHBondContact O-N 3.45Å; Y1326-K1328 VanDerWaalsContact C-N 3.26Å; Y1326-K1328 PolarHBondContact O-N 3.04Å; Y1326-R1329 WeakPolarHBondContact O-CA 3.42Å; Y1326-R1329 WeakPolarHBondContact O-CB 3.49Å; Y1326-R1329 PolarHBondContact O-N 3.28Å; Y1326-D1330 PolarHBondContact O-N 3.09Å |
| 1327 | I | 90.3 | Very high | 83.6 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -53 | -46.5 | 173.8 | -68.6 | 167.4 | 0 | 0 | 0 | 110.5 | V1297 H1300 L1323 R1329 D1330 Q1331 | V1297-I1327 HydrophobicContact CG2-CG1 3.98Å; H1300-I1327 HydrophobicContact CB-CD1 4.21Å; H1300-I1327 HydrophobicContact CB-CG1 4.37Å; H1300-I1327 WeakPolarHBondContact CE1-CG2 3.41Å; L1323-I1327 HydrophobicContact CD1-CD1 4.22Å; L1323-I1327 HydrophobicContact CD1-CG1 4.41Å; L1323-I1327 HydrophobicContact CG-CD1 3.93Å; L1323-I1327 PolarHBondContact O-N 2.77Å; I1327-R1329 VanDerWaalsContact C-N 3.28Å; I1327-R1329 PolarHBondContact O-N 2.96Å; I1327-D1330 PolarHBondContact O-N 2.81Å; I1327-Q1331 WeakPolarHBondContact O-CB 3.38Å; I1327-Q1331 VanDerWaalsContact O-CG 3.29Å; I1327-Q1331 WeakPolarHBondContact O-CG 3.29Å; I1327-Q1331 PolarHBondContact O-N 2.87Å |
| 1328 | K | 86 | Confident | 83.9 | Confident | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.2 | -23.5 | 176.6 | -75.5 | 177.1 | -179.3 | -177.2 | 0 | 114.7 | N1324 Y1326 Q1332 | N1324-K1328 WeakPolarHBondContact O-CB 3.49Å; N1324-K1328 VanDerWaalsContact O-CG 3.29Å; N1324-K1328 WeakPolarHBondContact O-CG 3.4Å; N1324-K1328 PolarHBondContact O-N 2.93Å; N1324-K1328 VanDerWaalsContact O-N 3.14Å; Y1326-K1328 VanDerWaalsContact C-N 3.26Å; Y1326-K1328 PolarHBondContact O-N 3.04Å; K1328-Q1332 VanDerWaalsContact O-CD 3.3Å; K1328-Q1332 WeakPolarHBondContact O-CG 3.17Å |
| 1329 | R | 86 | Confident | 84.3 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 39% | 0.389 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -78.4 | -44.6 | 173.5 | -80.5 | 176.6 | 170.1 | 160.9 | -0.5 | 110.5 | L1325 Y1326 I1327 Q1331 Q1332 Q1333 | L1325-R1329 HydrophobicContact CD2-CG 4.5Å; L1325-R1329 WeakPolarHBondContact O-CG 3.39Å; L1325-R1329 PolarHBondContact O-N 3.36Å; Y1326-R1329 WeakPolarHBondContact O-CA 3.42Å; Y1326-R1329 WeakPolarHBondContact O-CB 3.49Å; Y1326-R1329 PolarHBondContact O-N 3.28Å; I1327-R1329 VanDerWaalsContact C-N 3.28Å; I1327-R1329 PolarHBondContact O-N 2.96Å; R1329-Q1331 VanDerWaalsContact C-N 3.33Å; R1329-Q1331 PolarHBondContact O-N 3.39Å; R1329-Q1332 CarbonylContact O-C 3.57Å; R1329-Q1332 WeakPolarHBondContact O-CA 3.24Å; R1329-Q1332 WeakPolarHBondContact O-CB 3.5Å; R1329-Q1332 PolarHBondContact O-N 3.05Å; R1329-Q1333 WeakPolarHBondContact O-CB 3.44Å; R1329-Q1333 WeakPolarHBondContact O-CG 3.27Å; R1329-Q1333 PolarHBondContact O-N 2.95Å; R1329-Q1333 VanDerWaalsContact O-N 3.11Å |
| 1330 | D | 83.9 | Confident | 84.4 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.4 | -165.7 | 68.8 | 0 | 0 | 0 | 111.3 | V1297 Y1326 I1327 Q1332 Q1333 | V1297-D1330 HydrophobicContact CG1-CB 3.59Å; Y1326-D1330 PolarHBondContact O-N 3.09Å; I1327-D1330 PolarHBondContact O-N 2.81Å; D1330-Q1332 PolarHBondContact O-N 3.05Å; D1330-Q1332 VanDerWaalsContact O-N 3.17Å; D1330-Q1333 WeakPolarHBondContact O-CB 3.46Å; D1330-Q1333 PolarHBondContact O-N 2.94Å |
| 1331 | Q | 80.4 | Confident | 84.2 | Confident | 131 Ų | 131 | 83.3 Ų | 83.3 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.5 | 172.6 | -70.2 | 174.1 | -23.8 | 0 | 0 | 115.4 | I1327 R1329 | I1327-Q1331 WeakPolarHBondContact O-CB 3.38Å; I1327-Q1331 VanDerWaalsContact O-CG 3.29Å; I1327-Q1331 WeakPolarHBondContact O-CG 3.29Å; I1327-Q1331 PolarHBondContact O-N 2.87Å; R1329-Q1331 VanDerWaalsContact C-N 3.33Å; R1329-Q1331 PolarHBondContact O-N 3.39Å |
| 1332 | Q | 74.1 | Confident | 84.1 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -7 | 172.1 | -73 | 171.9 | 4.9 | 0 | 0 | 112.2 | R292 K1328 R1329 D1330 | R292-Q1332 PolarHBondContact NH1-O 3.34Å; R292-Q1332 VanDerWaalsContact NH1-O 3.1Å; R292-Q1332 PolarHBondContact NH2-O 3.5Å; K1328-Q1332 VanDerWaalsContact O-CD 3.3Å; K1328-Q1332 WeakPolarHBondContact O-CG 3.17Å; R1329-Q1332 CarbonylContact O-C 3.57Å; R1329-Q1332 WeakPolarHBondContact O-CA 3.24Å; R1329-Q1332 WeakPolarHBondContact O-CB 3.5Å; R1329-Q1332 PolarHBondContact O-N 3.05Å; D1330-Q1332 PolarHBondContact O-N 3.05Å; D1330-Q1332 VanDerWaalsContact O-N 3.17Å |
| 1333 | Q | 66.6 | Low | 83.9 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | trans | -94.9 | 0 | -171 | -82.5 | -176.4 | -29.1 | 0 | 0 | 112.4 | R292 R1329 D1330 | R292-Q1333 HydrophobicContact CB-CB 3.82Å; R292-Q1333 HydrophobicContact CB-CG 3.71Å; R292-Q1333 WeakPolarHBondContact CD-O 3.47Å; R292-Q1333 HydrophobicContact CG-CB 4.23Å; R292-Q1333 HydrophobicContact CG-CG 3.85Å; R292-Q1333 PolarHBondContact NH1-O 3.37Å; R292-Q1333 PolarHBondContact O-OE1 3.4Å; R1329-Q1333 WeakPolarHBondContact O-CB 3.44Å; R1329-Q1333 WeakPolarHBondContact O-CG 3.27Å; R1329-Q1333 PolarHBondContact O-N 2.95Å; R1329-Q1333 VanDerWaalsContact O-N 3.11Å; D1330-Q1333 WeakPolarHBondContact O-CB 3.46Å; D1330-Q1333 PolarHBondContact O-N 2.94Å |
Retrieved 1,333 of 1,333 residues in 1009.4 ms
(Link to these results)